USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -171:sc= 0.158 (180deg=0.0547) USER MOD Set 2.1: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot -110:sc= -0.79 USER MOD Set 3.2: A 14 MET CE :methyl 134:sc= -0.266 (180deg=-2.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 121:sc= 0.784 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -2.94! K(o=-2.9!,f=-0.45) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -100:sc= -0.752 USER MOD Single : A 70 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.057) USER MOD Single : A 72 SER OG : rot -49:sc= 0.268 USER MOD Single : A 74 TYR OH : rot 150:sc= 1.14 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -127:sc= -0.343 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -119:sc= -0.509 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.899 -1.054 -0.420 1.00 63.23 N ATOM 2 CA MET A 1 1.799 -0.199 -1.186 1.00 23.33 C ATOM 3 C MET A 1 3.253 -0.603 -0.963 1.00 23.11 C ATOM 4 O MET A 1 3.687 -0.793 0.174 1.00 41.32 O ATOM 5 CB MET A 1 1.599 1.266 -0.796 1.00 4.51 C ATOM 6 CG MET A 1 1.923 2.243 -1.915 1.00 61.43 C ATOM 7 SD MET A 1 1.361 3.919 -1.559 1.00 62.45 S ATOM 8 CE MET A 1 2.885 4.837 -1.764 1.00 3.13 C ATOM 0 H1 MET A 1 -0.085 -0.761 -0.587 1.00 63.23 H new ATOM 0 H2 MET A 1 1.021 -2.043 -0.719 1.00 63.23 H new ATOM 0 H3 MET A 1 1.118 -0.969 0.593 1.00 63.23 H new ATOM 0 HA MET A 1 1.565 -0.321 -2.243 1.00 23.33 H new ATOM 0 HB2 MET A 1 0.565 1.413 -0.485 1.00 4.51 H new ATOM 0 HB3 MET A 1 2.226 1.493 0.066 1.00 4.51 H new ATOM 0 HG2 MET A 1 3.000 2.253 -2.083 1.00 61.43 H new ATOM 0 HG3 MET A 1 1.460 1.897 -2.839 1.00 61.43 H new ATOM 0 HE1 MET A 1 2.701 5.895 -1.577 1.00 3.13 H new ATOM 0 HE2 MET A 1 3.630 4.468 -1.059 1.00 3.13 H new ATOM 0 HE3 MET A 1 3.254 4.708 -2.782 1.00 3.13 H new ATOM 18 N ILE A 2 4.000 -0.733 -2.054 1.00 24.10 N ATOM 19 CA ILE A 2 5.405 -1.114 -1.976 1.00 43.43 C ATOM 20 C ILE A 2 6.250 0.017 -1.400 1.00 1.53 C ATOM 21 O ILE A 2 6.169 1.159 -1.853 1.00 4.31 O ATOM 22 CB ILE A 2 5.961 -1.501 -3.359 1.00 41.45 C ATOM 23 CG1 ILE A 2 5.130 -2.632 -3.969 1.00 1.50 C ATOM 24 CG2 ILE A 2 7.422 -1.910 -3.248 1.00 30.44 C ATOM 25 CD1 ILE A 2 5.201 -3.924 -3.186 1.00 5.43 C ATOM 0 H ILE A 2 3.656 -0.580 -3.002 1.00 24.10 H new ATOM 0 HA ILE A 2 5.461 -1.979 -1.316 1.00 43.43 H new ATOM 0 HB ILE A 2 5.896 -0.633 -4.015 1.00 41.45 H new ATOM 0 HG12 ILE A 2 4.090 -2.313 -4.035 1.00 1.50 H new ATOM 0 HG13 ILE A 2 5.472 -2.815 -4.988 1.00 1.50 H new ATOM 0 HG21 ILE A 2 7.800 -2.181 -4.234 1.00 30.44 H new ATOM 0 HG22 ILE A 2 8.004 -1.078 -2.852 1.00 30.44 H new ATOM 0 HG23 ILE A 2 7.510 -2.765 -2.578 1.00 30.44 H new ATOM 0 HD11 ILE A 2 4.588 -4.681 -3.676 1.00 5.43 H new ATOM 0 HD12 ILE A 2 6.235 -4.267 -3.142 1.00 5.43 H new ATOM 0 HD13 ILE A 2 4.831 -3.757 -2.174 1.00 5.43 H new ATOM 37 N ARG A 3 7.062 -0.308 -0.399 1.00 35.41 N ATOM 38 CA ARG A 3 7.922 0.680 0.240 1.00 43.04 C ATOM 39 C ARG A 3 9.393 0.313 0.065 1.00 2.53 C ATOM 40 O ARG A 3 10.218 1.158 -0.288 1.00 33.44 O ATOM 41 CB ARG A 3 7.587 0.794 1.728 1.00 40.42 C ATOM 42 CG ARG A 3 6.509 1.821 2.032 1.00 54.30 C ATOM 43 CD ARG A 3 5.116 1.229 1.878 1.00 3.31 C ATOM 44 NE ARG A 3 4.099 2.045 2.535 1.00 12.50 N ATOM 45 CZ ARG A 3 2.884 1.602 2.839 1.00 62.32 C ATOM 46 NH1 ARG A 3 2.538 0.356 2.547 1.00 72.32 N ATOM 47 NH2 ARG A 3 2.013 2.405 3.437 1.00 64.14 N ATOM 0 H ARG A 3 7.142 -1.249 -0.013 1.00 35.41 H new ATOM 0 HA ARG A 3 7.745 1.643 -0.239 1.00 43.04 H new ATOM 0 HB2 ARG A 3 7.263 -0.180 2.095 1.00 40.42 H new ATOM 0 HB3 ARG A 3 8.492 1.056 2.277 1.00 40.42 H new ATOM 0 HG2 ARG A 3 6.637 2.194 3.048 1.00 54.30 H new ATOM 0 HG3 ARG A 3 6.619 2.674 1.363 1.00 54.30 H new ATOM 0 HD2 ARG A 3 4.877 1.135 0.819 1.00 3.31 H new ATOM 0 HD3 ARG A 3 5.101 0.223 2.298 1.00 3.31 H new ATOM 0 HE ARG A 3 4.334 3.008 2.774 1.00 12.50 H new ATOM 0 HH11 ARG A 3 3.205 -0.264 2.088 1.00 72.32 H new ATOM 0 HH12 ARG A 3 1.605 0.018 2.781 1.00 72.32 H new ATOM 0 HH21 ARG A 3 2.276 3.364 3.664 1.00 64.14 H new ATOM 0 HH22 ARG A 3 1.081 2.063 3.670 1.00 64.14 H new ATOM 61 N THR A 4 9.716 -0.952 0.316 1.00 44.43 N ATOM 62 CA THR A 4 11.087 -1.430 0.188 1.00 1.14 C ATOM 63 C THR A 4 11.133 -2.792 -0.494 1.00 20.31 C ATOM 64 O THR A 4 10.122 -3.490 -0.576 1.00 32.14 O ATOM 65 CB THR A 4 11.776 -1.533 1.562 1.00 30.03 C ATOM 66 OG1 THR A 4 11.129 -2.530 2.361 1.00 13.43 O ATOM 67 CG2 THR A 4 11.743 -0.195 2.286 1.00 31.40 C ATOM 0 H THR A 4 9.047 -1.664 0.609 1.00 44.43 H new ATOM 0 HA THR A 4 11.620 -0.702 -0.424 1.00 1.14 H new ATOM 0 HB THR A 4 12.816 -1.816 1.402 1.00 30.03 H new ATOM 0 HG1 THR A 4 11.777 -3.221 2.610 1.00 13.43 H new ATOM 0 HG21 THR A 4 12.235 -0.293 3.254 1.00 31.40 H new ATOM 0 HG22 THR A 4 12.262 0.555 1.689 1.00 31.40 H new ATOM 0 HG23 THR A 4 10.708 0.113 2.435 1.00 31.40 H new ATOM 75 N ILE A 5 12.311 -3.165 -0.982 1.00 24.15 N ATOM 76 CA ILE A 5 12.488 -4.446 -1.655 1.00 43.42 C ATOM 77 C ILE A 5 13.848 -5.055 -1.330 1.00 11.31 C ATOM 78 O ILE A 5 14.831 -4.338 -1.136 1.00 30.43 O ATOM 79 CB ILE A 5 12.355 -4.301 -3.183 1.00 22.23 C ATOM 80 CG1 ILE A 5 11.034 -3.617 -3.539 1.00 73.30 C ATOM 81 CG2 ILE A 5 12.451 -5.663 -3.854 1.00 32.22 C ATOM 82 CD1 ILE A 5 10.898 -3.294 -5.011 1.00 21.15 C ATOM 0 H ILE A 5 13.157 -2.598 -0.924 1.00 24.15 H new ATOM 0 HA ILE A 5 11.701 -5.106 -1.290 1.00 43.42 H new ATOM 0 HB ILE A 5 13.173 -3.680 -3.547 1.00 22.23 H new ATOM 0 HG12 ILE A 5 10.208 -4.262 -3.239 1.00 73.30 H new ATOM 0 HG13 ILE A 5 10.945 -2.696 -2.963 1.00 73.30 H new ATOM 0 HG21 ILE A 5 12.355 -5.544 -4.933 1.00 32.22 H new ATOM 0 HG22 ILE A 5 13.415 -6.115 -3.623 1.00 32.22 H new ATOM 0 HG23 ILE A 5 11.651 -6.306 -3.487 1.00 32.22 H new ATOM 0 HD11 ILE A 5 9.938 -2.811 -5.190 1.00 21.15 H new ATOM 0 HD12 ILE A 5 11.703 -2.624 -5.312 1.00 21.15 H new ATOM 0 HD13 ILE A 5 10.955 -4.214 -5.592 1.00 21.15 H new ATOM 94 N LEU A 6 13.897 -6.381 -1.274 1.00 4.03 N ATOM 95 CA LEU A 6 15.138 -7.088 -0.974 1.00 34.21 C ATOM 96 C LEU A 6 15.416 -8.166 -2.017 1.00 51.31 C ATOM 97 O LEU A 6 14.520 -8.914 -2.405 1.00 35.53 O ATOM 98 CB LEU A 6 15.065 -7.717 0.419 1.00 64.14 C ATOM 99 CG LEU A 6 16.369 -7.731 1.217 1.00 23.22 C ATOM 100 CD1 LEU A 6 17.445 -8.504 0.470 1.00 74.42 C ATOM 101 CD2 LEU A 6 16.834 -6.311 1.505 1.00 13.11 C ATOM 0 H LEU A 6 13.093 -6.988 -1.432 1.00 4.03 H new ATOM 0 HA LEU A 6 15.954 -6.366 -0.998 1.00 34.21 H new ATOM 0 HB2 LEU A 6 14.313 -7.182 0.999 1.00 64.14 H new ATOM 0 HB3 LEU A 6 14.715 -8.744 0.314 1.00 64.14 H new ATOM 0 HG LEU A 6 16.184 -8.232 2.167 1.00 23.22 H new ATOM 0 HD11 LEU A 6 18.365 -8.503 1.054 1.00 74.42 H new ATOM 0 HD12 LEU A 6 17.114 -9.531 0.316 1.00 74.42 H new ATOM 0 HD13 LEU A 6 17.627 -8.033 -0.496 1.00 74.42 H new ATOM 0 HD21 LEU A 6 17.763 -6.341 2.074 1.00 13.11 H new ATOM 0 HD22 LEU A 6 17.001 -5.785 0.565 1.00 13.11 H new ATOM 0 HD23 LEU A 6 16.072 -5.789 2.083 1.00 13.11 H new ATOM 113 N ALA A 7 16.665 -8.239 -2.466 1.00 34.00 N ATOM 114 CA ALA A 7 17.062 -9.228 -3.461 1.00 0.52 C ATOM 115 C ALA A 7 18.345 -9.939 -3.045 1.00 61.24 C ATOM 116 O ALA A 7 19.232 -9.336 -2.441 1.00 25.30 O ATOM 117 CB ALA A 7 17.239 -8.567 -4.820 1.00 11.11 C ATOM 0 H ALA A 7 17.419 -7.625 -2.157 1.00 34.00 H new ATOM 0 HA ALA A 7 16.271 -9.974 -3.533 1.00 0.52 H new ATOM 0 HB1 ALA A 7 17.535 -9.317 -5.553 1.00 11.11 H new ATOM 0 HB2 ALA A 7 16.298 -8.110 -5.128 1.00 11.11 H new ATOM 0 HB3 ALA A 7 18.010 -7.800 -4.754 1.00 11.11 H new ATOM 123 N ILE A 8 18.436 -11.224 -3.373 1.00 1.25 N ATOM 124 CA ILE A 8 19.611 -12.017 -3.033 1.00 42.43 C ATOM 125 C ILE A 8 19.969 -12.979 -4.160 1.00 61.25 C ATOM 126 O ILE A 8 19.226 -13.917 -4.449 1.00 33.30 O ATOM 127 CB ILE A 8 19.394 -12.820 -1.737 1.00 54.42 C ATOM 128 CG1 ILE A 8 19.026 -11.881 -0.586 1.00 31.52 C ATOM 129 CG2 ILE A 8 20.640 -13.622 -1.396 1.00 61.50 C ATOM 130 CD1 ILE A 8 17.535 -11.716 -0.394 1.00 54.44 C ATOM 0 H ILE A 8 17.711 -11.738 -3.873 1.00 1.25 H new ATOM 0 HA ILE A 8 20.432 -11.316 -2.882 1.00 42.43 H new ATOM 0 HB ILE A 8 18.569 -13.516 -1.891 1.00 54.42 H new ATOM 0 HG12 ILE A 8 19.463 -12.262 0.337 1.00 31.52 H new ATOM 0 HG13 ILE A 8 19.471 -10.903 -0.769 1.00 31.52 H new ATOM 0 HG21 ILE A 8 20.471 -14.184 -0.478 1.00 61.50 H new ATOM 0 HG22 ILE A 8 20.861 -14.313 -2.209 1.00 61.50 H new ATOM 0 HG23 ILE A 8 21.482 -12.944 -1.257 1.00 61.50 H new ATOM 0 HD11 ILE A 8 17.348 -11.037 0.438 1.00 54.44 H new ATOM 0 HD12 ILE A 8 17.094 -11.306 -1.303 1.00 54.44 H new ATOM 0 HD13 ILE A 8 17.086 -12.686 -0.179 1.00 54.44 H new ATOM 142 N ASP A 9 21.113 -12.742 -4.793 1.00 53.51 N ATOM 143 CA ASP A 9 21.572 -13.589 -5.887 1.00 74.25 C ATOM 144 C ASP A 9 23.094 -13.691 -5.894 1.00 73.23 C ATOM 145 O ASP A 9 23.776 -12.996 -5.142 1.00 13.54 O ATOM 146 CB ASP A 9 21.079 -13.040 -7.227 1.00 71.33 C ATOM 147 CG ASP A 9 19.577 -13.170 -7.389 1.00 0.42 C ATOM 148 OD1 ASP A 9 19.139 -13.973 -8.238 1.00 61.13 O ATOM 149 OD2 ASP A 9 18.839 -12.467 -6.666 1.00 45.43 O ATOM 0 H ASP A 9 21.740 -11.970 -4.567 1.00 53.51 H new ATOM 0 HA ASP A 9 21.160 -14.587 -5.738 1.00 74.25 H new ATOM 0 HB2 ASP A 9 21.361 -11.991 -7.312 1.00 71.33 H new ATOM 0 HB3 ASP A 9 21.576 -13.571 -8.039 1.00 71.33 H new ATOM 154 N ASP A 10 23.619 -14.563 -6.748 1.00 22.02 N ATOM 155 CA ASP A 10 25.061 -14.756 -6.853 1.00 32.53 C ATOM 156 C ASP A 10 25.585 -14.227 -8.184 1.00 13.42 C ATOM 157 O ASP A 10 25.835 -14.994 -9.114 1.00 15.35 O ATOM 158 CB ASP A 10 25.410 -16.238 -6.706 1.00 70.45 C ATOM 159 CG ASP A 10 25.877 -16.588 -5.307 1.00 44.32 C ATOM 160 OD1 ASP A 10 27.080 -16.410 -5.022 1.00 60.33 O ATOM 161 OD2 ASP A 10 25.041 -17.039 -4.497 1.00 73.22 O ATOM 0 H ASP A 10 23.068 -15.147 -7.377 1.00 22.02 H new ATOM 0 HA ASP A 10 25.537 -14.196 -6.048 1.00 32.53 H new ATOM 0 HB2 ASP A 10 24.536 -16.840 -6.955 1.00 70.45 H new ATOM 0 HB3 ASP A 10 26.190 -16.497 -7.422 1.00 70.45 H new ATOM 166 N SER A 11 25.748 -12.910 -8.268 1.00 74.11 N ATOM 167 CA SER A 11 26.237 -12.277 -9.487 1.00 40.01 C ATOM 168 C SER A 11 26.333 -10.764 -9.313 1.00 22.34 C ATOM 169 O SER A 11 25.320 -10.078 -9.182 1.00 42.01 O ATOM 170 CB SER A 11 25.317 -12.609 -10.664 1.00 3.51 C ATOM 171 OG SER A 11 23.982 -12.797 -10.230 1.00 34.12 O ATOM 0 H SER A 11 25.549 -12.261 -7.507 1.00 74.11 H new ATOM 0 HA SER A 11 27.234 -12.666 -9.694 1.00 40.01 H new ATOM 0 HB2 SER A 11 25.354 -11.803 -11.397 1.00 3.51 H new ATOM 0 HB3 SER A 11 25.671 -13.511 -11.163 1.00 3.51 H new ATOM 0 HG SER A 11 23.741 -13.743 -10.313 1.00 34.12 H new ATOM 177 N ALA A 12 27.559 -10.252 -9.311 1.00 65.04 N ATOM 178 CA ALA A 12 27.789 -8.821 -9.155 1.00 65.21 C ATOM 179 C ALA A 12 26.943 -8.019 -10.138 1.00 3.44 C ATOM 180 O ALA A 12 26.233 -7.091 -9.749 1.00 32.04 O ATOM 181 CB ALA A 12 29.265 -8.500 -9.342 1.00 20.33 C ATOM 0 H ALA A 12 28.408 -10.807 -9.416 1.00 65.04 H new ATOM 0 HA ALA A 12 27.492 -8.538 -8.145 1.00 65.21 H new ATOM 0 HB1 ALA A 12 29.422 -7.428 -9.223 1.00 20.33 H new ATOM 0 HB2 ALA A 12 29.852 -9.038 -8.597 1.00 20.33 H new ATOM 0 HB3 ALA A 12 29.580 -8.804 -10.340 1.00 20.33 H new ATOM 187 N THR A 13 27.024 -8.381 -11.414 1.00 41.54 N ATOM 188 CA THR A 13 26.267 -7.693 -12.453 1.00 64.00 C ATOM 189 C THR A 13 24.777 -7.687 -12.134 1.00 53.14 C ATOM 190 O THR A 13 24.073 -6.722 -12.431 1.00 41.20 O ATOM 191 CB THR A 13 26.483 -8.346 -13.831 1.00 65.31 C ATOM 192 OG1 THR A 13 27.871 -8.300 -14.183 1.00 32.41 O ATOM 193 CG2 THR A 13 25.661 -7.641 -14.899 1.00 72.41 C ATOM 0 H THR A 13 27.606 -9.147 -11.753 1.00 41.54 H new ATOM 0 HA THR A 13 26.633 -6.667 -12.484 1.00 64.00 H new ATOM 0 HB THR A 13 26.158 -9.385 -13.771 1.00 65.31 H new ATOM 0 HG1 THR A 13 28.000 -8.719 -15.060 1.00 32.41 H new ATOM 0 HG21 THR A 13 25.830 -8.120 -15.863 1.00 72.41 H new ATOM 0 HG22 THR A 13 24.603 -7.703 -14.644 1.00 72.41 H new ATOM 0 HG23 THR A 13 25.960 -6.594 -14.956 1.00 72.41 H new ATOM 201 N MET A 14 24.301 -8.770 -11.528 1.00 5.10 N ATOM 202 CA MET A 14 22.893 -8.887 -11.167 1.00 63.44 C ATOM 203 C MET A 14 22.544 -7.939 -10.025 1.00 31.44 C ATOM 204 O MET A 14 21.568 -7.193 -10.101 1.00 73.23 O ATOM 205 CB MET A 14 22.565 -10.328 -10.769 1.00 43.32 C ATOM 206 CG MET A 14 21.074 -10.609 -10.681 1.00 21.04 C ATOM 207 SD MET A 14 20.460 -11.553 -12.089 1.00 5.10 S ATOM 208 CE MET A 14 21.183 -13.159 -11.761 1.00 42.42 C ATOM 0 H MET A 14 24.870 -9.579 -11.277 1.00 5.10 H new ATOM 0 HA MET A 14 22.296 -8.613 -12.037 1.00 63.44 H new ATOM 0 HB2 MET A 14 23.012 -11.008 -11.494 1.00 43.32 H new ATOM 0 HB3 MET A 14 23.025 -10.544 -9.804 1.00 43.32 H new ATOM 0 HG2 MET A 14 20.865 -11.157 -9.762 1.00 21.04 H new ATOM 0 HG3 MET A 14 20.533 -9.665 -10.618 1.00 21.04 H new ATOM 0 HE1 MET A 14 20.428 -13.933 -11.898 1.00 42.42 H new ATOM 0 HE2 MET A 14 22.010 -13.333 -12.449 1.00 42.42 H new ATOM 0 HE3 MET A 14 21.551 -13.190 -10.736 1.00 42.42 H new ATOM 218 N ARG A 15 23.347 -7.974 -8.966 1.00 73.50 N ATOM 219 CA ARG A 15 23.121 -7.119 -7.807 1.00 74.41 C ATOM 220 C ARG A 15 23.038 -5.653 -8.221 1.00 71.11 C ATOM 221 O ARG A 15 22.291 -4.873 -7.632 1.00 11.32 O ATOM 222 CB ARG A 15 24.240 -7.308 -6.781 1.00 74.32 C ATOM 223 CG ARG A 15 23.914 -8.332 -5.706 1.00 72.32 C ATOM 224 CD ARG A 15 23.605 -9.694 -6.309 1.00 4.10 C ATOM 225 NE ARG A 15 22.216 -9.796 -6.748 1.00 22.34 N ATOM 226 CZ ARG A 15 21.182 -9.816 -5.914 1.00 51.53 C ATOM 227 NH1 ARG A 15 21.379 -9.739 -4.605 1.00 63.25 N ATOM 228 NH2 ARG A 15 19.947 -9.911 -6.390 1.00 12.30 N ATOM 0 H ARG A 15 24.160 -8.585 -8.887 1.00 73.50 H new ATOM 0 HA ARG A 15 22.171 -7.405 -7.355 1.00 74.41 H new ATOM 0 HB2 ARG A 15 25.149 -7.615 -7.299 1.00 74.32 H new ATOM 0 HB3 ARG A 15 24.452 -6.350 -6.306 1.00 74.32 H new ATOM 0 HG2 ARG A 15 24.755 -8.420 -5.018 1.00 72.32 H new ATOM 0 HG3 ARG A 15 23.060 -7.989 -5.122 1.00 72.32 H new ATOM 0 HD2 ARG A 15 24.267 -9.874 -7.156 1.00 4.10 H new ATOM 0 HD3 ARG A 15 23.811 -10.471 -5.573 1.00 4.10 H new ATOM 0 HE ARG A 15 22.030 -9.855 -7.749 1.00 22.34 H new ATOM 0 HH11 ARG A 15 22.327 -9.664 -4.235 1.00 63.25 H new ATOM 0 HH12 ARG A 15 20.583 -9.755 -3.968 1.00 63.25 H new ATOM 0 HH21 ARG A 15 19.791 -9.969 -7.396 1.00 12.30 H new ATOM 0 HH22 ARG A 15 19.153 -9.926 -5.749 1.00 12.30 H new ATOM 242 N ALA A 16 23.811 -5.286 -9.238 1.00 71.21 N ATOM 243 CA ALA A 16 23.824 -3.915 -9.732 1.00 11.22 C ATOM 244 C ALA A 16 22.658 -3.662 -10.681 1.00 15.01 C ATOM 245 O ALA A 16 22.092 -2.568 -10.708 1.00 34.20 O ATOM 246 CB ALA A 16 25.145 -3.616 -10.425 1.00 1.13 C ATOM 0 H ALA A 16 24.436 -5.920 -9.736 1.00 71.21 H new ATOM 0 HA ALA A 16 23.715 -3.247 -8.878 1.00 11.22 H new ATOM 0 HB1 ALA A 16 25.141 -2.589 -10.789 1.00 1.13 H new ATOM 0 HB2 ALA A 16 25.964 -3.747 -9.718 1.00 1.13 H new ATOM 0 HB3 ALA A 16 25.278 -4.298 -11.265 1.00 1.13 H new ATOM 252 N LEU A 17 22.303 -4.679 -11.459 1.00 11.32 N ATOM 253 CA LEU A 17 21.203 -4.566 -12.411 1.00 23.41 C ATOM 254 C LEU A 17 19.860 -4.521 -11.689 1.00 24.31 C ATOM 255 O LEU A 17 19.132 -3.531 -11.770 1.00 64.05 O ATOM 256 CB LEU A 17 21.229 -5.741 -13.391 1.00 2.41 C ATOM 257 CG LEU A 17 20.028 -5.858 -14.329 1.00 73.33 C ATOM 258 CD1 LEU A 17 20.120 -4.830 -15.446 1.00 70.21 C ATOM 259 CD2 LEU A 17 19.935 -7.265 -14.903 1.00 13.31 C ATOM 0 H LEU A 17 22.761 -5.591 -11.449 1.00 11.32 H new ATOM 0 HA LEU A 17 21.328 -3.635 -12.965 1.00 23.41 H new ATOM 0 HB2 LEU A 17 22.132 -5.663 -13.997 1.00 2.41 H new ATOM 0 HB3 LEU A 17 21.309 -6.665 -12.818 1.00 2.41 H new ATOM 0 HG LEU A 17 19.123 -5.660 -13.755 1.00 73.33 H new ATOM 0 HD11 LEU A 17 19.256 -4.929 -16.103 1.00 70.21 H new ATOM 0 HD12 LEU A 17 20.137 -3.828 -15.018 1.00 70.21 H new ATOM 0 HD13 LEU A 17 21.033 -4.996 -16.019 1.00 70.21 H new ATOM 0 HD21 LEU A 17 19.074 -7.330 -15.569 1.00 13.31 H new ATOM 0 HD22 LEU A 17 20.843 -7.491 -15.461 1.00 13.31 H new ATOM 0 HD23 LEU A 17 19.821 -7.983 -14.091 1.00 13.31 H new ATOM 271 N LEU A 18 19.539 -5.598 -10.981 1.00 31.31 N ATOM 272 CA LEU A 18 18.284 -5.681 -10.242 1.00 30.53 C ATOM 273 C LEU A 18 18.102 -4.466 -9.339 1.00 3.43 C ATOM 274 O LEU A 18 16.986 -3.981 -9.149 1.00 42.15 O ATOM 275 CB LEU A 18 18.245 -6.962 -9.406 1.00 25.01 C ATOM 276 CG LEU A 18 18.146 -8.272 -10.189 1.00 15.33 C ATOM 277 CD1 LEU A 18 18.085 -9.458 -9.239 1.00 64.00 C ATOM 278 CD2 LEU A 18 16.929 -8.255 -11.102 1.00 73.44 C ATOM 0 H LEU A 18 20.130 -6.426 -10.903 1.00 31.31 H new ATOM 0 HA LEU A 18 17.467 -5.700 -10.964 1.00 30.53 H new ATOM 0 HB2 LEU A 18 19.143 -6.997 -8.790 1.00 25.01 H new ATOM 0 HB3 LEU A 18 17.395 -6.903 -8.727 1.00 25.01 H new ATOM 0 HG LEU A 18 19.038 -8.373 -10.807 1.00 15.33 H new ATOM 0 HD11 LEU A 18 18.015 -10.381 -9.814 1.00 64.00 H new ATOM 0 HD12 LEU A 18 18.986 -9.480 -8.626 1.00 64.00 H new ATOM 0 HD13 LEU A 18 17.210 -9.364 -8.595 1.00 64.00 H new ATOM 0 HD21 LEU A 18 16.873 -9.195 -11.652 1.00 73.44 H new ATOM 0 HD22 LEU A 18 16.027 -8.131 -10.503 1.00 73.44 H new ATOM 0 HD23 LEU A 18 17.014 -7.427 -11.806 1.00 73.44 H new ATOM 290 N HIS A 19 19.207 -3.976 -8.785 1.00 0.12 N ATOM 291 CA HIS A 19 19.170 -2.814 -7.904 1.00 21.24 C ATOM 292 C HIS A 19 18.778 -1.558 -8.676 1.00 71.43 C ATOM 293 O HIS A 19 18.049 -0.708 -8.168 1.00 13.52 O ATOM 294 CB HIS A 19 20.530 -2.612 -7.235 1.00 10.43 C ATOM 295 CG HIS A 19 20.585 -1.411 -6.341 1.00 50.11 C ATOM 296 ND1 HIS A 19 21.633 -0.515 -6.348 1.00 22.11 N ATOM 297 CD2 HIS A 19 19.712 -0.959 -5.410 1.00 63.51 C ATOM 298 CE1 HIS A 19 21.404 0.434 -5.459 1.00 12.54 C ATOM 299 NE2 HIS A 19 20.244 0.188 -4.876 1.00 42.30 N ATOM 0 H HIS A 19 20.138 -4.365 -8.931 1.00 0.12 H new ATOM 0 HA HIS A 19 18.418 -2.995 -7.136 1.00 21.24 H new ATOM 0 HB2 HIS A 19 20.775 -3.500 -6.652 1.00 10.43 H new ATOM 0 HB3 HIS A 19 21.294 -2.516 -8.006 1.00 10.43 H new ATOM 0 HD2 HIS A 19 18.772 -1.416 -5.138 1.00 63.51 H new ATOM 0 HE1 HIS A 19 22.054 1.269 -5.245 1.00 12.54 H new ATOM 0 HE2 HIS A 19 19.814 0.758 -4.148 1.00 42.30 H new ATOM 307 N ALA A 20 19.268 -1.450 -9.907 1.00 54.31 N ATOM 308 CA ALA A 20 18.967 -0.299 -10.750 1.00 3.02 C ATOM 309 C ALA A 20 17.558 -0.393 -11.325 1.00 44.15 C ATOM 310 O ALA A 20 16.815 0.589 -11.340 1.00 32.25 O ATOM 311 CB ALA A 20 19.991 -0.184 -11.870 1.00 14.31 C ATOM 0 H ALA A 20 19.875 -2.145 -10.342 1.00 54.31 H new ATOM 0 HA ALA A 20 19.019 0.597 -10.132 1.00 3.02 H new ATOM 0 HB1 ALA A 20 19.755 0.679 -12.492 1.00 14.31 H new ATOM 0 HB2 ALA A 20 20.986 -0.061 -11.442 1.00 14.31 H new ATOM 0 HB3 ALA A 20 19.967 -1.088 -12.479 1.00 14.31 H new ATOM 317 N THR A 21 17.196 -1.580 -11.801 1.00 62.42 N ATOM 318 CA THR A 21 15.877 -1.802 -12.380 1.00 22.00 C ATOM 319 C THR A 21 14.778 -1.305 -11.449 1.00 15.23 C ATOM 320 O THR A 21 13.815 -0.674 -11.889 1.00 21.33 O ATOM 321 CB THR A 21 15.641 -3.293 -12.685 1.00 33.33 C ATOM 322 OG1 THR A 21 16.833 -3.879 -13.220 1.00 12.01 O ATOM 323 CG2 THR A 21 14.496 -3.469 -13.671 1.00 62.21 C ATOM 0 H THR A 21 17.798 -2.403 -11.797 1.00 62.42 H new ATOM 0 HA THR A 21 15.842 -1.239 -13.312 1.00 22.00 H new ATOM 0 HB THR A 21 15.378 -3.794 -11.754 1.00 33.33 H new ATOM 0 HG1 THR A 21 16.675 -4.827 -13.409 1.00 12.01 H new ATOM 0 HG21 THR A 21 14.348 -4.530 -13.871 1.00 62.21 H new ATOM 0 HG22 THR A 21 13.584 -3.049 -13.248 1.00 62.21 H new ATOM 0 HG23 THR A 21 14.735 -2.954 -14.602 1.00 62.21 H new ATOM 331 N LEU A 22 14.926 -1.591 -10.160 1.00 71.10 N ATOM 332 CA LEU A 22 13.945 -1.172 -9.165 1.00 53.22 C ATOM 333 C LEU A 22 14.212 0.258 -8.706 1.00 54.11 C ATOM 334 O LEU A 22 13.282 1.015 -8.429 1.00 50.32 O ATOM 335 CB LEU A 22 13.971 -2.119 -7.964 1.00 13.50 C ATOM 336 CG LEU A 22 13.141 -3.396 -8.098 1.00 12.20 C ATOM 337 CD1 LEU A 22 13.466 -4.364 -6.971 1.00 74.11 C ATOM 338 CD2 LEU A 22 11.655 -3.068 -8.110 1.00 11.40 C ATOM 0 H LEU A 22 15.716 -2.112 -9.779 1.00 71.10 H new ATOM 0 HA LEU A 22 12.958 -1.208 -9.626 1.00 53.22 H new ATOM 0 HB2 LEU A 22 15.006 -2.401 -7.771 1.00 13.50 H new ATOM 0 HB3 LEU A 22 13.621 -1.572 -7.088 1.00 13.50 H new ATOM 0 HG LEU A 22 13.395 -3.874 -9.044 1.00 12.20 H new ATOM 0 HD11 LEU A 22 12.866 -5.267 -7.083 1.00 74.11 H new ATOM 0 HD12 LEU A 22 14.524 -4.624 -7.009 1.00 74.11 H new ATOM 0 HD13 LEU A 22 13.242 -3.895 -6.013 1.00 74.11 H new ATOM 0 HD21 LEU A 22 11.080 -3.989 -8.206 1.00 11.40 H new ATOM 0 HD22 LEU A 22 11.385 -2.567 -7.180 1.00 11.40 H new ATOM 0 HD23 LEU A 22 11.434 -2.413 -8.952 1.00 11.40 H new ATOM 350 N ALA A 23 15.488 0.621 -8.630 1.00 12.02 N ATOM 351 CA ALA A 23 15.877 1.961 -8.209 1.00 0.13 C ATOM 352 C ALA A 23 15.221 3.024 -9.084 1.00 21.30 C ATOM 353 O ALA A 23 14.562 3.933 -8.582 1.00 15.14 O ATOM 354 CB ALA A 23 17.391 2.107 -8.244 1.00 21.51 C ATOM 0 H ALA A 23 16.270 0.006 -8.855 1.00 12.02 H new ATOM 0 HA ALA A 23 15.532 2.107 -7.185 1.00 0.13 H new ATOM 0 HB1 ALA A 23 17.667 3.113 -7.927 1.00 21.51 H new ATOM 0 HB2 ALA A 23 17.842 1.378 -7.571 1.00 21.51 H new ATOM 0 HB3 ALA A 23 17.750 1.935 -9.259 1.00 21.51 H new ATOM 360 N GLN A 24 15.408 2.902 -10.394 1.00 52.33 N ATOM 361 CA GLN A 24 14.835 3.854 -11.339 1.00 12.25 C ATOM 362 C GLN A 24 13.324 3.959 -11.157 1.00 2.04 C ATOM 363 O GLN A 24 12.740 5.028 -11.335 1.00 65.55 O ATOM 364 CB GLN A 24 15.160 3.439 -12.774 1.00 51.04 C ATOM 365 CG GLN A 24 16.645 3.471 -13.095 1.00 65.03 C ATOM 366 CD GLN A 24 17.125 4.850 -13.502 1.00 41.32 C ATOM 367 OE1 GLN A 24 17.566 5.639 -12.666 1.00 23.45 O ATOM 368 NE2 GLN A 24 17.041 5.149 -14.793 1.00 45.53 N ATOM 0 H GLN A 24 15.951 2.154 -10.825 1.00 52.33 H new ATOM 0 HA GLN A 24 15.275 4.832 -11.143 1.00 12.25 H new ATOM 0 HB2 GLN A 24 14.781 2.432 -12.947 1.00 51.04 H new ATOM 0 HB3 GLN A 24 14.634 4.100 -13.463 1.00 51.04 H new ATOM 0 HG2 GLN A 24 17.208 3.137 -12.224 1.00 65.03 H new ATOM 0 HG3 GLN A 24 16.854 2.766 -13.899 1.00 65.03 H new ATOM 0 HE21 GLN A 24 16.669 4.465 -15.452 1.00 45.53 H new ATOM 0 HE22 GLN A 24 17.349 6.063 -15.126 1.00 45.53 H new ATOM 377 N ALA A 25 12.697 2.843 -10.801 1.00 21.35 N ATOM 378 CA ALA A 25 11.255 2.810 -10.593 1.00 32.30 C ATOM 379 C ALA A 25 10.858 3.626 -9.367 1.00 73.44 C ATOM 380 O ALA A 25 9.706 4.036 -9.229 1.00 43.34 O ATOM 381 CB ALA A 25 10.775 1.373 -10.451 1.00 73.10 C ATOM 0 H ALA A 25 13.165 1.949 -10.651 1.00 21.35 H new ATOM 0 HA ALA A 25 10.777 3.257 -11.465 1.00 32.30 H new ATOM 0 HB1 ALA A 25 9.696 1.363 -10.296 1.00 73.10 H new ATOM 0 HB2 ALA A 25 11.016 0.818 -11.357 1.00 73.10 H new ATOM 0 HB3 ALA A 25 11.268 0.907 -9.598 1.00 73.10 H new ATOM 387 N GLY A 26 11.819 3.856 -8.479 1.00 4.44 N ATOM 388 CA GLY A 26 11.549 4.622 -7.275 1.00 64.35 C ATOM 389 C GLY A 26 11.567 3.763 -6.026 1.00 43.42 C ATOM 390 O GLY A 26 11.943 4.229 -4.950 1.00 64.12 O ATOM 0 H GLY A 26 12.780 3.526 -8.571 1.00 4.44 H new ATOM 0 HA2 GLY A 26 12.291 5.415 -7.178 1.00 64.35 H new ATOM 0 HA3 GLY A 26 10.576 5.105 -7.366 1.00 64.35 H new ATOM 394 N TYR A 27 11.158 2.508 -6.167 1.00 65.55 N ATOM 395 CA TYR A 27 11.125 1.583 -5.040 1.00 40.33 C ATOM 396 C TYR A 27 12.469 1.554 -4.319 1.00 42.53 C ATOM 397 O TYR A 27 13.510 1.835 -4.913 1.00 12.41 O ATOM 398 CB TYR A 27 10.760 0.177 -5.518 1.00 35.23 C ATOM 399 CG TYR A 27 9.542 0.139 -6.413 1.00 72.42 C ATOM 400 CD1 TYR A 27 9.635 -0.301 -7.728 1.00 20.33 C ATOM 401 CD2 TYR A 27 8.298 0.542 -5.944 1.00 35.20 C ATOM 402 CE1 TYR A 27 8.525 -0.337 -8.549 1.00 62.04 C ATOM 403 CE2 TYR A 27 7.182 0.508 -6.758 1.00 51.12 C ATOM 404 CZ TYR A 27 7.301 0.068 -8.060 1.00 51.41 C ATOM 405 OH TYR A 27 6.193 0.033 -8.875 1.00 53.00 O ATOM 0 H TYR A 27 10.844 2.107 -7.051 1.00 65.55 H new ATOM 0 HA TYR A 27 10.365 1.931 -4.340 1.00 40.33 H new ATOM 0 HB2 TYR A 27 11.609 -0.247 -6.055 1.00 35.23 H new ATOM 0 HB3 TYR A 27 10.583 -0.458 -4.650 1.00 35.23 H new ATOM 0 HD1 TYR A 27 10.592 -0.620 -8.114 1.00 20.33 H new ATOM 0 HD2 TYR A 27 8.202 0.888 -4.925 1.00 35.20 H new ATOM 0 HE1 TYR A 27 8.615 -0.681 -9.569 1.00 62.04 H new ATOM 0 HE2 TYR A 27 6.222 0.824 -6.377 1.00 51.12 H new ATOM 0 HH TYR A 27 6.291 -0.689 -9.530 1.00 53.00 H new ATOM 415 N GLU A 28 12.437 1.212 -3.035 1.00 64.02 N ATOM 416 CA GLU A 28 13.653 1.146 -2.232 1.00 50.44 C ATOM 417 C GLU A 28 14.203 -0.276 -2.194 1.00 23.43 C ATOM 418 O GLU A 28 14.060 -0.982 -1.195 1.00 64.43 O ATOM 419 CB GLU A 28 13.378 1.638 -0.810 1.00 22.44 C ATOM 420 CG GLU A 28 14.588 1.557 0.106 1.00 11.13 C ATOM 421 CD GLU A 28 14.485 2.497 1.292 1.00 24.30 C ATOM 422 OE1 GLU A 28 13.616 3.393 1.264 1.00 2.14 O ATOM 423 OE2 GLU A 28 15.274 2.336 2.247 1.00 52.21 O ATOM 0 H GLU A 28 11.583 0.977 -2.529 1.00 64.02 H new ATOM 0 HA GLU A 28 14.399 1.792 -2.694 1.00 50.44 H new ATOM 0 HB2 GLU A 28 13.033 2.671 -0.852 1.00 22.44 H new ATOM 0 HB3 GLU A 28 12.568 1.049 -0.381 1.00 22.44 H new ATOM 0 HG2 GLU A 28 14.699 0.534 0.466 1.00 11.13 H new ATOM 0 HG3 GLU A 28 15.487 1.793 -0.463 1.00 11.13 H new ATOM 430 N VAL A 29 14.833 -0.691 -3.289 1.00 32.24 N ATOM 431 CA VAL A 29 15.405 -2.029 -3.381 1.00 3.12 C ATOM 432 C VAL A 29 16.801 -2.073 -2.768 1.00 53.14 C ATOM 433 O VAL A 29 17.569 -1.117 -2.876 1.00 42.41 O ATOM 434 CB VAL A 29 15.483 -2.507 -4.843 1.00 41.50 C ATOM 435 CG1 VAL A 29 16.236 -1.497 -5.695 1.00 43.34 C ATOM 436 CG2 VAL A 29 16.139 -3.877 -4.921 1.00 73.03 C ATOM 0 H VAL A 29 14.960 -0.120 -4.124 1.00 32.24 H new ATOM 0 HA VAL A 29 14.745 -2.694 -2.824 1.00 3.12 H new ATOM 0 HB VAL A 29 14.469 -2.592 -5.234 1.00 41.50 H new ATOM 0 HG11 VAL A 29 16.281 -1.851 -6.725 1.00 43.34 H new ATOM 0 HG12 VAL A 29 15.719 -0.538 -5.664 1.00 43.34 H new ATOM 0 HG13 VAL A 29 17.248 -1.377 -5.308 1.00 43.34 H new ATOM 0 HG21 VAL A 29 16.186 -4.199 -5.961 1.00 73.03 H new ATOM 0 HG22 VAL A 29 17.148 -3.821 -4.513 1.00 73.03 H new ATOM 0 HG23 VAL A 29 15.554 -4.594 -4.345 1.00 73.03 H new ATOM 446 N THR A 30 17.124 -3.190 -2.125 1.00 33.43 N ATOM 447 CA THR A 30 18.427 -3.360 -1.494 1.00 14.21 C ATOM 448 C THR A 30 18.954 -4.776 -1.693 1.00 71.12 C ATOM 449 O THR A 30 18.211 -5.749 -1.569 1.00 35.54 O ATOM 450 CB THR A 30 18.364 -3.055 0.015 1.00 43.13 C ATOM 451 OG1 THR A 30 17.801 -1.756 0.229 1.00 30.01 O ATOM 452 CG2 THR A 30 19.750 -3.121 0.638 1.00 64.32 C ATOM 0 H THR A 30 16.501 -3.991 -2.027 1.00 33.43 H new ATOM 0 HA THR A 30 19.105 -2.653 -1.972 1.00 14.21 H new ATOM 0 HB THR A 30 17.733 -3.807 0.489 1.00 43.13 H new ATOM 0 HG1 THR A 30 17.763 -1.570 1.190 1.00 30.01 H new ATOM 0 HG21 THR A 30 19.681 -2.902 1.704 1.00 64.32 H new ATOM 0 HG22 THR A 30 20.164 -4.120 0.499 1.00 64.32 H new ATOM 0 HG23 THR A 30 20.400 -2.389 0.159 1.00 64.32 H new ATOM 460 N VAL A 31 20.242 -4.885 -2.003 1.00 1.01 N ATOM 461 CA VAL A 31 20.870 -6.183 -2.218 1.00 33.34 C ATOM 462 C VAL A 31 21.570 -6.671 -0.954 1.00 42.24 C ATOM 463 O VAL A 31 21.851 -5.888 -0.047 1.00 33.52 O ATOM 464 CB VAL A 31 21.891 -6.129 -3.369 1.00 72.55 C ATOM 465 CG1 VAL A 31 21.228 -5.641 -4.648 1.00 40.14 C ATOM 466 CG2 VAL A 31 23.068 -5.241 -2.996 1.00 71.23 C ATOM 0 H VAL A 31 20.871 -4.089 -2.111 1.00 1.01 H new ATOM 0 HA VAL A 31 20.074 -6.880 -2.481 1.00 33.34 H new ATOM 0 HB VAL A 31 22.268 -7.137 -3.545 1.00 72.55 H new ATOM 0 HG11 VAL A 31 21.965 -5.609 -5.451 1.00 40.14 H new ATOM 0 HG12 VAL A 31 20.422 -6.321 -4.922 1.00 40.14 H new ATOM 0 HG13 VAL A 31 20.822 -4.642 -4.489 1.00 40.14 H new ATOM 0 HG21 VAL A 31 23.780 -5.215 -3.821 1.00 71.23 H new ATOM 0 HG22 VAL A 31 22.712 -4.231 -2.792 1.00 71.23 H new ATOM 0 HG23 VAL A 31 23.557 -5.640 -2.107 1.00 71.23 H new ATOM 476 N ALA A 32 21.851 -7.969 -0.903 1.00 53.23 N ATOM 477 CA ALA A 32 22.521 -8.561 0.248 1.00 41.23 C ATOM 478 C ALA A 32 23.738 -9.373 -0.183 1.00 52.34 C ATOM 479 O ALA A 32 24.073 -9.426 -1.366 1.00 74.33 O ATOM 480 CB ALA A 32 21.552 -9.434 1.031 1.00 3.13 C ATOM 0 H ALA A 32 21.625 -8.631 -1.646 1.00 53.23 H new ATOM 0 HA ALA A 32 22.866 -7.752 0.892 1.00 41.23 H new ATOM 0 HB1 ALA A 32 22.066 -9.870 1.888 1.00 3.13 H new ATOM 0 HB2 ALA A 32 20.716 -8.828 1.379 1.00 3.13 H new ATOM 0 HB3 ALA A 32 21.179 -10.231 0.388 1.00 3.13 H new ATOM 486 N ALA A 33 24.396 -10.003 0.784 1.00 2.52 N ATOM 487 CA ALA A 33 25.575 -10.813 0.504 1.00 41.40 C ATOM 488 C ALA A 33 25.206 -12.284 0.348 1.00 53.23 C ATOM 489 O ALA A 33 25.798 -13.000 -0.460 1.00 54.11 O ATOM 490 CB ALA A 33 26.608 -10.640 1.607 1.00 24.24 C ATOM 0 H ALA A 33 24.133 -9.968 1.769 1.00 2.52 H new ATOM 0 HA ALA A 33 26.005 -10.472 -0.438 1.00 41.40 H new ATOM 0 HB1 ALA A 33 27.483 -11.251 1.385 1.00 24.24 H new ATOM 0 HB2 ALA A 33 26.903 -9.592 1.669 1.00 24.24 H new ATOM 0 HB3 ALA A 33 26.179 -10.953 2.559 1.00 24.24 H new ATOM 496 N ASP A 34 24.225 -12.729 1.126 1.00 40.53 N ATOM 497 CA ASP A 34 23.776 -14.115 1.073 1.00 25.13 C ATOM 498 C ASP A 34 22.312 -14.228 1.485 1.00 20.51 C ATOM 499 O ASP A 34 21.768 -13.335 2.133 1.00 20.53 O ATOM 500 CB ASP A 34 24.644 -14.989 1.981 1.00 14.33 C ATOM 501 CG ASP A 34 25.013 -14.291 3.276 1.00 55.34 C ATOM 502 OD1 ASP A 34 24.450 -14.657 4.329 1.00 60.11 O ATOM 503 OD2 ASP A 34 25.864 -13.379 3.235 1.00 5.24 O ATOM 0 H ASP A 34 23.726 -12.150 1.801 1.00 40.53 H new ATOM 0 HA ASP A 34 23.873 -14.464 0.045 1.00 25.13 H new ATOM 0 HB2 ASP A 34 24.112 -15.913 2.208 1.00 14.33 H new ATOM 0 HB3 ASP A 34 25.554 -15.268 1.450 1.00 14.33 H new ATOM 508 N GLY A 35 21.679 -15.333 1.103 1.00 74.31 N ATOM 509 CA GLY A 35 20.283 -15.543 1.440 1.00 13.52 C ATOM 510 C GLY A 35 20.010 -15.361 2.920 1.00 25.43 C ATOM 511 O GLY A 35 18.923 -14.938 3.310 1.00 50.40 O ATOM 0 H GLY A 35 22.108 -16.087 0.566 1.00 74.31 H new ATOM 0 HA2 GLY A 35 19.667 -14.847 0.872 1.00 13.52 H new ATOM 0 HA3 GLY A 35 19.987 -16.548 1.140 1.00 13.52 H new ATOM 515 N GLU A 36 21.000 -15.685 3.747 1.00 44.25 N ATOM 516 CA GLU A 36 20.860 -15.557 5.192 1.00 22.43 C ATOM 517 C GLU A 36 20.919 -14.093 5.618 1.00 62.13 C ATOM 518 O GLU A 36 20.091 -13.629 6.400 1.00 34.35 O ATOM 519 CB GLU A 36 21.957 -16.352 5.905 1.00 14.43 C ATOM 520 CG GLU A 36 21.962 -16.163 7.413 1.00 30.21 C ATOM 521 CD GLU A 36 22.659 -17.297 8.140 1.00 2.31 C ATOM 522 OE1 GLU A 36 22.165 -17.709 9.210 1.00 74.32 O ATOM 523 OE2 GLU A 36 23.700 -17.771 7.638 1.00 31.24 O ATOM 0 H GLU A 36 21.907 -16.038 3.440 1.00 44.25 H new ATOM 0 HA GLU A 36 19.887 -15.960 5.474 1.00 22.43 H new ATOM 0 HB2 GLU A 36 21.831 -17.411 5.680 1.00 14.43 H new ATOM 0 HB3 GLU A 36 22.927 -16.055 5.507 1.00 14.43 H new ATOM 0 HG2 GLU A 36 22.456 -15.222 7.656 1.00 30.21 H new ATOM 0 HG3 GLU A 36 20.935 -16.085 7.769 1.00 30.21 H new ATOM 530 N ALA A 37 21.905 -13.371 5.096 1.00 5.14 N ATOM 531 CA ALA A 37 22.073 -11.960 5.420 1.00 14.43 C ATOM 532 C ALA A 37 20.831 -11.159 5.042 1.00 0.15 C ATOM 533 O ALA A 37 20.465 -10.203 5.725 1.00 21.35 O ATOM 534 CB ALA A 37 23.299 -11.398 4.717 1.00 63.24 C ATOM 0 H ALA A 37 22.600 -13.740 4.447 1.00 5.14 H new ATOM 0 HA ALA A 37 22.216 -11.875 6.497 1.00 14.43 H new ATOM 0 HB1 ALA A 37 23.411 -10.343 4.969 1.00 63.24 H new ATOM 0 HB2 ALA A 37 24.186 -11.944 5.039 1.00 63.24 H new ATOM 0 HB3 ALA A 37 23.180 -11.503 3.639 1.00 63.24 H new ATOM 540 N GLY A 38 20.187 -11.555 3.949 1.00 73.21 N ATOM 541 CA GLY A 38 18.993 -10.863 3.499 1.00 4.40 C ATOM 542 C GLY A 38 17.769 -11.228 4.314 1.00 32.40 C ATOM 543 O GLY A 38 16.993 -10.357 4.708 1.00 63.00 O ATOM 0 H GLY A 38 20.471 -12.343 3.367 1.00 73.21 H new ATOM 0 HA2 GLY A 38 19.157 -9.787 3.557 1.00 4.40 H new ATOM 0 HA3 GLY A 38 18.812 -11.101 2.451 1.00 4.40 H new ATOM 547 N PHE A 39 17.593 -12.521 4.567 1.00 74.13 N ATOM 548 CA PHE A 39 16.452 -13.001 5.338 1.00 53.31 C ATOM 549 C PHE A 39 16.533 -12.523 6.785 1.00 44.54 C ATOM 550 O PHE A 39 15.554 -12.028 7.342 1.00 12.44 O ATOM 551 CB PHE A 39 16.388 -14.529 5.297 1.00 55.11 C ATOM 552 CG PHE A 39 15.348 -15.060 4.352 1.00 32.10 C ATOM 553 CD1 PHE A 39 14.003 -14.809 4.569 1.00 34.40 C ATOM 554 CD2 PHE A 39 15.716 -15.811 3.247 1.00 12.20 C ATOM 555 CE1 PHE A 39 13.043 -15.296 3.701 1.00 22.43 C ATOM 556 CE2 PHE A 39 14.761 -16.300 2.376 1.00 61.03 C ATOM 557 CZ PHE A 39 13.423 -16.044 2.604 1.00 41.43 C ATOM 0 H PHE A 39 18.226 -13.255 4.249 1.00 74.13 H new ATOM 0 HA PHE A 39 15.546 -12.594 4.890 1.00 53.31 H new ATOM 0 HB2 PHE A 39 17.364 -14.918 5.007 1.00 55.11 H new ATOM 0 HB3 PHE A 39 16.181 -14.903 6.300 1.00 55.11 H new ATOM 0 HD1 PHE A 39 13.701 -14.226 5.426 1.00 34.40 H new ATOM 0 HD2 PHE A 39 16.760 -16.016 3.065 1.00 12.20 H new ATOM 0 HE1 PHE A 39 11.998 -15.092 3.881 1.00 22.43 H new ATOM 0 HE2 PHE A 39 15.061 -16.882 1.517 1.00 61.03 H new ATOM 0 HZ PHE A 39 12.675 -16.428 1.926 1.00 41.43 H new ATOM 567 N ASP A 40 17.708 -12.675 7.386 1.00 0.31 N ATOM 568 CA ASP A 40 17.919 -12.259 8.768 1.00 42.53 C ATOM 569 C ASP A 40 17.487 -10.810 8.971 1.00 50.32 C ATOM 570 O ASP A 40 16.903 -10.463 9.998 1.00 31.15 O ATOM 571 CB ASP A 40 19.390 -12.424 9.153 1.00 10.24 C ATOM 572 CG ASP A 40 19.719 -11.765 10.479 1.00 54.24 C ATOM 573 OD1 ASP A 40 18.912 -11.896 11.423 1.00 21.52 O ATOM 574 OD2 ASP A 40 20.783 -11.118 10.571 1.00 34.24 O ATOM 0 H ASP A 40 18.529 -13.083 6.938 1.00 0.31 H new ATOM 0 HA ASP A 40 17.309 -12.895 9.410 1.00 42.53 H new ATOM 0 HB2 ASP A 40 19.631 -13.486 9.208 1.00 10.24 H new ATOM 0 HB3 ASP A 40 20.017 -11.995 8.372 1.00 10.24 H new ATOM 579 N LEU A 41 17.778 -9.967 7.986 1.00 64.20 N ATOM 580 CA LEU A 41 17.421 -8.555 8.057 1.00 52.44 C ATOM 581 C LEU A 41 15.974 -8.337 7.625 1.00 10.05 C ATOM 582 O LEU A 41 15.289 -7.453 8.139 1.00 3.21 O ATOM 583 CB LEU A 41 18.358 -7.727 7.175 1.00 13.54 C ATOM 584 CG LEU A 41 19.852 -7.868 7.466 1.00 62.31 C ATOM 585 CD1 LEU A 41 20.675 -7.349 6.297 1.00 12.31 C ATOM 586 CD2 LEU A 41 20.219 -7.133 8.747 1.00 74.21 C ATOM 0 H LEU A 41 18.260 -10.237 7.129 1.00 64.20 H new ATOM 0 HA LEU A 41 17.525 -8.231 9.092 1.00 52.44 H new ATOM 0 HB2 LEU A 41 18.183 -8.002 6.135 1.00 13.54 H new ATOM 0 HB3 LEU A 41 18.086 -6.676 7.277 1.00 13.54 H new ATOM 0 HG LEU A 41 20.077 -8.926 7.601 1.00 62.31 H new ATOM 0 HD11 LEU A 41 21.736 -7.457 6.522 1.00 12.31 H new ATOM 0 HD12 LEU A 41 20.434 -7.920 5.400 1.00 12.31 H new ATOM 0 HD13 LEU A 41 20.446 -6.297 6.129 1.00 12.31 H new ATOM 0 HD21 LEU A 41 21.286 -7.245 8.938 1.00 74.21 H new ATOM 0 HD22 LEU A 41 19.978 -6.075 8.641 1.00 74.21 H new ATOM 0 HD23 LEU A 41 19.656 -7.552 9.581 1.00 74.21 H new ATOM 598 N ALA A 42 15.515 -9.151 6.680 1.00 12.34 N ATOM 599 CA ALA A 42 14.148 -9.050 6.183 1.00 2.05 C ATOM 600 C ALA A 42 13.141 -9.133 7.326 1.00 62.25 C ATOM 601 O ALA A 42 12.025 -8.625 7.220 1.00 63.11 O ATOM 602 CB ALA A 42 13.878 -10.141 5.158 1.00 33.12 C ATOM 0 H ALA A 42 16.069 -9.887 6.243 1.00 12.34 H new ATOM 0 HA ALA A 42 14.033 -8.079 5.702 1.00 2.05 H new ATOM 0 HB1 ALA A 42 12.854 -10.054 4.795 1.00 33.12 H new ATOM 0 HB2 ALA A 42 14.569 -10.034 4.322 1.00 33.12 H new ATOM 0 HB3 ALA A 42 14.017 -11.118 5.621 1.00 33.12 H new ATOM 608 N ALA A 43 13.542 -9.778 8.416 1.00 5.44 N ATOM 609 CA ALA A 43 12.675 -9.926 9.578 1.00 2.05 C ATOM 610 C ALA A 43 12.762 -8.705 10.488 1.00 40.23 C ATOM 611 O ALA A 43 11.812 -8.379 11.200 1.00 11.12 O ATOM 612 CB ALA A 43 13.037 -11.187 10.349 1.00 33.02 C ATOM 0 H ALA A 43 14.462 -10.206 8.519 1.00 5.44 H new ATOM 0 HA ALA A 43 11.647 -10.011 9.225 1.00 2.05 H new ATOM 0 HB1 ALA A 43 12.382 -11.285 11.214 1.00 33.02 H new ATOM 0 HB2 ALA A 43 12.917 -12.056 9.702 1.00 33.02 H new ATOM 0 HB3 ALA A 43 14.073 -11.124 10.683 1.00 33.02 H new ATOM 618 N THR A 44 13.908 -8.032 10.460 1.00 43.15 N ATOM 619 CA THR A 44 14.120 -6.848 11.282 1.00 12.24 C ATOM 620 C THR A 44 13.615 -5.593 10.580 1.00 50.31 C ATOM 621 O THR A 44 13.228 -4.619 11.227 1.00 42.20 O ATOM 622 CB THR A 44 15.609 -6.664 11.630 1.00 41.00 C ATOM 623 OG1 THR A 44 15.744 -6.205 12.979 1.00 2.55 O ATOM 624 CG2 THR A 44 16.267 -5.672 10.683 1.00 64.01 C ATOM 0 H THR A 44 14.704 -8.288 9.876 1.00 43.15 H new ATOM 0 HA THR A 44 13.556 -6.998 12.202 1.00 12.24 H new ATOM 0 HB THR A 44 16.106 -7.628 11.524 1.00 41.00 H new ATOM 0 HG1 THR A 44 16.694 -6.092 13.193 1.00 2.55 H new ATOM 0 HG21 THR A 44 17.318 -5.558 10.948 1.00 64.01 H new ATOM 0 HG22 THR A 44 16.189 -6.039 9.660 1.00 64.01 H new ATOM 0 HG23 THR A 44 15.766 -4.707 10.762 1.00 64.01 H new ATOM 632 N THR A 45 13.620 -5.621 9.251 1.00 61.22 N ATOM 633 CA THR A 45 13.163 -4.485 8.460 1.00 30.51 C ATOM 634 C THR A 45 11.757 -4.721 7.921 1.00 34.13 C ATOM 635 O THR A 45 10.950 -3.795 7.840 1.00 33.42 O ATOM 636 CB THR A 45 14.112 -4.204 7.280 1.00 61.20 C ATOM 637 OG1 THR A 45 15.306 -3.570 7.752 1.00 40.10 O ATOM 638 CG2 THR A 45 13.438 -3.319 6.242 1.00 31.34 C ATOM 0 H THR A 45 13.936 -6.419 8.699 1.00 61.22 H new ATOM 0 HA THR A 45 13.155 -3.621 9.124 1.00 30.51 H new ATOM 0 HB THR A 45 14.367 -5.155 6.813 1.00 61.20 H new ATOM 0 HG1 THR A 45 15.905 -3.396 6.996 1.00 40.10 H new ATOM 0 HG21 THR A 45 14.128 -3.134 5.418 1.00 31.34 H new ATOM 0 HG22 THR A 45 12.546 -3.817 5.863 1.00 31.34 H new ATOM 0 HG23 THR A 45 13.157 -2.370 6.700 1.00 31.34 H new ATOM 646 N ALA A 46 11.469 -5.966 7.555 1.00 41.32 N ATOM 647 CA ALA A 46 10.159 -6.323 7.026 1.00 34.12 C ATOM 648 C ALA A 46 9.894 -5.626 5.696 1.00 3.31 C ATOM 649 O ALA A 46 9.126 -4.666 5.629 1.00 31.01 O ATOM 650 CB ALA A 46 9.071 -5.975 8.032 1.00 61.21 C ATOM 0 H ALA A 46 12.126 -6.744 7.615 1.00 41.32 H new ATOM 0 HA ALA A 46 10.147 -7.399 6.851 1.00 34.12 H new ATOM 0 HB1 ALA A 46 8.098 -6.247 7.624 1.00 61.21 H new ATOM 0 HB2 ALA A 46 9.242 -6.524 8.958 1.00 61.21 H new ATOM 0 HB3 ALA A 46 9.093 -4.904 8.236 1.00 61.21 H new ATOM 656 N TYR A 47 10.536 -6.113 4.640 1.00 31.42 N ATOM 657 CA TYR A 47 10.372 -5.535 3.312 1.00 43.40 C ATOM 658 C TYR A 47 9.042 -5.954 2.695 1.00 15.01 C ATOM 659 O TYR A 47 8.381 -6.873 3.181 1.00 44.23 O ATOM 660 CB TYR A 47 11.526 -5.960 2.402 1.00 73.02 C ATOM 661 CG TYR A 47 12.872 -5.435 2.845 1.00 25.14 C ATOM 662 CD1 TYR A 47 13.568 -6.040 3.885 1.00 13.44 C ATOM 663 CD2 TYR A 47 13.450 -4.335 2.224 1.00 42.14 C ATOM 664 CE1 TYR A 47 14.798 -5.563 4.294 1.00 10.23 C ATOM 665 CE2 TYR A 47 14.681 -3.852 2.625 1.00 32.10 C ATOM 666 CZ TYR A 47 15.350 -4.469 3.661 1.00 24.10 C ATOM 667 OH TYR A 47 16.576 -3.992 4.065 1.00 45.05 O ATOM 0 H TYR A 47 11.175 -6.907 4.678 1.00 31.42 H new ATOM 0 HA TYR A 47 10.378 -4.450 3.413 1.00 43.40 H new ATOM 0 HB2 TYR A 47 11.565 -7.049 2.363 1.00 73.02 H new ATOM 0 HB3 TYR A 47 11.325 -5.612 1.389 1.00 73.02 H new ATOM 0 HD1 TYR A 47 13.140 -6.898 4.382 1.00 13.44 H new ATOM 0 HD2 TYR A 47 12.928 -3.849 1.413 1.00 42.14 H new ATOM 0 HE1 TYR A 47 15.325 -6.044 5.105 1.00 10.23 H new ATOM 0 HE2 TYR A 47 15.116 -2.997 2.130 1.00 32.10 H new ATOM 0 HH TYR A 47 16.823 -3.218 3.517 1.00 45.05 H new ATOM 677 N ASP A 48 8.654 -5.274 1.622 1.00 64.05 N ATOM 678 CA ASP A 48 7.403 -5.576 0.935 1.00 5.34 C ATOM 679 C ASP A 48 7.578 -6.751 -0.021 1.00 61.21 C ATOM 680 O ASP A 48 6.662 -7.553 -0.210 1.00 41.35 O ATOM 681 CB ASP A 48 6.908 -4.348 0.169 1.00 23.03 C ATOM 682 CG ASP A 48 6.378 -3.266 1.090 1.00 74.53 C ATOM 683 OD1 ASP A 48 5.144 -3.075 1.130 1.00 25.03 O ATOM 684 OD2 ASP A 48 7.196 -2.611 1.769 1.00 54.22 O ATOM 0 H ASP A 48 9.188 -4.509 1.209 1.00 64.05 H new ATOM 0 HA ASP A 48 6.662 -5.849 1.686 1.00 5.34 H new ATOM 0 HB2 ASP A 48 7.724 -3.944 -0.430 1.00 23.03 H new ATOM 0 HB3 ASP A 48 6.122 -4.648 -0.524 1.00 23.03 H new ATOM 689 N LEU A 49 8.759 -6.848 -0.622 1.00 53.54 N ATOM 690 CA LEU A 49 9.054 -7.925 -1.561 1.00 13.22 C ATOM 691 C LEU A 49 10.490 -8.412 -1.396 1.00 74.42 C ATOM 692 O LEU A 49 11.435 -7.628 -1.469 1.00 42.55 O ATOM 693 CB LEU A 49 8.825 -7.453 -2.998 1.00 12.12 C ATOM 694 CG LEU A 49 8.305 -8.507 -3.976 1.00 33.13 C ATOM 695 CD1 LEU A 49 8.033 -7.885 -5.337 1.00 22.14 C ATOM 696 CD2 LEU A 49 9.296 -9.655 -4.100 1.00 4.30 C ATOM 0 H LEU A 49 9.528 -6.194 -0.476 1.00 53.54 H new ATOM 0 HA LEU A 49 8.381 -8.755 -1.347 1.00 13.22 H new ATOM 0 HB2 LEU A 49 8.118 -6.624 -2.978 1.00 12.12 H new ATOM 0 HB3 LEU A 49 9.766 -7.060 -3.384 1.00 12.12 H new ATOM 0 HG LEU A 49 7.367 -8.904 -3.587 1.00 33.13 H new ATOM 0 HD11 LEU A 49 7.664 -8.650 -6.020 1.00 22.14 H new ATOM 0 HD12 LEU A 49 7.285 -7.099 -5.235 1.00 22.14 H new ATOM 0 HD13 LEU A 49 8.955 -7.460 -5.733 1.00 22.14 H new ATOM 0 HD21 LEU A 49 8.909 -10.396 -4.800 1.00 4.30 H new ATOM 0 HD22 LEU A 49 10.250 -9.274 -4.465 1.00 4.30 H new ATOM 0 HD23 LEU A 49 9.440 -10.119 -3.124 1.00 4.30 H new ATOM 708 N VAL A 50 10.646 -9.714 -1.175 1.00 55.13 N ATOM 709 CA VAL A 50 11.966 -10.307 -1.004 1.00 22.32 C ATOM 710 C VAL A 50 12.208 -11.415 -2.023 1.00 54.13 C ATOM 711 O VAL A 50 11.273 -12.092 -2.454 1.00 1.01 O ATOM 712 CB VAL A 50 12.143 -10.882 0.414 1.00 23.31 C ATOM 713 CG1 VAL A 50 13.583 -11.321 0.637 1.00 53.13 C ATOM 714 CG2 VAL A 50 11.721 -9.861 1.459 1.00 11.13 C ATOM 0 H VAL A 50 9.874 -10.378 -1.110 1.00 55.13 H new ATOM 0 HA VAL A 50 12.693 -9.510 -1.159 1.00 22.32 H new ATOM 0 HB VAL A 50 11.502 -11.758 0.515 1.00 23.31 H new ATOM 0 HG11 VAL A 50 13.689 -11.724 1.644 1.00 53.13 H new ATOM 0 HG12 VAL A 50 13.846 -12.089 -0.091 1.00 53.13 H new ATOM 0 HG13 VAL A 50 14.247 -10.465 0.518 1.00 53.13 H new ATOM 0 HG21 VAL A 50 11.853 -10.284 2.455 1.00 11.13 H new ATOM 0 HG22 VAL A 50 12.335 -8.965 1.361 1.00 11.13 H new ATOM 0 HG23 VAL A 50 10.673 -9.601 1.311 1.00 11.13 H new ATOM 724 N LEU A 51 13.467 -11.595 -2.406 1.00 20.15 N ATOM 725 CA LEU A 51 13.833 -12.622 -3.375 1.00 51.10 C ATOM 726 C LEU A 51 15.051 -13.409 -2.901 1.00 54.14 C ATOM 727 O LEU A 51 16.116 -12.840 -2.658 1.00 74.13 O ATOM 728 CB LEU A 51 14.120 -11.987 -4.737 1.00 10.44 C ATOM 729 CG LEU A 51 12.995 -12.075 -5.769 1.00 4.31 C ATOM 730 CD1 LEU A 51 11.803 -11.238 -5.332 1.00 32.22 C ATOM 731 CD2 LEU A 51 13.491 -11.627 -7.136 1.00 75.14 C ATOM 0 H LEU A 51 14.252 -11.043 -2.060 1.00 20.15 H new ATOM 0 HA LEU A 51 12.994 -13.311 -3.472 1.00 51.10 H new ATOM 0 HB2 LEU A 51 14.362 -10.936 -4.582 1.00 10.44 H new ATOM 0 HB3 LEU A 51 15.008 -12.460 -5.156 1.00 10.44 H new ATOM 0 HG LEU A 51 12.675 -13.114 -5.843 1.00 4.31 H new ATOM 0 HD11 LEU A 51 11.012 -11.313 -6.079 1.00 32.22 H new ATOM 0 HD12 LEU A 51 11.433 -11.604 -4.374 1.00 32.22 H new ATOM 0 HD13 LEU A 51 12.108 -10.196 -5.230 1.00 32.22 H new ATOM 0 HD21 LEU A 51 12.678 -11.696 -7.859 1.00 75.14 H new ATOM 0 HD22 LEU A 51 13.838 -10.595 -7.077 1.00 75.14 H new ATOM 0 HD23 LEU A 51 14.313 -12.269 -7.453 1.00 75.14 H new ATOM 743 N THR A 52 14.887 -14.722 -2.774 1.00 24.12 N ATOM 744 CA THR A 52 15.973 -15.588 -2.331 1.00 11.23 C ATOM 745 C THR A 52 16.379 -16.566 -3.427 1.00 40.43 C ATOM 746 O THR A 52 15.631 -16.793 -4.378 1.00 54.52 O ATOM 747 CB THR A 52 15.580 -16.382 -1.071 1.00 14.34 C ATOM 748 OG1 THR A 52 16.642 -17.267 -0.698 1.00 12.32 O ATOM 749 CG2 THR A 52 14.307 -17.181 -1.310 1.00 3.44 C ATOM 0 H THR A 52 14.013 -15.209 -2.972 1.00 24.12 H new ATOM 0 HA THR A 52 16.817 -14.940 -2.095 1.00 11.23 H new ATOM 0 HB THR A 52 15.399 -15.673 -0.263 1.00 14.34 H new ATOM 0 HG1 THR A 52 16.437 -18.173 -1.010 1.00 12.32 H new ATOM 0 HG21 THR A 52 14.049 -17.733 -0.406 1.00 3.44 H new ATOM 0 HG22 THR A 52 13.493 -16.502 -1.565 1.00 3.44 H new ATOM 0 HG23 THR A 52 14.465 -17.881 -2.130 1.00 3.44 H new ATOM 757 N ASP A 53 17.568 -17.142 -3.289 1.00 33.34 N ATOM 758 CA ASP A 53 18.073 -18.098 -4.267 1.00 73.05 C ATOM 759 C ASP A 53 18.308 -19.461 -3.625 1.00 23.25 C ATOM 760 O ASP A 53 17.849 -20.484 -4.131 1.00 74.13 O ATOM 761 CB ASP A 53 19.371 -17.583 -4.892 1.00 33.53 C ATOM 762 CG ASP A 53 19.666 -18.231 -6.230 1.00 52.24 C ATOM 763 OD1 ASP A 53 19.056 -19.279 -6.529 1.00 42.34 O ATOM 764 OD2 ASP A 53 20.507 -17.690 -6.979 1.00 31.01 O ATOM 0 H ASP A 53 18.200 -16.963 -2.509 1.00 33.34 H new ATOM 0 HA ASP A 53 17.322 -18.211 -5.049 1.00 73.05 H new ATOM 0 HB2 ASP A 53 19.305 -16.503 -5.021 1.00 33.53 H new ATOM 0 HB3 ASP A 53 20.200 -17.772 -4.209 1.00 33.53 H new ATOM 895 N LEU A 62 17.531 -19.930 5.614 1.00 54.53 N ATOM 896 CA LEU A 62 16.279 -20.063 4.876 1.00 65.35 C ATOM 897 C LEU A 62 15.164 -20.572 5.783 1.00 72.13 C ATOM 898 O LEU A 62 14.002 -20.202 5.620 1.00 74.25 O ATOM 899 CB LEU A 62 16.462 -21.014 3.691 1.00 44.41 C ATOM 900 CG LEU A 62 17.082 -20.406 2.432 1.00 1.42 C ATOM 901 CD1 LEU A 62 16.210 -19.280 1.898 1.00 1.11 C ATOM 902 CD2 LEU A 62 18.489 -19.902 2.720 1.00 30.11 C ATOM 0 HA LEU A 62 15.998 -19.078 4.504 1.00 65.35 H new ATOM 0 HB2 LEU A 62 17.086 -21.848 4.013 1.00 44.41 H new ATOM 0 HB3 LEU A 62 15.488 -21.427 3.429 1.00 44.41 H new ATOM 0 HG LEU A 62 17.145 -21.183 1.670 1.00 1.42 H new ATOM 0 HD11 LEU A 62 16.667 -18.859 1.002 1.00 1.11 H new ATOM 0 HD12 LEU A 62 15.222 -19.670 1.653 1.00 1.11 H new ATOM 0 HD13 LEU A 62 16.115 -18.503 2.656 1.00 1.11 H new ATOM 0 HD21 LEU A 62 18.915 -19.473 1.813 1.00 30.11 H new ATOM 0 HD22 LEU A 62 18.450 -19.140 3.498 1.00 30.11 H new ATOM 0 HD23 LEU A 62 19.111 -20.732 3.055 1.00 30.11 H new ATOM 914 N GLU A 63 15.527 -21.421 6.740 1.00 54.54 N ATOM 915 CA GLU A 63 14.556 -21.978 7.673 1.00 35.45 C ATOM 916 C GLU A 63 13.725 -20.873 8.320 1.00 63.21 C ATOM 917 O GLU A 63 12.567 -21.083 8.683 1.00 50.41 O ATOM 918 CB GLU A 63 15.266 -22.796 8.754 1.00 34.32 C ATOM 919 CG GLU A 63 14.316 -23.470 9.730 1.00 13.24 C ATOM 920 CD GLU A 63 14.885 -24.751 10.309 1.00 50.15 C ATOM 921 OE1 GLU A 63 15.064 -24.817 11.542 1.00 22.34 O ATOM 922 OE2 GLU A 63 15.151 -25.687 9.526 1.00 31.30 O ATOM 0 H GLU A 63 16.485 -21.737 6.889 1.00 54.54 H new ATOM 0 HA GLU A 63 13.887 -22.631 7.113 1.00 35.45 H new ATOM 0 HB2 GLU A 63 15.882 -23.557 8.276 1.00 34.32 H new ATOM 0 HB3 GLU A 63 15.940 -22.143 9.308 1.00 34.32 H new ATOM 0 HG2 GLU A 63 14.085 -22.780 10.542 1.00 13.24 H new ATOM 0 HG3 GLU A 63 13.377 -23.691 9.223 1.00 13.24 H new ATOM 929 N LEU A 64 14.325 -19.697 8.461 1.00 4.52 N ATOM 930 CA LEU A 64 13.643 -18.557 9.064 1.00 32.03 C ATOM 931 C LEU A 64 12.269 -18.350 8.435 1.00 34.23 C ATOM 932 O LEU A 64 11.332 -17.904 9.099 1.00 44.40 O ATOM 933 CB LEU A 64 14.485 -17.290 8.905 1.00 21.11 C ATOM 934 CG LEU A 64 15.666 -17.144 9.865 1.00 20.23 C ATOM 935 CD1 LEU A 64 16.578 -16.010 9.422 1.00 74.50 C ATOM 936 CD2 LEU A 64 15.173 -16.910 11.286 1.00 53.13 C ATOM 0 H LEU A 64 15.283 -19.507 8.166 1.00 4.52 H new ATOM 0 HA LEU A 64 13.509 -18.766 10.125 1.00 32.03 H new ATOM 0 HB2 LEU A 64 14.866 -17.257 7.884 1.00 21.11 H new ATOM 0 HB3 LEU A 64 13.832 -16.426 9.030 1.00 21.11 H new ATOM 0 HG LEU A 64 16.239 -18.071 9.848 1.00 20.23 H new ATOM 0 HD11 LEU A 64 17.413 -15.921 10.117 1.00 74.50 H new ATOM 0 HD12 LEU A 64 16.959 -16.219 8.422 1.00 74.50 H new ATOM 0 HD13 LEU A 64 16.017 -15.076 9.408 1.00 74.50 H new ATOM 0 HD21 LEU A 64 16.027 -16.808 11.955 1.00 53.13 H new ATOM 0 HD22 LEU A 64 14.576 -15.999 11.319 1.00 53.13 H new ATOM 0 HD23 LEU A 64 14.562 -17.755 11.603 1.00 53.13 H new ATOM 948 N ILE A 65 12.155 -18.680 7.153 1.00 11.32 N ATOM 949 CA ILE A 65 10.894 -18.533 6.436 1.00 23.02 C ATOM 950 C ILE A 65 9.740 -19.145 7.223 1.00 61.13 C ATOM 951 O ILE A 65 8.618 -18.640 7.193 1.00 64.04 O ATOM 952 CB ILE A 65 10.958 -19.190 5.045 1.00 63.31 C ATOM 953 CG1 ILE A 65 12.071 -18.556 4.208 1.00 52.13 C ATOM 954 CG2 ILE A 65 9.617 -19.064 4.337 1.00 5.31 C ATOM 955 CD1 ILE A 65 12.561 -19.442 3.084 1.00 4.20 C ATOM 0 H ILE A 65 12.920 -19.051 6.590 1.00 11.32 H new ATOM 0 HA ILE A 65 10.722 -17.463 6.316 1.00 23.02 H new ATOM 0 HB ILE A 65 11.182 -20.249 5.170 1.00 63.31 H new ATOM 0 HG12 ILE A 65 11.709 -17.617 3.788 1.00 52.13 H new ATOM 0 HG13 ILE A 65 12.910 -18.312 4.859 1.00 52.13 H new ATOM 0 HG21 ILE A 65 9.678 -19.533 3.355 1.00 5.31 H new ATOM 0 HG22 ILE A 65 8.846 -19.558 4.928 1.00 5.31 H new ATOM 0 HG23 ILE A 65 9.365 -18.010 4.220 1.00 5.31 H new ATOM 0 HD11 ILE A 65 13.349 -18.929 2.533 1.00 4.20 H new ATOM 0 HD12 ILE A 65 12.953 -20.371 3.498 1.00 4.20 H new ATOM 0 HD13 ILE A 65 11.734 -19.666 2.410 1.00 4.20 H new ATOM 967 N ALA A 66 10.024 -20.235 7.928 1.00 61.34 N ATOM 968 CA ALA A 66 9.011 -20.914 8.726 1.00 70.43 C ATOM 969 C ALA A 66 8.285 -19.934 9.641 1.00 71.13 C ATOM 970 O ALA A 66 7.057 -19.938 9.720 1.00 11.14 O ATOM 971 CB ALA A 66 9.644 -22.032 9.542 1.00 14.31 C ATOM 0 H ALA A 66 10.947 -20.667 7.963 1.00 61.34 H new ATOM 0 HA ALA A 66 8.277 -21.346 8.046 1.00 70.43 H new ATOM 0 HB1 ALA A 66 8.876 -22.531 10.133 1.00 14.31 H new ATOM 0 HB2 ALA A 66 10.110 -22.753 8.871 1.00 14.31 H new ATOM 0 HB3 ALA A 66 10.400 -21.614 10.207 1.00 14.31 H new ATOM 977 N ALA A 67 9.052 -19.096 10.330 1.00 41.10 N ATOM 978 CA ALA A 67 8.481 -18.109 11.238 1.00 23.24 C ATOM 979 C ALA A 67 7.683 -17.058 10.475 1.00 14.15 C ATOM 980 O ALA A 67 6.645 -16.589 10.946 1.00 22.10 O ATOM 981 CB ALA A 67 9.580 -17.448 12.058 1.00 71.32 C ATOM 0 H ALA A 67 10.070 -19.081 10.277 1.00 41.10 H new ATOM 0 HA ALA A 67 7.799 -18.625 11.914 1.00 23.24 H new ATOM 0 HB1 ALA A 67 9.139 -16.713 12.732 1.00 71.32 H new ATOM 0 HB2 ALA A 67 10.105 -18.205 12.640 1.00 71.32 H new ATOM 0 HB3 ALA A 67 10.284 -16.952 11.390 1.00 71.32 H new ATOM 987 N LEU A 68 8.172 -16.691 9.296 1.00 11.33 N ATOM 988 CA LEU A 68 7.504 -15.693 8.468 1.00 74.24 C ATOM 989 C LEU A 68 6.162 -16.215 7.963 1.00 10.11 C ATOM 990 O LEU A 68 5.206 -15.454 7.813 1.00 34.34 O ATOM 991 CB LEU A 68 8.392 -15.307 7.283 1.00 33.45 C ATOM 992 CG LEU A 68 9.485 -14.278 7.572 1.00 52.23 C ATOM 993 CD1 LEU A 68 10.588 -14.893 8.418 1.00 30.35 C ATOM 994 CD2 LEU A 68 10.053 -13.725 6.273 1.00 54.23 C ATOM 0 H LEU A 68 9.029 -17.069 8.892 1.00 11.33 H new ATOM 0 HA LEU A 68 7.323 -14.810 9.081 1.00 74.24 H new ATOM 0 HB2 LEU A 68 8.864 -16.211 6.899 1.00 33.45 H new ATOM 0 HB3 LEU A 68 7.755 -14.918 6.489 1.00 33.45 H new ATOM 0 HG LEU A 68 9.042 -13.454 8.132 1.00 52.23 H new ATOM 0 HD11 LEU A 68 11.357 -14.145 8.613 1.00 30.35 H new ATOM 0 HD12 LEU A 68 10.171 -15.240 9.363 1.00 30.35 H new ATOM 0 HD13 LEU A 68 11.029 -15.736 7.885 1.00 30.35 H new ATOM 0 HD21 LEU A 68 10.830 -12.994 6.498 1.00 54.23 H new ATOM 0 HD22 LEU A 68 10.479 -14.539 5.687 1.00 54.23 H new ATOM 0 HD23 LEU A 68 9.257 -13.245 5.703 1.00 54.23 H new ATOM 1006 N ARG A 69 6.099 -17.517 7.705 1.00 54.04 N ATOM 1007 CA ARG A 69 4.874 -18.141 7.218 1.00 51.40 C ATOM 1008 C ARG A 69 3.786 -18.110 8.288 1.00 62.13 C ATOM 1009 O ARG A 69 2.630 -17.801 8.001 1.00 0.42 O ATOM 1010 CB ARG A 69 5.146 -19.585 6.793 1.00 52.20 C ATOM 1011 CG ARG A 69 4.200 -20.091 5.716 1.00 21.01 C ATOM 1012 CD ARG A 69 2.781 -20.237 6.244 1.00 45.40 C ATOM 1013 NE ARG A 69 1.982 -21.142 5.423 1.00 23.43 N ATOM 1014 CZ ARG A 69 0.667 -21.281 5.549 1.00 22.11 C ATOM 1015 NH1 ARG A 69 0.007 -20.576 6.457 1.00 31.24 N ATOM 1016 NH2 ARG A 69 0.010 -22.126 4.765 1.00 11.00 N ATOM 0 H ARG A 69 6.881 -18.160 7.825 1.00 54.04 H new ATOM 0 HA ARG A 69 4.526 -17.575 6.354 1.00 51.40 H new ATOM 0 HB2 ARG A 69 6.171 -19.661 6.430 1.00 52.20 H new ATOM 0 HB3 ARG A 69 5.069 -20.233 7.666 1.00 52.20 H new ATOM 0 HG2 ARG A 69 4.206 -19.402 4.872 1.00 21.01 H new ATOM 0 HG3 ARG A 69 4.552 -21.053 5.344 1.00 21.01 H new ATOM 0 HD2 ARG A 69 2.812 -20.609 7.268 1.00 45.40 H new ATOM 0 HD3 ARG A 69 2.303 -19.258 6.274 1.00 45.40 H new ATOM 0 HE ARG A 69 2.460 -21.698 4.714 1.00 23.43 H new ATOM 0 HH11 ARG A 69 0.509 -19.925 7.061 1.00 31.24 H new ATOM 0 HH12 ARG A 69 -1.003 -20.685 6.552 1.00 31.24 H new ATOM 0 HH21 ARG A 69 0.515 -22.670 4.065 1.00 11.00 H new ATOM 0 HH22 ARG A 69 -1.000 -22.232 4.862 1.00 11.00 H new ATOM 1030 N GLN A 70 4.166 -18.434 9.520 1.00 53.34 N ATOM 1031 CA GLN A 70 3.222 -18.444 10.631 1.00 30.41 C ATOM 1032 C GLN A 70 2.858 -17.024 11.050 1.00 3.31 C ATOM 1033 O GLN A 70 1.720 -16.751 11.434 1.00 3.45 O ATOM 1034 CB GLN A 70 3.811 -19.204 11.821 1.00 61.53 C ATOM 1035 CG GLN A 70 5.113 -18.613 12.336 1.00 11.35 C ATOM 1036 CD GLN A 70 5.649 -19.349 13.549 1.00 53.43 C ATOM 1037 OE1 GLN A 70 5.571 -18.854 14.674 1.00 71.42 O ATOM 1038 NE2 GLN A 70 6.197 -20.537 13.325 1.00 33.44 N ATOM 0 H GLN A 70 5.120 -18.693 9.773 1.00 53.34 H new ATOM 0 HA GLN A 70 2.315 -18.949 10.299 1.00 30.41 H new ATOM 0 HB2 GLN A 70 3.082 -19.216 12.631 1.00 61.53 H new ATOM 0 HB3 GLN A 70 3.982 -20.241 11.531 1.00 61.53 H new ATOM 0 HG2 GLN A 70 5.859 -18.639 11.541 1.00 11.35 H new ATOM 0 HG3 GLN A 70 4.956 -17.565 12.592 1.00 11.35 H new ATOM 0 HE21 GLN A 70 6.240 -20.908 12.376 1.00 33.44 H new ATOM 0 HE22 GLN A 70 6.575 -21.079 14.102 1.00 33.44 H new ATOM 1047 N LEU A 71 3.831 -16.122 10.974 1.00 62.52 N ATOM 1048 CA LEU A 71 3.614 -14.729 11.345 1.00 12.45 C ATOM 1049 C LEU A 71 2.671 -14.043 10.362 1.00 60.45 C ATOM 1050 O LEU A 71 2.676 -14.346 9.168 1.00 34.34 O ATOM 1051 CB LEU A 71 4.947 -13.980 11.398 1.00 71.35 C ATOM 1052 CG LEU A 71 5.808 -14.229 12.636 1.00 1.33 C ATOM 1053 CD1 LEU A 71 7.285 -14.105 12.294 1.00 54.34 C ATOM 1054 CD2 LEU A 71 5.434 -13.260 13.749 1.00 31.40 C ATOM 0 H LEU A 71 4.778 -16.331 10.659 1.00 62.52 H new ATOM 0 HA LEU A 71 3.155 -14.710 12.333 1.00 12.45 H new ATOM 0 HB2 LEU A 71 5.528 -14.250 10.516 1.00 71.35 H new ATOM 0 HB3 LEU A 71 4.743 -12.911 11.331 1.00 71.35 H new ATOM 0 HG LEU A 71 5.621 -15.244 12.986 1.00 1.33 H new ATOM 0 HD11 LEU A 71 7.882 -14.286 13.188 1.00 54.34 H new ATOM 0 HD12 LEU A 71 7.544 -14.838 11.530 1.00 54.34 H new ATOM 0 HD13 LEU A 71 7.489 -13.102 11.918 1.00 54.34 H new ATOM 0 HD21 LEU A 71 6.057 -13.452 14.623 1.00 31.40 H new ATOM 0 HD22 LEU A 71 5.591 -12.237 13.409 1.00 31.40 H new ATOM 0 HD23 LEU A 71 4.386 -13.397 14.014 1.00 31.40 H new ATOM 1066 N SER A 72 1.865 -13.117 10.870 1.00 52.22 N ATOM 1067 CA SER A 72 0.915 -12.389 10.036 1.00 21.21 C ATOM 1068 C SER A 72 1.502 -11.057 9.580 1.00 64.13 C ATOM 1069 O SER A 72 0.788 -10.064 9.449 1.00 41.41 O ATOM 1070 CB SER A 72 -0.388 -12.150 10.801 1.00 51.42 C ATOM 1071 OG SER A 72 -1.424 -11.736 9.926 1.00 3.25 O ATOM 0 H SER A 72 1.850 -12.853 11.855 1.00 52.22 H new ATOM 0 HA SER A 72 0.705 -12.994 9.154 1.00 21.21 H new ATOM 0 HB2 SER A 72 -0.685 -13.064 11.315 1.00 51.42 H new ATOM 0 HB3 SER A 72 -0.230 -11.391 11.567 1.00 51.42 H new ATOM 0 HG SER A 72 -1.102 -11.002 9.362 1.00 3.25 H new ATOM 1077 N ALA A 73 2.809 -11.045 9.339 1.00 64.30 N ATOM 1078 CA ALA A 73 3.494 -9.837 8.895 1.00 34.13 C ATOM 1079 C ALA A 73 4.248 -10.081 7.593 1.00 43.52 C ATOM 1080 O ALA A 73 4.360 -9.187 6.753 1.00 65.32 O ATOM 1081 CB ALA A 73 4.445 -9.343 9.975 1.00 63.03 C ATOM 0 H ALA A 73 3.415 -11.859 9.444 1.00 64.30 H new ATOM 0 HA ALA A 73 2.743 -9.069 8.710 1.00 34.13 H new ATOM 0 HB1 ALA A 73 4.950 -8.441 9.630 1.00 63.03 H new ATOM 0 HB2 ALA A 73 3.882 -9.120 10.881 1.00 63.03 H new ATOM 0 HB3 ALA A 73 5.185 -10.114 10.188 1.00 63.03 H new ATOM 1087 N TYR A 74 4.765 -11.294 7.432 1.00 54.34 N ATOM 1088 CA TYR A 74 5.512 -11.653 6.232 1.00 32.33 C ATOM 1089 C TYR A 74 4.767 -12.711 5.423 1.00 24.24 C ATOM 1090 O TYR A 74 4.918 -12.797 4.205 1.00 12.41 O ATOM 1091 CB TYR A 74 6.903 -12.167 6.608 1.00 73.35 C ATOM 1092 CG TYR A 74 7.565 -11.373 7.711 1.00 53.35 C ATOM 1093 CD1 TYR A 74 7.275 -11.626 9.046 1.00 61.23 C ATOM 1094 CD2 TYR A 74 8.479 -10.368 7.418 1.00 74.12 C ATOM 1095 CE1 TYR A 74 7.877 -10.902 10.057 1.00 71.40 C ATOM 1096 CE2 TYR A 74 9.086 -9.640 8.422 1.00 23.45 C ATOM 1097 CZ TYR A 74 8.782 -9.911 9.740 1.00 0.03 C ATOM 1098 OH TYR A 74 9.384 -9.187 10.744 1.00 61.30 O ATOM 0 H TYR A 74 4.681 -12.045 8.117 1.00 54.34 H new ATOM 0 HA TYR A 74 5.616 -10.759 5.617 1.00 32.33 H new ATOM 0 HB2 TYR A 74 6.824 -13.209 6.919 1.00 73.35 H new ATOM 0 HB3 TYR A 74 7.540 -12.146 5.724 1.00 73.35 H new ATOM 0 HD1 TYR A 74 6.567 -12.402 9.298 1.00 61.23 H new ATOM 0 HD2 TYR A 74 8.719 -10.153 6.387 1.00 74.12 H new ATOM 0 HE1 TYR A 74 7.640 -11.111 11.090 1.00 71.40 H new ATOM 0 HE2 TYR A 74 9.795 -8.863 8.177 1.00 23.45 H new ATOM 0 HH TYR A 74 10.274 -8.899 10.451 1.00 61.30 H new ATOM 1108 N ALA A 75 3.963 -13.515 6.111 1.00 23.23 N ATOM 1109 CA ALA A 75 3.193 -14.566 5.458 1.00 33.12 C ATOM 1110 C ALA A 75 2.462 -14.030 4.232 1.00 15.54 C ATOM 1111 O ALA A 75 2.351 -14.714 3.215 1.00 43.43 O ATOM 1112 CB ALA A 75 2.204 -15.182 6.437 1.00 2.24 C ATOM 0 H ALA A 75 3.828 -13.458 7.120 1.00 23.23 H new ATOM 0 HA ALA A 75 3.887 -15.338 5.126 1.00 33.12 H new ATOM 0 HB1 ALA A 75 1.636 -15.965 5.936 1.00 2.24 H new ATOM 0 HB2 ALA A 75 2.746 -15.610 7.281 1.00 2.24 H new ATOM 0 HB3 ALA A 75 1.521 -14.412 6.797 1.00 2.24 H new ATOM 1118 N ASP A 76 1.963 -12.803 4.337 1.00 41.43 N ATOM 1119 CA ASP A 76 1.242 -12.174 3.236 1.00 42.01 C ATOM 1120 C ASP A 76 2.210 -11.676 2.167 1.00 52.31 C ATOM 1121 O ASP A 76 1.910 -11.720 0.973 1.00 4.01 O ATOM 1122 CB ASP A 76 0.391 -11.013 3.752 1.00 2.24 C ATOM 1123 CG ASP A 76 -0.336 -10.287 2.637 1.00 4.15 C ATOM 1124 OD1 ASP A 76 -1.276 -10.873 2.062 1.00 75.21 O ATOM 1125 OD2 ASP A 76 0.036 -9.132 2.341 1.00 73.30 O ATOM 0 H ASP A 76 2.044 -12.224 5.173 1.00 41.43 H new ATOM 0 HA ASP A 76 0.588 -12.922 2.788 1.00 42.01 H new ATOM 0 HB2 ASP A 76 -0.337 -11.391 4.470 1.00 2.24 H new ATOM 0 HB3 ASP A 76 1.029 -10.308 4.285 1.00 2.24 H new ATOM 1130 N THR A 77 3.372 -11.200 2.603 1.00 0.12 N ATOM 1131 CA THR A 77 4.383 -10.691 1.685 1.00 53.02 C ATOM 1132 C THR A 77 4.693 -11.707 0.591 1.00 3.43 C ATOM 1133 O THR A 77 5.020 -12.863 0.859 1.00 31.14 O ATOM 1134 CB THR A 77 5.686 -10.335 2.425 1.00 61.53 C ATOM 1135 OG1 THR A 77 5.449 -9.268 3.350 1.00 71.43 O ATOM 1136 CG2 THR A 77 6.773 -9.929 1.441 1.00 10.42 C ATOM 0 H THR A 77 3.636 -11.156 3.587 1.00 0.12 H new ATOM 0 HA THR A 77 3.974 -9.788 1.233 1.00 53.02 H new ATOM 0 HB THR A 77 6.022 -11.218 2.969 1.00 61.53 H new ATOM 0 HG1 THR A 77 6.282 -9.049 3.817 1.00 71.43 H new ATOM 0 HG21 THR A 77 7.684 -9.682 1.986 1.00 10.42 H new ATOM 0 HG22 THR A 77 6.972 -10.754 0.758 1.00 10.42 H new ATOM 0 HG23 THR A 77 6.443 -9.059 0.873 1.00 10.42 H new ATOM 1144 N PRO A 78 4.591 -11.267 -0.672 1.00 33.42 N ATOM 1145 CA PRO A 78 4.858 -12.123 -1.832 1.00 22.13 C ATOM 1146 C PRO A 78 6.337 -12.469 -1.968 1.00 40.23 C ATOM 1147 O PRO A 78 7.124 -11.675 -2.485 1.00 61.43 O ATOM 1148 CB PRO A 78 4.397 -11.270 -3.016 1.00 12.12 C ATOM 1149 CG PRO A 78 4.511 -9.864 -2.537 1.00 44.21 C ATOM 1150 CD PRO A 78 4.206 -9.901 -1.065 1.00 64.41 C ATOM 0 HA PRO A 78 4.347 -13.083 -1.757 1.00 22.13 H new ATOM 0 HB2 PRO A 78 5.020 -11.441 -3.894 1.00 12.12 H new ATOM 0 HB3 PRO A 78 3.373 -11.509 -3.301 1.00 12.12 H new ATOM 0 HG2 PRO A 78 5.511 -9.470 -2.718 1.00 44.21 H new ATOM 0 HG3 PRO A 78 3.812 -9.214 -3.064 1.00 44.21 H new ATOM 0 HD2 PRO A 78 4.775 -9.150 -0.518 1.00 64.41 H new ATOM 0 HD3 PRO A 78 3.151 -9.708 -0.868 1.00 64.41 H new ATOM 1158 N ILE A 79 6.708 -13.657 -1.503 1.00 14.34 N ATOM 1159 CA ILE A 79 8.092 -14.107 -1.575 1.00 20.01 C ATOM 1160 C ILE A 79 8.346 -14.902 -2.851 1.00 74.21 C ATOM 1161 O ILE A 79 7.549 -15.762 -3.228 1.00 72.54 O ATOM 1162 CB ILE A 79 8.466 -14.976 -0.359 1.00 53.23 C ATOM 1163 CG1 ILE A 79 8.342 -14.165 0.932 1.00 12.31 C ATOM 1164 CG2 ILE A 79 9.876 -15.524 -0.514 1.00 4.03 C ATOM 1165 CD1 ILE A 79 9.258 -12.962 0.981 1.00 60.14 C ATOM 0 H ILE A 79 6.069 -14.325 -1.072 1.00 14.34 H new ATOM 0 HA ILE A 79 8.715 -13.212 -1.577 1.00 20.01 H new ATOM 0 HB ILE A 79 7.775 -15.817 -0.305 1.00 53.23 H new ATOM 0 HG12 ILE A 79 7.311 -13.831 1.044 1.00 12.31 H new ATOM 0 HG13 ILE A 79 8.561 -14.813 1.781 1.00 12.31 H new ATOM 0 HG21 ILE A 79 10.126 -16.136 0.353 1.00 4.03 H new ATOM 0 HG22 ILE A 79 9.933 -16.133 -1.416 1.00 4.03 H new ATOM 0 HG23 ILE A 79 10.582 -14.697 -0.590 1.00 4.03 H new ATOM 0 HD11 ILE A 79 9.116 -12.435 1.924 1.00 60.14 H new ATOM 0 HD12 ILE A 79 10.294 -13.290 0.901 1.00 60.14 H new ATOM 0 HD13 ILE A 79 9.025 -12.293 0.153 1.00 60.14 H new ATOM 1177 N LEU A 80 9.461 -14.611 -3.511 1.00 53.55 N ATOM 1178 CA LEU A 80 9.822 -15.300 -4.746 1.00 15.34 C ATOM 1179 C LEU A 80 11.202 -15.938 -4.629 1.00 50.02 C ATOM 1180 O LEU A 80 12.193 -15.255 -4.370 1.00 63.52 O ATOM 1181 CB LEU A 80 9.796 -14.324 -5.924 1.00 33.52 C ATOM 1182 CG LEU A 80 8.462 -13.625 -6.187 1.00 12.21 C ATOM 1183 CD1 LEU A 80 7.310 -14.612 -6.077 1.00 23.22 C ATOM 1184 CD2 LEU A 80 8.267 -12.466 -5.220 1.00 25.12 C ATOM 0 H LEU A 80 10.131 -13.903 -3.212 1.00 53.55 H new ATOM 0 HA LEU A 80 9.091 -16.089 -4.921 1.00 15.34 H new ATOM 0 HB2 LEU A 80 10.556 -13.561 -5.755 1.00 33.52 H new ATOM 0 HB3 LEU A 80 10.083 -14.866 -6.825 1.00 33.52 H new ATOM 0 HG LEU A 80 8.477 -13.227 -7.202 1.00 12.21 H new ATOM 0 HD11 LEU A 80 6.369 -14.096 -6.267 1.00 23.22 H new ATOM 0 HD12 LEU A 80 7.442 -15.408 -6.810 1.00 23.22 H new ATOM 0 HD13 LEU A 80 7.292 -15.040 -5.075 1.00 23.22 H new ATOM 0 HD21 LEU A 80 7.312 -11.980 -5.422 1.00 25.12 H new ATOM 0 HD22 LEU A 80 8.274 -12.841 -4.197 1.00 25.12 H new ATOM 0 HD23 LEU A 80 9.075 -11.746 -5.348 1.00 25.12 H new ATOM 1196 N VAL A 81 11.259 -17.252 -4.824 1.00 44.44 N ATOM 1197 CA VAL A 81 12.519 -17.982 -4.745 1.00 33.13 C ATOM 1198 C VAL A 81 13.032 -18.346 -6.133 1.00 53.14 C ATOM 1199 O VAL A 81 12.257 -18.714 -7.017 1.00 74.20 O ATOM 1200 CB VAL A 81 12.369 -19.269 -3.911 1.00 45.32 C ATOM 1201 CG1 VAL A 81 11.448 -20.255 -4.612 1.00 33.11 C ATOM 1202 CG2 VAL A 81 13.731 -19.893 -3.648 1.00 23.40 C ATOM 0 H VAL A 81 10.448 -17.832 -5.038 1.00 44.44 H new ATOM 0 HA VAL A 81 13.237 -17.323 -4.258 1.00 33.13 H new ATOM 0 HB VAL A 81 11.921 -19.010 -2.951 1.00 45.32 H new ATOM 0 HG11 VAL A 81 11.354 -21.158 -4.008 1.00 33.11 H new ATOM 0 HG12 VAL A 81 10.465 -19.803 -4.745 1.00 33.11 H new ATOM 0 HG13 VAL A 81 11.864 -20.512 -5.586 1.00 33.11 H new ATOM 0 HG21 VAL A 81 13.607 -20.801 -3.058 1.00 23.40 H new ATOM 0 HG22 VAL A 81 14.208 -20.139 -4.597 1.00 23.40 H new ATOM 0 HG23 VAL A 81 14.355 -19.187 -3.101 1.00 23.40 H new ATOM 1212 N LEU A 82 14.343 -18.241 -6.320 1.00 12.12 N ATOM 1213 CA LEU A 82 14.961 -18.560 -7.602 1.00 43.40 C ATOM 1214 C LEU A 82 15.228 -20.057 -7.721 1.00 10.22 C ATOM 1215 O LEU A 82 15.482 -20.735 -6.725 1.00 1.34 O ATOM 1216 CB LEU A 82 16.268 -17.783 -7.767 1.00 45.52 C ATOM 1217 CG LEU A 82 16.187 -16.274 -7.531 1.00 51.01 C ATOM 1218 CD1 LEU A 82 17.412 -15.785 -6.775 1.00 25.11 C ATOM 1219 CD2 LEU A 82 16.043 -15.534 -8.853 1.00 64.21 C ATOM 0 H LEU A 82 14.999 -17.937 -5.600 1.00 12.12 H new ATOM 0 HA LEU A 82 14.270 -18.269 -8.393 1.00 43.40 H new ATOM 0 HB2 LEU A 82 17.004 -18.199 -7.079 1.00 45.52 H new ATOM 0 HB3 LEU A 82 16.643 -17.953 -8.776 1.00 45.52 H new ATOM 0 HG LEU A 82 15.305 -16.068 -6.924 1.00 51.01 H new ATOM 0 HD11 LEU A 82 17.336 -14.709 -6.617 1.00 25.11 H new ATOM 0 HD12 LEU A 82 17.471 -16.291 -5.811 1.00 25.11 H new ATOM 0 HD13 LEU A 82 18.309 -16.004 -7.355 1.00 25.11 H new ATOM 0 HD21 LEU A 82 15.987 -14.462 -8.666 1.00 64.21 H new ATOM 0 HD22 LEU A 82 16.905 -15.747 -9.485 1.00 64.21 H new ATOM 0 HD23 LEU A 82 15.134 -15.862 -9.357 1.00 64.21 H new ATOM 1231 N THR A 83 15.170 -20.568 -8.947 1.00 5.51 N ATOM 1232 CA THR A 83 15.407 -21.984 -9.197 1.00 13.23 C ATOM 1233 C THR A 83 16.127 -22.195 -10.523 1.00 61.54 C ATOM 1234 O THR A 83 16.317 -21.256 -11.296 1.00 41.41 O ATOM 1235 CB THR A 83 14.088 -22.780 -9.209 1.00 51.41 C ATOM 1236 OG1 THR A 83 14.363 -24.184 -9.265 1.00 5.33 O ATOM 1237 CG2 THR A 83 13.225 -22.380 -10.397 1.00 5.53 C ATOM 0 H THR A 83 14.961 -20.022 -9.783 1.00 5.51 H new ATOM 0 HA THR A 83 16.035 -22.348 -8.384 1.00 13.23 H new ATOM 0 HB THR A 83 13.545 -22.553 -8.292 1.00 51.41 H new ATOM 0 HG1 THR A 83 13.869 -24.585 -10.011 1.00 5.33 H new ATOM 0 HG21 THR A 83 12.299 -22.955 -10.384 1.00 5.53 H new ATOM 0 HG22 THR A 83 12.992 -21.317 -10.336 1.00 5.53 H new ATOM 0 HG23 THR A 83 13.764 -22.581 -11.323 1.00 5.53 H new ATOM 1245 N THR A 84 16.527 -23.437 -10.783 1.00 54.42 N ATOM 1246 CA THR A 84 17.227 -23.772 -12.017 1.00 12.33 C ATOM 1247 C THR A 84 16.659 -25.039 -12.644 1.00 73.35 C ATOM 1248 O THR A 84 16.508 -25.125 -13.863 1.00 14.04 O ATOM 1249 CB THR A 84 18.735 -23.965 -11.772 1.00 22.23 C ATOM 1250 OG1 THR A 84 19.373 -24.416 -12.972 1.00 53.42 O ATOM 1251 CG2 THR A 84 18.978 -24.970 -10.655 1.00 54.42 C ATOM 0 H THR A 84 16.378 -24.227 -10.155 1.00 54.42 H new ATOM 0 HA THR A 84 17.082 -22.935 -12.700 1.00 12.33 H new ATOM 0 HB THR A 84 19.157 -23.005 -11.475 1.00 22.23 H new ATOM 0 HG1 THR A 84 20.332 -24.535 -12.808 1.00 53.42 H new ATOM 0 HG21 THR A 84 20.050 -25.090 -10.500 1.00 54.42 H new ATOM 0 HG22 THR A 84 18.517 -24.610 -9.735 1.00 54.42 H new ATOM 0 HG23 THR A 84 18.541 -25.931 -10.928 1.00 54.42 H new ATOM 1259 N GLU A 85 16.345 -26.021 -11.805 1.00 3.04 N ATOM 1260 CA GLU A 85 15.794 -27.285 -12.279 1.00 54.53 C ATOM 1261 C GLU A 85 14.474 -27.061 -13.012 1.00 14.13 C ATOM 1262 O GLU A 85 14.412 -27.133 -14.238 1.00 52.42 O ATOM 1263 CB GLU A 85 15.583 -28.247 -11.108 1.00 42.33 C ATOM 1264 CG GLU A 85 16.862 -28.915 -10.632 1.00 70.03 C ATOM 1265 CD GLU A 85 17.232 -30.127 -11.465 1.00 35.20 C ATOM 1266 OE1 GLU A 85 18.318 -30.697 -11.233 1.00 5.24 O ATOM 1267 OE2 GLU A 85 16.435 -30.506 -12.349 1.00 32.14 O ATOM 0 H GLU A 85 16.463 -25.965 -10.793 1.00 3.04 H new ATOM 0 HA GLU A 85 16.508 -27.725 -12.976 1.00 54.53 H new ATOM 0 HB2 GLU A 85 15.137 -27.702 -10.276 1.00 42.33 H new ATOM 0 HB3 GLU A 85 14.870 -29.016 -11.404 1.00 42.33 H new ATOM 0 HG2 GLU A 85 17.678 -28.193 -10.665 1.00 70.03 H new ATOM 0 HG3 GLU A 85 16.744 -29.216 -9.591 1.00 70.03 H new ATOM 1274 N GLY A 86 13.419 -26.790 -12.249 1.00 13.11 N ATOM 1275 CA GLY A 86 12.114 -26.561 -12.842 1.00 0.35 C ATOM 1276 C GLY A 86 11.160 -27.714 -12.606 1.00 75.51 C ATOM 1277 O GLY A 86 10.374 -28.068 -13.485 1.00 74.10 O ATOM 0 H GLY A 86 13.445 -26.725 -11.231 1.00 13.11 H new ATOM 0 HA2 GLY A 86 11.685 -25.648 -12.428 1.00 0.35 H new ATOM 0 HA3 GLY A 86 12.228 -26.402 -13.914 1.00 0.35 H new ATOM 1281 N SER A 87 11.228 -28.304 -11.417 1.00 24.21 N ATOM 1282 CA SER A 87 10.367 -29.429 -11.070 1.00 42.23 C ATOM 1283 C SER A 87 9.430 -29.062 -9.924 1.00 31.14 C ATOM 1284 O SER A 87 9.851 -28.476 -8.926 1.00 41.34 O ATOM 1285 CB SER A 87 11.211 -30.645 -10.685 1.00 23.10 C ATOM 1286 OG SER A 87 10.519 -31.852 -10.954 1.00 63.10 O ATOM 0 H SER A 87 11.871 -28.022 -10.677 1.00 24.21 H new ATOM 0 HA SER A 87 9.764 -29.677 -11.944 1.00 42.23 H new ATOM 0 HB2 SER A 87 12.150 -30.630 -11.238 1.00 23.10 H new ATOM 0 HB3 SER A 87 11.464 -30.595 -9.626 1.00 23.10 H new ATOM 0 HG SER A 87 11.080 -32.614 -10.701 1.00 63.10 H new ATOM 1292 N ASP A 88 8.157 -29.412 -10.074 1.00 2.24 N ATOM 1293 CA ASP A 88 7.159 -29.121 -9.051 1.00 71.21 C ATOM 1294 C ASP A 88 7.604 -29.649 -7.691 1.00 63.40 C ATOM 1295 O ASP A 88 7.264 -29.083 -6.653 1.00 22.24 O ATOM 1296 CB ASP A 88 5.812 -29.735 -9.434 1.00 74.42 C ATOM 1297 CG ASP A 88 5.410 -29.408 -10.859 1.00 63.11 C ATOM 1298 OD1 ASP A 88 4.608 -28.470 -11.049 1.00 41.23 O ATOM 1299 OD2 ASP A 88 5.899 -30.090 -11.784 1.00 41.41 O ATOM 0 H ASP A 88 7.792 -29.897 -10.894 1.00 2.24 H new ATOM 0 HA ASP A 88 7.050 -28.039 -8.982 1.00 71.21 H new ATOM 0 HB2 ASP A 88 5.862 -30.817 -9.313 1.00 74.42 H new ATOM 0 HB3 ASP A 88 5.044 -29.373 -8.751 1.00 74.42 H new ATOM 1304 N ALA A 89 8.366 -30.738 -7.705 1.00 62.24 N ATOM 1305 CA ALA A 89 8.859 -31.342 -6.474 1.00 32.24 C ATOM 1306 C ALA A 89 9.792 -30.392 -5.731 1.00 40.22 C ATOM 1307 O ALA A 89 9.857 -30.404 -4.502 1.00 1.02 O ATOM 1308 CB ALA A 89 9.569 -32.653 -6.776 1.00 60.30 C ATOM 0 H ALA A 89 8.655 -31.220 -8.556 1.00 62.24 H new ATOM 0 HA ALA A 89 8.003 -31.545 -5.831 1.00 32.24 H new ATOM 0 HB1 ALA A 89 9.932 -33.093 -5.847 1.00 60.30 H new ATOM 0 HB2 ALA A 89 8.873 -33.341 -7.256 1.00 60.30 H new ATOM 0 HB3 ALA A 89 10.411 -32.466 -7.442 1.00 60.30 H new ATOM 1314 N PHE A 90 10.514 -29.569 -6.485 1.00 73.33 N ATOM 1315 CA PHE A 90 11.445 -28.613 -5.898 1.00 61.13 C ATOM 1316 C PHE A 90 10.697 -27.445 -5.262 1.00 31.41 C ATOM 1317 O PHE A 90 10.921 -27.109 -4.099 1.00 42.41 O ATOM 1318 CB PHE A 90 12.414 -28.093 -6.963 1.00 31.54 C ATOM 1319 CG PHE A 90 13.750 -27.688 -6.410 1.00 3.11 C ATOM 1320 CD1 PHE A 90 13.881 -26.535 -5.653 1.00 14.14 C ATOM 1321 CD2 PHE A 90 14.876 -28.460 -6.647 1.00 41.10 C ATOM 1322 CE1 PHE A 90 15.109 -26.159 -5.144 1.00 23.14 C ATOM 1323 CE2 PHE A 90 16.108 -28.089 -6.140 1.00 74.32 C ATOM 1324 CZ PHE A 90 16.224 -26.938 -5.387 1.00 11.14 C ATOM 0 H PHE A 90 10.472 -29.545 -7.504 1.00 73.33 H new ATOM 0 HA PHE A 90 12.011 -29.126 -5.120 1.00 61.13 H new ATOM 0 HB2 PHE A 90 12.561 -28.866 -7.718 1.00 31.54 H new ATOM 0 HB3 PHE A 90 11.963 -27.238 -7.466 1.00 31.54 H new ATOM 0 HD1 PHE A 90 13.013 -25.923 -5.459 1.00 14.14 H new ATOM 0 HD2 PHE A 90 14.790 -29.362 -7.235 1.00 41.10 H new ATOM 0 HE1 PHE A 90 15.197 -25.257 -4.557 1.00 23.14 H new ATOM 0 HE2 PHE A 90 16.978 -28.699 -6.333 1.00 74.32 H new ATOM 0 HZ PHE A 90 17.185 -26.647 -4.988 1.00 11.14 H new ATOM 1334 N LYS A 91 9.807 -26.831 -6.033 1.00 55.51 N ATOM 1335 CA LYS A 91 9.023 -25.701 -5.547 1.00 44.31 C ATOM 1336 C LYS A 91 8.159 -26.109 -4.358 1.00 71.05 C ATOM 1337 O LYS A 91 7.909 -25.309 -3.457 1.00 74.24 O ATOM 1338 CB LYS A 91 8.140 -25.147 -6.667 1.00 40.42 C ATOM 1339 CG LYS A 91 6.953 -26.033 -7.000 1.00 73.25 C ATOM 1340 CD LYS A 91 6.028 -25.371 -8.008 1.00 33.02 C ATOM 1341 CE LYS A 91 4.852 -24.692 -7.322 1.00 41.54 C ATOM 1342 NZ LYS A 91 3.677 -24.567 -8.229 1.00 64.53 N ATOM 0 H LYS A 91 9.610 -27.097 -6.998 1.00 55.51 H new ATOM 0 HA LYS A 91 9.715 -24.925 -5.221 1.00 44.31 H new ATOM 0 HB2 LYS A 91 7.777 -24.161 -6.378 1.00 40.42 H new ATOM 0 HB3 LYS A 91 8.746 -25.013 -7.563 1.00 40.42 H new ATOM 0 HG2 LYS A 91 7.308 -26.983 -7.400 1.00 73.25 H new ATOM 0 HG3 LYS A 91 6.399 -26.258 -6.089 1.00 73.25 H new ATOM 0 HD2 LYS A 91 6.586 -24.636 -8.588 1.00 33.02 H new ATOM 0 HD3 LYS A 91 5.659 -26.118 -8.711 1.00 33.02 H new ATOM 0 HE2 LYS A 91 4.569 -25.263 -6.437 1.00 41.54 H new ATOM 0 HE3 LYS A 91 5.153 -23.702 -6.980 1.00 41.54 H new ATOM 0 HZ1 LYS A 91 2.897 -24.099 -7.724 1.00 64.53 H new ATOM 0 HZ2 LYS A 91 3.939 -24.001 -9.061 1.00 64.53 H new ATOM 0 HZ3 LYS A 91 3.373 -25.513 -8.536 1.00 64.53 H new ATOM 1356 N ALA A 92 7.707 -27.359 -4.363 1.00 1.12 N ATOM 1357 CA ALA A 92 6.874 -27.874 -3.283 1.00 40.32 C ATOM 1358 C ALA A 92 7.509 -27.603 -1.923 1.00 74.13 C ATOM 1359 O ALA A 92 6.811 -27.350 -0.942 1.00 10.23 O ATOM 1360 CB ALA A 92 6.633 -29.365 -3.468 1.00 13.41 C ATOM 0 H ALA A 92 7.904 -28.033 -5.103 1.00 1.12 H new ATOM 0 HA ALA A 92 5.916 -27.355 -3.317 1.00 40.32 H new ATOM 0 HB1 ALA A 92 6.010 -29.736 -2.655 1.00 13.41 H new ATOM 0 HB2 ALA A 92 6.129 -29.537 -4.419 1.00 13.41 H new ATOM 0 HB3 ALA A 92 7.588 -29.891 -3.463 1.00 13.41 H new ATOM 1366 N ALA A 93 8.835 -27.659 -1.873 1.00 25.21 N ATOM 1367 CA ALA A 93 9.564 -27.419 -0.633 1.00 53.24 C ATOM 1368 C ALA A 93 9.652 -25.927 -0.329 1.00 64.22 C ATOM 1369 O ALA A 93 9.560 -25.513 0.826 1.00 70.11 O ATOM 1370 CB ALA A 93 10.956 -28.027 -0.713 1.00 2.11 C ATOM 0 H ALA A 93 9.427 -27.868 -2.677 1.00 25.21 H new ATOM 0 HA ALA A 93 9.018 -27.897 0.180 1.00 53.24 H new ATOM 0 HB1 ALA A 93 11.489 -27.840 0.219 1.00 2.11 H new ATOM 0 HB2 ALA A 93 10.875 -29.102 -0.875 1.00 2.11 H new ATOM 0 HB3 ALA A 93 11.503 -27.575 -1.540 1.00 2.11 H new ATOM 1376 N ALA A 94 9.833 -25.125 -1.373 1.00 51.22 N ATOM 1377 CA ALA A 94 9.933 -23.679 -1.217 1.00 73.03 C ATOM 1378 C ALA A 94 8.665 -23.105 -0.593 1.00 61.34 C ATOM 1379 O ALA A 94 8.728 -22.326 0.357 1.00 12.15 O ATOM 1380 CB ALA A 94 10.206 -23.021 -2.562 1.00 3.15 C ATOM 0 H ALA A 94 9.913 -25.452 -2.336 1.00 51.22 H new ATOM 0 HA ALA A 94 10.765 -23.467 -0.545 1.00 73.03 H new ATOM 0 HB1 ALA A 94 10.278 -21.941 -2.431 1.00 3.15 H new ATOM 0 HB2 ALA A 94 11.143 -23.401 -2.969 1.00 3.15 H new ATOM 0 HB3 ALA A 94 9.392 -23.249 -3.250 1.00 3.15 H new ATOM 1386 N ARG A 95 7.516 -23.495 -1.135 1.00 72.21 N ATOM 1387 CA ARG A 95 6.233 -23.018 -0.632 1.00 43.34 C ATOM 1388 C ARG A 95 5.929 -23.617 0.737 1.00 31.43 C ATOM 1389 O ARG A 95 5.344 -22.960 1.598 1.00 52.41 O ATOM 1390 CB ARG A 95 5.114 -23.368 -1.614 1.00 50.15 C ATOM 1391 CG ARG A 95 3.740 -22.902 -1.163 1.00 35.12 C ATOM 1392 CD ARG A 95 2.803 -22.702 -2.344 1.00 70.31 C ATOM 1393 NE ARG A 95 1.822 -21.650 -2.093 1.00 33.22 N ATOM 1394 CZ ARG A 95 0.902 -21.278 -2.975 1.00 55.54 C ATOM 1395 NH1 ARG A 95 0.837 -21.869 -4.160 1.00 51.34 N ATOM 1396 NH2 ARG A 95 0.043 -20.312 -2.673 1.00 41.10 N ATOM 0 H ARG A 95 7.447 -24.140 -1.922 1.00 72.21 H new ATOM 0 HA ARG A 95 6.292 -21.934 -0.530 1.00 43.34 H new ATOM 0 HB2 ARG A 95 5.340 -22.922 -2.583 1.00 50.15 H new ATOM 0 HB3 ARG A 95 5.093 -24.448 -1.758 1.00 50.15 H new ATOM 0 HG2 ARG A 95 3.313 -23.635 -0.479 1.00 35.12 H new ATOM 0 HG3 ARG A 95 3.835 -21.967 -0.610 1.00 35.12 H new ATOM 0 HD2 ARG A 95 3.386 -22.450 -3.230 1.00 70.31 H new ATOM 0 HD3 ARG A 95 2.285 -23.637 -2.558 1.00 70.31 H new ATOM 0 HE ARG A 95 1.845 -21.175 -1.191 1.00 33.22 H new ATOM 0 HH11 ARG A 95 1.495 -22.612 -4.396 1.00 51.34 H new ATOM 0 HH12 ARG A 95 0.129 -21.581 -4.835 1.00 51.34 H new ATOM 0 HH21 ARG A 95 0.089 -19.855 -1.762 1.00 41.10 H new ATOM 0 HH22 ARG A 95 -0.663 -20.027 -3.352 1.00 41.10 H new ATOM 1410 N ASP A 96 6.329 -24.869 0.931 1.00 23.04 N ATOM 1411 CA ASP A 96 6.100 -25.558 2.196 1.00 1.33 C ATOM 1412 C ASP A 96 6.727 -24.789 3.355 1.00 0.31 C ATOM 1413 O ASP A 96 6.144 -24.688 4.434 1.00 32.40 O ATOM 1414 CB ASP A 96 6.671 -26.975 2.140 1.00 23.45 C ATOM 1415 CG ASP A 96 6.831 -27.590 3.517 1.00 13.01 C ATOM 1416 OD1 ASP A 96 7.901 -27.398 4.132 1.00 74.23 O ATOM 1417 OD2 ASP A 96 5.886 -28.264 3.980 1.00 40.43 O ATOM 0 H ASP A 96 6.813 -25.428 0.228 1.00 23.04 H new ATOM 0 HA ASP A 96 5.024 -25.615 2.361 1.00 1.33 H new ATOM 0 HB2 ASP A 96 6.015 -27.604 1.538 1.00 23.45 H new ATOM 0 HB3 ASP A 96 7.639 -26.954 1.640 1.00 23.45 H new ATOM 1422 N ALA A 97 7.919 -24.248 3.124 1.00 61.50 N ATOM 1423 CA ALA A 97 8.625 -23.488 4.148 1.00 74.00 C ATOM 1424 C ALA A 97 7.925 -22.162 4.427 1.00 61.03 C ATOM 1425 O ALA A 97 7.901 -21.688 5.562 1.00 64.03 O ATOM 1426 CB ALA A 97 10.067 -23.248 3.727 1.00 11.21 C ATOM 0 H ALA A 97 8.416 -24.322 2.236 1.00 61.50 H new ATOM 0 HA ALA A 97 8.620 -24.072 5.068 1.00 74.00 H new ATOM 0 HB1 ALA A 97 10.582 -22.679 4.501 1.00 11.21 H new ATOM 0 HB2 ALA A 97 10.569 -24.205 3.585 1.00 11.21 H new ATOM 0 HB3 ALA A 97 10.085 -22.687 2.792 1.00 11.21 H new ATOM 1432 N GLY A 98 7.356 -21.567 3.382 1.00 4.03 N ATOM 1433 CA GLY A 98 6.665 -20.300 3.536 1.00 32.51 C ATOM 1434 C GLY A 98 6.965 -19.335 2.407 1.00 63.02 C ATOM 1435 O GLY A 98 7.092 -18.131 2.628 1.00 65.12 O ATOM 0 H GLY A 98 7.361 -21.940 2.433 1.00 4.03 H new ATOM 0 HA2 GLY A 98 5.591 -20.479 3.581 1.00 32.51 H new ATOM 0 HA3 GLY A 98 6.953 -19.846 4.484 1.00 32.51 H new ATOM 1439 N ALA A 99 7.081 -19.864 1.193 1.00 13.01 N ATOM 1440 CA ALA A 99 7.368 -19.041 0.025 1.00 11.41 C ATOM 1441 C ALA A 99 6.135 -18.895 -0.861 1.00 22.23 C ATOM 1442 O ALA A 99 5.566 -19.887 -1.319 1.00 12.53 O ATOM 1443 CB ALA A 99 8.523 -19.634 -0.768 1.00 30.12 C ATOM 0 H ALA A 99 6.981 -20.859 0.993 1.00 13.01 H new ATOM 0 HA ALA A 99 7.653 -18.048 0.373 1.00 11.41 H new ATOM 0 HB1 ALA A 99 8.726 -19.009 -1.637 1.00 30.12 H new ATOM 0 HB2 ALA A 99 9.411 -19.679 -0.138 1.00 30.12 H new ATOM 0 HB3 ALA A 99 8.260 -20.639 -1.097 1.00 30.12 H new ATOM 1449 N THR A 100 5.726 -17.653 -1.099 1.00 2.24 N ATOM 1450 CA THR A 100 4.560 -17.378 -1.928 1.00 13.32 C ATOM 1451 C THR A 100 4.650 -18.107 -3.264 1.00 5.35 C ATOM 1452 O THR A 100 3.756 -18.869 -3.628 1.00 24.44 O ATOM 1453 CB THR A 100 4.400 -15.868 -2.190 1.00 31.24 C ATOM 1454 OG1 THR A 100 4.246 -15.170 -0.949 1.00 52.53 O ATOM 1455 CG2 THR A 100 3.198 -15.598 -3.082 1.00 61.13 C ATOM 0 H THR A 100 6.186 -16.821 -0.729 1.00 2.24 H new ATOM 0 HA THR A 100 3.690 -17.738 -1.379 1.00 13.32 H new ATOM 0 HB THR A 100 5.296 -15.512 -2.698 1.00 31.24 H new ATOM 0 HG1 THR A 100 3.378 -14.715 -0.935 1.00 52.53 H new ATOM 0 HG21 THR A 100 3.105 -14.525 -3.253 1.00 61.13 H new ATOM 0 HG22 THR A 100 3.331 -16.107 -4.036 1.00 61.13 H new ATOM 0 HG23 THR A 100 2.295 -15.967 -2.597 1.00 61.13 H new ATOM 1463 N GLY A 101 5.738 -17.867 -3.991 1.00 33.54 N ATOM 1464 CA GLY A 101 5.925 -18.510 -5.278 1.00 41.14 C ATOM 1465 C GLY A 101 7.387 -18.620 -5.664 1.00 31.31 C ATOM 1466 O GLY A 101 8.267 -18.201 -4.912 1.00 61.14 O ATOM 0 H GLY A 101 6.492 -17.239 -3.711 1.00 33.54 H new ATOM 0 HA2 GLY A 101 5.484 -19.506 -5.251 1.00 41.14 H new ATOM 0 HA3 GLY A 101 5.392 -17.946 -6.043 1.00 41.14 H new ATOM 1470 N TRP A 102 7.646 -19.187 -6.837 1.00 23.14 N ATOM 1471 CA TRP A 102 9.013 -19.353 -7.319 1.00 74.15 C ATOM 1472 C TRP A 102 9.113 -19.000 -8.799 1.00 65.33 C ATOM 1473 O TRP A 102 8.102 -18.915 -9.497 1.00 1.05 O ATOM 1474 CB TRP A 102 9.485 -20.790 -7.092 1.00 11.14 C ATOM 1475 CG TRP A 102 8.990 -21.750 -8.131 1.00 11.32 C ATOM 1476 CD1 TRP A 102 7.786 -21.712 -8.774 1.00 73.10 C ATOM 1477 CD2 TRP A 102 9.686 -22.890 -8.645 1.00 22.20 C ATOM 1478 NE1 TRP A 102 7.691 -22.761 -9.657 1.00 45.41 N ATOM 1479 CE2 TRP A 102 8.845 -23.498 -9.598 1.00 14.55 C ATOM 1480 CE3 TRP A 102 10.939 -23.456 -8.395 1.00 61.32 C ATOM 1481 CZ2 TRP A 102 9.217 -24.642 -10.297 1.00 62.12 C ATOM 1482 CZ3 TRP A 102 11.307 -24.592 -9.090 1.00 62.52 C ATOM 1483 CH2 TRP A 102 10.449 -25.175 -10.033 1.00 24.25 C ATOM 0 H TRP A 102 6.929 -19.539 -7.471 1.00 23.14 H new ATOM 0 HA TRP A 102 9.655 -18.675 -6.758 1.00 74.15 H new ATOM 0 HB2 TRP A 102 10.575 -20.809 -7.080 1.00 11.14 H new ATOM 0 HB3 TRP A 102 9.150 -21.124 -6.110 1.00 11.14 H new ATOM 0 HD1 TRP A 102 7.021 -20.967 -8.612 1.00 73.10 H new ATOM 0 HE1 TRP A 102 6.891 -22.959 -10.259 1.00 45.41 H new ATOM 0 HE3 TRP A 102 11.608 -23.013 -7.672 1.00 61.32 H new ATOM 0 HZ2 TRP A 102 8.556 -25.093 -11.022 1.00 62.12 H new ATOM 0 HZ3 TRP A 102 12.272 -25.039 -8.904 1.00 62.52 H new ATOM 0 HH2 TRP A 102 10.767 -26.062 -10.561 1.00 24.25 H new ATOM 1494 N ILE A 103 10.338 -18.797 -9.272 1.00 43.34 N ATOM 1495 CA ILE A 103 10.570 -18.455 -10.670 1.00 53.43 C ATOM 1496 C ILE A 103 11.924 -18.970 -11.145 1.00 40.34 C ATOM 1497 O ILE A 103 12.738 -19.430 -10.346 1.00 65.33 O ATOM 1498 CB ILE A 103 10.504 -16.932 -10.896 1.00 21.53 C ATOM 1499 CG1 ILE A 103 11.057 -16.190 -9.677 1.00 72.32 C ATOM 1500 CG2 ILE A 103 9.074 -16.501 -11.182 1.00 13.41 C ATOM 1501 CD1 ILE A 103 12.480 -16.571 -9.332 1.00 15.20 C ATOM 0 H ILE A 103 11.185 -18.863 -8.708 1.00 43.34 H new ATOM 0 HA ILE A 103 9.779 -18.934 -11.247 1.00 53.43 H new ATOM 0 HB ILE A 103 11.118 -16.680 -11.761 1.00 21.53 H new ATOM 0 HG12 ILE A 103 11.012 -15.117 -9.864 1.00 72.32 H new ATOM 0 HG13 ILE A 103 10.417 -16.391 -8.818 1.00 72.32 H new ATOM 0 HG21 ILE A 103 9.044 -15.423 -11.339 1.00 13.41 H new ATOM 0 HG22 ILE A 103 8.713 -17.009 -12.076 1.00 13.41 H new ATOM 0 HG23 ILE A 103 8.439 -16.762 -10.335 1.00 13.41 H new ATOM 0 HD11 ILE A 103 12.806 -16.007 -8.458 1.00 15.20 H new ATOM 0 HD12 ILE A 103 12.528 -17.638 -9.113 1.00 15.20 H new ATOM 0 HD13 ILE A 103 13.132 -16.344 -10.175 1.00 15.20 H new ATOM 1513 N GLU A 104 12.158 -18.886 -12.451 1.00 73.55 N ATOM 1514 CA GLU A 104 13.415 -19.344 -13.033 1.00 14.35 C ATOM 1515 C GLU A 104 14.355 -18.169 -13.286 1.00 65.45 C ATOM 1516 O GLU A 104 14.040 -17.260 -14.054 1.00 75.22 O ATOM 1517 CB GLU A 104 13.154 -20.095 -14.340 1.00 3.21 C ATOM 1518 CG GLU A 104 12.214 -21.279 -14.185 1.00 44.40 C ATOM 1519 CD GLU A 104 12.417 -22.329 -15.260 1.00 1.03 C ATOM 1520 OE1 GLU A 104 13.212 -22.079 -16.190 1.00 53.13 O ATOM 1521 OE2 GLU A 104 11.782 -23.400 -15.171 1.00 34.13 O ATOM 0 H GLU A 104 11.494 -18.505 -13.126 1.00 73.55 H new ATOM 0 HA GLU A 104 13.890 -20.021 -12.323 1.00 14.35 H new ATOM 0 HB2 GLU A 104 12.735 -19.402 -15.070 1.00 3.21 H new ATOM 0 HB3 GLU A 104 14.104 -20.446 -14.743 1.00 3.21 H new ATOM 0 HG2 GLU A 104 12.366 -21.733 -13.206 1.00 44.40 H new ATOM 0 HG3 GLU A 104 11.183 -20.926 -14.217 1.00 44.40 H new ATOM 1528 N LYS A 105 15.514 -18.195 -12.636 1.00 35.54 N ATOM 1529 CA LYS A 105 16.502 -17.135 -12.790 1.00 24.14 C ATOM 1530 C LYS A 105 17.480 -17.462 -13.914 1.00 21.01 C ATOM 1531 O LYS A 105 17.634 -18.614 -14.320 1.00 32.12 O ATOM 1532 CB LYS A 105 17.266 -16.927 -11.480 1.00 20.43 C ATOM 1533 CG LYS A 105 18.608 -17.638 -11.439 1.00 34.35 C ATOM 1534 CD LYS A 105 18.442 -19.146 -11.525 1.00 25.44 C ATOM 1535 CE LYS A 105 19.686 -19.811 -12.096 1.00 35.55 C ATOM 1536 NZ LYS A 105 19.349 -20.790 -13.167 1.00 12.25 N ATOM 0 H LYS A 105 15.792 -18.940 -11.997 1.00 35.54 H new ATOM 0 HA LYS A 105 15.975 -16.216 -13.046 1.00 24.14 H new ATOM 0 HB2 LYS A 105 17.425 -15.860 -11.327 1.00 20.43 H new ATOM 0 HB3 LYS A 105 16.652 -17.279 -10.651 1.00 20.43 H new ATOM 0 HG2 LYS A 105 19.230 -17.292 -12.265 1.00 34.35 H new ATOM 0 HG3 LYS A 105 19.130 -17.380 -10.517 1.00 34.35 H new ATOM 0 HD2 LYS A 105 18.236 -19.548 -10.533 1.00 25.44 H new ATOM 0 HD3 LYS A 105 17.581 -19.384 -12.150 1.00 25.44 H new ATOM 0 HE2 LYS A 105 20.354 -19.049 -12.498 1.00 35.55 H new ATOM 0 HE3 LYS A 105 20.226 -20.319 -11.297 1.00 35.55 H new ATOM 0 HZ1 LYS A 105 20.200 -21.330 -13.424 1.00 12.25 H new ATOM 0 HZ2 LYS A 105 18.616 -21.442 -12.823 1.00 12.25 H new ATOM 0 HZ3 LYS A 105 18.996 -20.282 -14.003 1.00 12.25 H new ATOM 1550 N PRO A 106 18.159 -16.426 -14.429 1.00 75.12 N ATOM 1551 CA PRO A 106 17.983 -15.050 -13.954 1.00 64.35 C ATOM 1552 C PRO A 106 16.623 -14.475 -14.334 1.00 43.32 C ATOM 1553 O PRO A 106 15.847 -15.111 -15.048 1.00 43.20 O ATOM 1554 CB PRO A 106 19.104 -14.285 -14.663 1.00 23.35 C ATOM 1555 CG PRO A 106 19.391 -15.082 -15.889 1.00 15.43 C ATOM 1556 CD PRO A 106 19.149 -16.518 -15.515 1.00 54.04 C ATOM 0 HA PRO A 106 18.025 -14.985 -12.867 1.00 64.35 H new ATOM 0 HB2 PRO A 106 18.794 -13.271 -14.914 1.00 23.35 H new ATOM 0 HB3 PRO A 106 19.987 -14.201 -14.030 1.00 23.35 H new ATOM 0 HG2 PRO A 106 18.744 -14.779 -16.712 1.00 15.43 H new ATOM 0 HG3 PRO A 106 20.419 -14.933 -16.220 1.00 15.43 H new ATOM 0 HD2 PRO A 106 18.768 -17.094 -16.358 1.00 54.04 H new ATOM 0 HD3 PRO A 106 20.065 -17.007 -15.183 1.00 54.04 H new ATOM 1564 N ILE A 107 16.341 -13.269 -13.853 1.00 43.33 N ATOM 1565 CA ILE A 107 15.075 -12.608 -14.144 1.00 42.33 C ATOM 1566 C ILE A 107 15.292 -11.345 -14.972 1.00 34.14 C ATOM 1567 O ILE A 107 16.267 -10.621 -14.774 1.00 1.42 O ATOM 1568 CB ILE A 107 14.323 -12.239 -12.852 1.00 53.52 C ATOM 1569 CG1 ILE A 107 14.222 -13.455 -11.930 1.00 1.15 C ATOM 1570 CG2 ILE A 107 12.938 -11.700 -13.181 1.00 22.31 C ATOM 1571 CD1 ILE A 107 13.391 -14.581 -12.503 1.00 32.11 C ATOM 0 H ILE A 107 16.972 -12.730 -13.260 1.00 43.33 H new ATOM 0 HA ILE A 107 14.473 -13.315 -14.715 1.00 42.33 H new ATOM 0 HB ILE A 107 14.881 -11.459 -12.334 1.00 53.52 H new ATOM 0 HG12 ILE A 107 15.225 -13.826 -11.720 1.00 1.15 H new ATOM 0 HG13 ILE A 107 13.791 -13.144 -10.978 1.00 1.15 H new ATOM 0 HG21 ILE A 107 12.419 -11.444 -12.258 1.00 22.31 H new ATOM 0 HG22 ILE A 107 13.032 -10.810 -13.803 1.00 22.31 H new ATOM 0 HG23 ILE A 107 12.370 -12.460 -13.718 1.00 22.31 H new ATOM 0 HD11 ILE A 107 13.363 -15.409 -11.795 1.00 32.11 H new ATOM 0 HD12 ILE A 107 12.377 -14.227 -12.687 1.00 32.11 H new ATOM 0 HD13 ILE A 107 13.833 -14.919 -13.440 1.00 32.11 H new ATOM 1583 N ASP A 108 14.375 -11.087 -15.898 1.00 13.15 N ATOM 1584 CA ASP A 108 14.463 -9.910 -16.754 1.00 0.33 C ATOM 1585 C ASP A 108 14.149 -8.641 -15.967 1.00 51.12 C ATOM 1586 O ASP A 108 13.481 -8.671 -14.934 1.00 34.45 O ATOM 1587 CB ASP A 108 13.504 -10.041 -17.938 1.00 42.01 C ATOM 1588 CG ASP A 108 14.233 -10.182 -19.260 1.00 51.40 C ATOM 1589 OD1 ASP A 108 15.298 -10.834 -19.284 1.00 15.53 O ATOM 1590 OD2 ASP A 108 13.739 -9.639 -20.271 1.00 30.01 O ATOM 0 H ASP A 108 13.562 -11.677 -16.075 1.00 13.15 H new ATOM 0 HA ASP A 108 15.484 -9.840 -17.130 1.00 0.33 H new ATOM 0 HB2 ASP A 108 12.861 -10.908 -17.787 1.00 42.01 H new ATOM 0 HB3 ASP A 108 12.856 -9.166 -17.975 1.00 42.01 H new ATOM 1595 N PRO A 109 14.642 -7.498 -16.466 1.00 3.32 N ATOM 1596 CA PRO A 109 14.428 -6.197 -15.825 1.00 55.22 C ATOM 1597 C PRO A 109 12.979 -5.731 -15.929 1.00 61.52 C ATOM 1598 O PRO A 109 12.438 -5.140 -14.996 1.00 23.33 O ATOM 1599 CB PRO A 109 15.348 -5.259 -16.610 1.00 1.32 C ATOM 1600 CG PRO A 109 15.500 -5.905 -17.943 1.00 70.15 C ATOM 1601 CD PRO A 109 15.447 -7.387 -17.694 1.00 4.02 C ATOM 0 HA PRO A 109 14.641 -6.229 -14.756 1.00 55.22 H new ATOM 0 HB2 PRO A 109 14.914 -4.263 -16.700 1.00 1.32 H new ATOM 0 HB3 PRO A 109 16.312 -5.143 -16.114 1.00 1.32 H new ATOM 0 HG2 PRO A 109 14.704 -5.594 -18.620 1.00 70.15 H new ATOM 0 HG3 PRO A 109 16.444 -5.621 -18.409 1.00 70.15 H new ATOM 0 HD2 PRO A 109 14.985 -7.918 -18.526 1.00 4.02 H new ATOM 0 HD3 PRO A 109 16.444 -7.808 -17.561 1.00 4.02 H new ATOM 1609 N GLY A 110 12.355 -6.003 -17.072 1.00 5.02 N ATOM 1610 CA GLY A 110 10.975 -5.605 -17.276 1.00 71.11 C ATOM 1611 C GLY A 110 10.001 -6.471 -16.501 1.00 43.22 C ATOM 1612 O GLY A 110 8.958 -5.996 -16.052 1.00 3.50 O ATOM 0 H GLY A 110 12.781 -6.492 -17.859 1.00 5.02 H new ATOM 0 HA2 GLY A 110 10.852 -4.565 -16.974 1.00 71.11 H new ATOM 0 HA3 GLY A 110 10.738 -5.658 -18.339 1.00 71.11 H new ATOM 1616 N VAL A 111 10.341 -7.746 -16.345 1.00 72.50 N ATOM 1617 CA VAL A 111 9.489 -8.681 -15.620 1.00 33.13 C ATOM 1618 C VAL A 111 9.580 -8.454 -14.115 1.00 53.30 C ATOM 1619 O VAL A 111 8.562 -8.333 -13.432 1.00 1.45 O ATOM 1620 CB VAL A 111 9.866 -10.142 -15.931 1.00 14.32 C ATOM 1621 CG1 VAL A 111 8.981 -11.100 -15.148 1.00 22.03 C ATOM 1622 CG2 VAL A 111 9.765 -10.411 -17.425 1.00 5.23 C ATOM 0 H VAL A 111 11.201 -8.155 -16.711 1.00 72.50 H new ATOM 0 HA VAL A 111 8.467 -8.499 -15.951 1.00 33.13 H new ATOM 0 HB VAL A 111 10.899 -10.306 -15.624 1.00 14.32 H new ATOM 0 HG11 VAL A 111 9.262 -12.127 -15.380 1.00 22.03 H new ATOM 0 HG12 VAL A 111 9.108 -10.922 -14.080 1.00 22.03 H new ATOM 0 HG13 VAL A 111 7.938 -10.938 -15.422 1.00 22.03 H new ATOM 0 HG21 VAL A 111 10.035 -11.448 -17.627 1.00 5.23 H new ATOM 0 HG22 VAL A 111 8.743 -10.230 -17.759 1.00 5.23 H new ATOM 0 HG23 VAL A 111 10.445 -9.748 -17.961 1.00 5.23 H new ATOM 1632 N LEU A 112 10.805 -8.396 -13.604 1.00 54.12 N ATOM 1633 CA LEU A 112 11.030 -8.182 -12.179 1.00 32.12 C ATOM 1634 C LEU A 112 10.250 -6.970 -11.680 1.00 41.42 C ATOM 1635 O LEU A 112 9.702 -6.981 -10.578 1.00 75.31 O ATOM 1636 CB LEU A 112 12.522 -7.993 -11.901 1.00 0.31 C ATOM 1637 CG LEU A 112 12.907 -7.745 -10.442 1.00 30.51 C ATOM 1638 CD1 LEU A 112 13.465 -9.014 -9.815 1.00 1.41 C ATOM 1639 CD2 LEU A 112 13.915 -6.610 -10.341 1.00 63.23 C ATOM 0 H LEU A 112 11.658 -8.494 -14.155 1.00 54.12 H new ATOM 0 HA LEU A 112 10.676 -9.063 -11.644 1.00 32.12 H new ATOM 0 HB2 LEU A 112 13.051 -8.880 -12.250 1.00 0.31 H new ATOM 0 HB3 LEU A 112 12.879 -7.154 -12.498 1.00 0.31 H new ATOM 0 HG LEU A 112 12.010 -7.456 -9.894 1.00 30.51 H new ATOM 0 HD11 LEU A 112 13.734 -8.819 -8.777 1.00 1.41 H new ATOM 0 HD12 LEU A 112 12.711 -9.801 -9.853 1.00 1.41 H new ATOM 0 HD13 LEU A 112 14.350 -9.333 -10.365 1.00 1.41 H new ATOM 0 HD21 LEU A 112 14.177 -6.448 -9.295 1.00 63.23 H new ATOM 0 HD22 LEU A 112 14.812 -6.869 -10.904 1.00 63.23 H new ATOM 0 HD23 LEU A 112 13.479 -5.699 -10.751 1.00 63.23 H new ATOM 1651 N VAL A 113 10.203 -5.924 -12.500 1.00 64.42 N ATOM 1652 CA VAL A 113 9.488 -4.705 -12.144 1.00 51.13 C ATOM 1653 C VAL A 113 7.981 -4.936 -12.132 1.00 10.43 C ATOM 1654 O VAL A 113 7.258 -4.332 -11.340 1.00 32.10 O ATOM 1655 CB VAL A 113 9.813 -3.558 -13.120 1.00 74.54 C ATOM 1656 CG1 VAL A 113 9.006 -2.316 -12.773 1.00 24.44 C ATOM 1657 CG2 VAL A 113 11.304 -3.257 -13.110 1.00 15.30 C ATOM 0 H VAL A 113 10.652 -5.897 -13.415 1.00 64.42 H new ATOM 0 HA VAL A 113 9.818 -4.425 -11.144 1.00 51.13 H new ATOM 0 HB VAL A 113 9.536 -3.871 -14.127 1.00 74.54 H new ATOM 0 HG11 VAL A 113 9.249 -1.517 -13.473 1.00 24.44 H new ATOM 0 HG12 VAL A 113 7.942 -2.544 -12.837 1.00 24.44 H new ATOM 0 HG13 VAL A 113 9.248 -1.996 -11.759 1.00 24.44 H new ATOM 0 HG21 VAL A 113 11.516 -2.444 -13.805 1.00 15.30 H new ATOM 0 HG22 VAL A 113 11.609 -2.964 -12.105 1.00 15.30 H new ATOM 0 HG23 VAL A 113 11.857 -4.146 -13.412 1.00 15.30 H new ATOM 1667 N GLU A 114 7.515 -5.813 -13.015 1.00 32.45 N ATOM 1668 CA GLU A 114 6.093 -6.123 -13.105 1.00 32.44 C ATOM 1669 C GLU A 114 5.616 -6.859 -11.855 1.00 40.24 C ATOM 1670 O GLU A 114 4.556 -6.554 -11.308 1.00 54.40 O ATOM 1671 CB GLU A 114 5.810 -6.970 -14.347 1.00 65.33 C ATOM 1672 CG GLU A 114 5.838 -6.178 -15.643 1.00 53.42 C ATOM 1673 CD GLU A 114 6.204 -7.031 -16.842 1.00 31.22 C ATOM 1674 OE1 GLU A 114 6.727 -6.475 -17.830 1.00 0.24 O ATOM 1675 OE2 GLU A 114 5.967 -8.257 -16.791 1.00 42.51 O ATOM 0 H GLU A 114 8.101 -6.321 -13.678 1.00 32.45 H new ATOM 0 HA GLU A 114 5.547 -5.183 -13.183 1.00 32.44 H new ATOM 0 HB2 GLU A 114 6.546 -7.772 -14.405 1.00 65.33 H new ATOM 0 HB3 GLU A 114 4.833 -7.441 -14.240 1.00 65.33 H new ATOM 0 HG2 GLU A 114 4.860 -5.726 -15.809 1.00 53.42 H new ATOM 0 HG3 GLU A 114 6.555 -5.362 -15.550 1.00 53.42 H new ATOM 1682 N LEU A 115 6.406 -7.829 -11.410 1.00 61.50 N ATOM 1683 CA LEU A 115 6.066 -8.610 -10.226 1.00 32.05 C ATOM 1684 C LEU A 115 5.735 -7.698 -9.049 1.00 13.32 C ATOM 1685 O LEU A 115 4.781 -7.942 -8.309 1.00 42.14 O ATOM 1686 CB LEU A 115 7.222 -9.541 -9.855 1.00 14.25 C ATOM 1687 CG LEU A 115 7.201 -10.927 -10.500 1.00 41.32 C ATOM 1688 CD1 LEU A 115 6.122 -11.793 -9.870 1.00 74.14 C ATOM 1689 CD2 LEU A 115 6.987 -10.812 -12.002 1.00 73.14 C ATOM 0 H LEU A 115 7.287 -8.094 -11.851 1.00 61.50 H new ATOM 0 HA LEU A 115 5.185 -9.209 -10.457 1.00 32.05 H new ATOM 0 HB2 LEU A 115 8.158 -9.051 -10.125 1.00 14.25 H new ATOM 0 HB3 LEU A 115 7.228 -9.666 -8.772 1.00 14.25 H new ATOM 0 HG LEU A 115 8.166 -11.403 -10.326 1.00 41.32 H new ATOM 0 HD11 LEU A 115 6.122 -12.776 -10.342 1.00 74.14 H new ATOM 0 HD12 LEU A 115 6.320 -11.903 -8.804 1.00 74.14 H new ATOM 0 HD13 LEU A 115 5.149 -11.323 -10.012 1.00 74.14 H new ATOM 0 HD21 LEU A 115 6.975 -11.808 -12.445 1.00 73.14 H new ATOM 0 HD22 LEU A 115 6.036 -10.316 -12.197 1.00 73.14 H new ATOM 0 HD23 LEU A 115 7.797 -10.229 -12.441 1.00 73.14 H new ATOM 1701 N VAL A 116 6.528 -6.644 -8.882 1.00 53.12 N ATOM 1702 CA VAL A 116 6.317 -5.693 -7.798 1.00 2.44 C ATOM 1703 C VAL A 116 5.283 -4.641 -8.182 1.00 55.00 C ATOM 1704 O VAL A 116 4.520 -4.169 -7.340 1.00 34.13 O ATOM 1705 CB VAL A 116 7.629 -4.987 -7.407 1.00 65.11 C ATOM 1706 CG1 VAL A 116 8.196 -4.219 -8.592 1.00 21.42 C ATOM 1707 CG2 VAL A 116 7.404 -4.062 -6.221 1.00 21.35 C ATOM 0 H VAL A 116 7.322 -6.428 -9.484 1.00 53.12 H new ATOM 0 HA VAL A 116 5.951 -6.264 -6.944 1.00 2.44 H new ATOM 0 HB VAL A 116 8.355 -5.745 -7.114 1.00 65.11 H new ATOM 0 HG11 VAL A 116 9.123 -3.727 -8.297 1.00 21.42 H new ATOM 0 HG12 VAL A 116 8.397 -4.910 -9.411 1.00 21.42 H new ATOM 0 HG13 VAL A 116 7.475 -3.469 -8.918 1.00 21.42 H new ATOM 0 HG21 VAL A 116 8.342 -3.572 -5.959 1.00 21.35 H new ATOM 0 HG22 VAL A 116 6.661 -3.308 -6.483 1.00 21.35 H new ATOM 0 HG23 VAL A 116 7.047 -4.642 -5.370 1.00 21.35 H new ATOM 1717 N ALA A 117 5.262 -4.278 -9.460 1.00 63.45 N ATOM 1718 CA ALA A 117 4.319 -3.284 -9.958 1.00 25.23 C ATOM 1719 C ALA A 117 2.892 -3.628 -9.548 1.00 34.52 C ATOM 1720 O ALA A 117 2.194 -2.813 -8.943 1.00 60.40 O ATOM 1721 CB ALA A 117 4.423 -3.169 -11.471 1.00 70.44 C ATOM 0 H ALA A 117 5.888 -4.658 -10.170 1.00 63.45 H new ATOM 0 HA ALA A 117 4.575 -2.322 -9.514 1.00 25.23 H new ATOM 0 HB1 ALA A 117 3.713 -2.423 -11.829 1.00 70.44 H new ATOM 0 HB2 ALA A 117 5.434 -2.868 -11.744 1.00 70.44 H new ATOM 0 HB3 ALA A 117 4.196 -4.133 -11.926 1.00 70.44 H new ATOM 1727 N THR A 118 2.461 -4.841 -9.881 1.00 70.34 N ATOM 1728 CA THR A 118 1.116 -5.293 -9.550 1.00 15.43 C ATOM 1729 C THR A 118 0.813 -5.080 -8.071 1.00 0.31 C ATOM 1730 O THR A 118 -0.320 -4.775 -7.696 1.00 11.00 O ATOM 1731 CB THR A 118 0.922 -6.782 -9.892 1.00 41.13 C ATOM 1732 OG1 THR A 118 -0.424 -7.179 -9.609 1.00 30.15 O ATOM 1733 CG2 THR A 118 1.890 -7.649 -9.101 1.00 74.22 C ATOM 0 H THR A 118 3.025 -5.528 -10.380 1.00 70.34 H new ATOM 0 HA THR A 118 0.427 -4.698 -10.150 1.00 15.43 H new ATOM 0 HB THR A 118 1.123 -6.917 -10.955 1.00 41.13 H new ATOM 0 HG1 THR A 118 -0.539 -8.127 -9.831 1.00 30.15 H new ATOM 0 HG21 THR A 118 1.734 -8.697 -9.359 1.00 74.22 H new ATOM 0 HG22 THR A 118 2.914 -7.364 -9.342 1.00 74.22 H new ATOM 0 HG23 THR A 118 1.716 -7.508 -8.034 1.00 74.22 H new ATOM 1741 N LEU A 119 1.832 -5.241 -7.234 1.00 42.13 N ATOM 1742 CA LEU A 119 1.675 -5.065 -5.795 1.00 25.34 C ATOM 1743 C LEU A 119 1.567 -3.587 -5.435 1.00 3.10 C ATOM 1744 O LEU A 119 0.721 -3.193 -4.632 1.00 25.41 O ATOM 1745 CB LEU A 119 2.854 -5.698 -5.052 1.00 42.55 C ATOM 1746 CG LEU A 119 3.315 -7.063 -5.564 1.00 42.32 C ATOM 1747 CD1 LEU A 119 4.569 -7.512 -4.830 1.00 61.35 C ATOM 1748 CD2 LEU A 119 2.206 -8.093 -5.409 1.00 11.11 C ATOM 0 H LEU A 119 2.776 -5.493 -7.527 1.00 42.13 H new ATOM 0 HA LEU A 119 0.753 -5.562 -5.492 1.00 25.34 H new ATOM 0 HB2 LEU A 119 3.699 -5.010 -5.099 1.00 42.55 H new ATOM 0 HB3 LEU A 119 2.583 -5.799 -4.001 1.00 42.55 H new ATOM 0 HG LEU A 119 3.552 -6.971 -6.624 1.00 42.32 H new ATOM 0 HD11 LEU A 119 4.883 -8.485 -5.207 1.00 61.35 H new ATOM 0 HD12 LEU A 119 5.365 -6.786 -4.993 1.00 61.35 H new ATOM 0 HD13 LEU A 119 4.359 -7.587 -3.763 1.00 61.35 H new ATOM 0 HD21 LEU A 119 2.552 -9.058 -5.778 1.00 11.11 H new ATOM 0 HD22 LEU A 119 1.937 -8.182 -4.357 1.00 11.11 H new ATOM 0 HD23 LEU A 119 1.333 -7.777 -5.981 1.00 11.11 H new ATOM 1760 N SER A 120 2.428 -2.772 -6.037 1.00 23.35 N ATOM 1761 CA SER A 120 2.431 -1.337 -5.779 1.00 32.14 C ATOM 1762 C SER A 120 1.117 -0.703 -6.225 1.00 10.32 C ATOM 1763 O SER A 120 0.480 0.028 -5.467 1.00 42.42 O ATOM 1764 CB SER A 120 3.603 -0.670 -6.500 1.00 4.11 C ATOM 1765 OG SER A 120 3.320 0.689 -6.786 1.00 74.31 O ATOM 0 H SER A 120 3.132 -3.081 -6.707 1.00 23.35 H new ATOM 0 HA SER A 120 2.542 -1.186 -4.705 1.00 32.14 H new ATOM 0 HB2 SER A 120 4.499 -0.736 -5.882 1.00 4.11 H new ATOM 0 HB3 SER A 120 3.815 -1.203 -7.427 1.00 4.11 H new ATOM 0 HG SER A 120 4.086 1.093 -7.246 1.00 74.31 H new