USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 615 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 29 LYS NZ :NH3+ 177:sc= 0.157 (180deg=-0.335) USER MOD Set 1.2: A 64 TYR OH : rot 3:sc= 0.7 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.26 (180deg=0.819) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0.502 USER MOD Single : A 36 SER OG : rot 52:sc= 0.235 USER MOD Single : A 37 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 49 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.3!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 105:sc= -2.27! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -127:sc= 0.554 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.322 8.580 9.683 1.00 12.02 N ATOM 2 CA MET A 1 -5.316 7.496 8.667 1.00 65.23 C ATOM 3 C MET A 1 -4.366 6.343 9.075 1.00 63.22 C ATOM 4 O MET A 1 -3.484 6.518 9.923 1.00 62.03 O ATOM 5 CB MET A 1 -4.932 8.067 7.271 1.00 3.30 C ATOM 6 CG MET A 1 -6.011 8.963 6.632 1.00 61.40 C ATOM 7 SD MET A 1 -6.420 10.414 7.633 1.00 60.32 S ATOM 8 CE MET A 1 -7.732 11.173 6.663 1.00 14.34 C ATOM 0 H1 MET A 1 -5.724 9.444 9.266 1.00 12.02 H new ATOM 0 H2 MET A 1 -5.898 8.288 10.498 1.00 12.02 H new ATOM 0 H3 MET A 1 -4.348 8.767 9.997 1.00 12.02 H new ATOM 0 HA MET A 1 -6.323 7.082 8.608 1.00 65.23 H new ATOM 0 HB2 MET A 1 -4.011 8.641 7.368 1.00 3.30 H new ATOM 0 HB3 MET A 1 -4.721 7.236 6.598 1.00 3.30 H new ATOM 0 HG2 MET A 1 -5.667 9.292 5.652 1.00 61.40 H new ATOM 0 HG3 MET A 1 -6.914 8.374 6.472 1.00 61.40 H new ATOM 0 HE1 MET A 1 -8.078 12.077 7.163 1.00 14.34 H new ATOM 0 HE2 MET A 1 -7.352 11.428 5.674 1.00 14.34 H new ATOM 0 HE3 MET A 1 -8.562 10.474 6.563 1.00 14.34 H new ATOM 18 N THR A 2 -4.569 5.171 8.449 1.00 14.43 N ATOM 19 CA THR A 2 -3.839 3.916 8.763 1.00 22.15 C ATOM 20 C THR A 2 -2.390 3.965 8.184 1.00 32.31 C ATOM 21 O THR A 2 -2.155 3.546 7.055 1.00 33.23 O ATOM 22 CB THR A 2 -4.662 2.688 8.193 1.00 72.31 C ATOM 23 OG1 THR A 2 -6.026 2.778 8.643 1.00 60.32 O ATOM 24 CG2 THR A 2 -4.103 1.308 8.600 1.00 72.01 C ATOM 0 H THR A 2 -5.252 5.060 7.700 1.00 14.43 H new ATOM 0 HA THR A 2 -3.744 3.800 9.843 1.00 22.15 H new ATOM 0 HB THR A 2 -4.585 2.753 7.108 1.00 72.31 H new ATOM 0 HG1 THR A 2 -6.538 2.020 8.290 1.00 60.32 H new ATOM 0 HG21 THR A 2 -4.724 0.522 8.169 1.00 72.01 H new ATOM 0 HG22 THR A 2 -3.082 1.206 8.233 1.00 72.01 H new ATOM 0 HG23 THR A 2 -4.108 1.219 9.686 1.00 72.01 H new ATOM 32 N ARG A 3 -1.436 4.542 8.960 1.00 22.34 N ATOM 33 CA ARG A 3 -0.043 4.814 8.480 1.00 42.43 C ATOM 34 C ARG A 3 0.920 3.622 8.724 1.00 12.51 C ATOM 35 O ARG A 3 0.743 2.847 9.670 1.00 41.44 O ATOM 36 CB ARG A 3 0.551 6.080 9.163 1.00 54.02 C ATOM 37 CG ARG A 3 -0.332 7.345 9.097 1.00 15.03 C ATOM 38 CD ARG A 3 0.450 8.637 9.420 1.00 74.00 C ATOM 39 NE ARG A 3 1.166 8.574 10.705 1.00 63.31 N ATOM 40 CZ ARG A 3 1.865 9.559 11.233 1.00 0.13 C ATOM 41 NH1 ARG A 3 1.906 10.732 10.686 1.00 72.41 N ATOM 42 NH2 ARG A 3 2.503 9.361 12.328 1.00 24.33 N ATOM 0 H ARG A 3 -1.601 4.831 9.924 1.00 22.34 H new ATOM 0 HA ARG A 3 -0.128 4.974 7.405 1.00 42.43 H new ATOM 0 HB2 ARG A 3 0.747 5.849 10.210 1.00 54.02 H new ATOM 0 HB3 ARG A 3 1.512 6.304 8.701 1.00 54.02 H new ATOM 0 HG2 ARG A 3 -0.766 7.428 8.101 1.00 15.03 H new ATOM 0 HG3 ARG A 3 -1.160 7.242 9.798 1.00 15.03 H new ATOM 0 HD2 ARG A 3 1.166 8.830 8.621 1.00 74.00 H new ATOM 0 HD3 ARG A 3 -0.242 9.479 9.438 1.00 74.00 H new ATOM 0 HE ARG A 3 1.117 7.699 11.228 1.00 63.31 H new ATOM 0 HH11 ARG A 3 1.389 10.912 9.825 1.00 72.41 H new ATOM 0 HH12 ARG A 3 2.455 11.476 11.116 1.00 72.41 H new ATOM 0 HH21 ARG A 3 2.466 8.448 12.782 1.00 24.33 H new ATOM 0 HH22 ARG A 3 3.047 10.116 12.745 1.00 24.33 H new ATOM 56 N VAL A 4 1.958 3.516 7.858 1.00 1.12 N ATOM 57 CA VAL A 4 3.010 2.459 7.930 1.00 10.15 C ATOM 58 C VAL A 4 4.412 3.067 7.616 1.00 54.14 C ATOM 59 O VAL A 4 4.555 3.853 6.679 1.00 21.14 O ATOM 60 CB VAL A 4 2.705 1.270 6.925 1.00 44.52 C ATOM 61 CG1 VAL A 4 3.858 0.228 6.877 1.00 14.23 C ATOM 62 CG2 VAL A 4 1.359 0.567 7.266 1.00 72.44 C ATOM 0 H VAL A 4 2.094 4.164 7.082 1.00 1.12 H new ATOM 0 HA VAL A 4 3.008 2.059 8.944 1.00 10.15 H new ATOM 0 HB VAL A 4 2.622 1.719 5.935 1.00 44.52 H new ATOM 0 HG11 VAL A 4 3.602 -0.566 6.175 1.00 14.23 H new ATOM 0 HG12 VAL A 4 4.777 0.717 6.553 1.00 14.23 H new ATOM 0 HG13 VAL A 4 4.005 -0.198 7.869 1.00 14.23 H new ATOM 0 HG21 VAL A 4 1.182 -0.242 6.558 1.00 72.44 H new ATOM 0 HG22 VAL A 4 1.406 0.161 8.276 1.00 72.44 H new ATOM 0 HG23 VAL A 4 0.545 1.289 7.203 1.00 72.44 H new ATOM 72 N ARG A 5 5.441 2.704 8.418 1.00 51.45 N ATOM 73 CA ARG A 5 6.850 3.132 8.176 1.00 32.44 C ATOM 74 C ARG A 5 7.628 2.053 7.359 1.00 50.21 C ATOM 75 O ARG A 5 7.376 0.854 7.508 1.00 1.12 O ATOM 76 CB ARG A 5 7.582 3.418 9.525 1.00 42.04 C ATOM 77 CG ARG A 5 9.001 4.039 9.369 1.00 55.34 C ATOM 78 CD ARG A 5 9.797 4.104 10.690 1.00 54.43 C ATOM 79 NE ARG A 5 9.193 4.990 11.699 1.00 3.23 N ATOM 80 CZ ARG A 5 9.581 5.077 12.959 1.00 71.52 C ATOM 81 NH1 ARG A 5 10.542 4.334 13.424 1.00 33.43 N ATOM 82 NH2 ARG A 5 8.993 5.917 13.741 1.00 52.40 N ATOM 0 H ARG A 5 5.326 2.114 9.242 1.00 51.45 H new ATOM 0 HA ARG A 5 6.823 4.053 7.593 1.00 32.44 H new ATOM 0 HB2 ARG A 5 6.968 4.092 10.122 1.00 42.04 H new ATOM 0 HB3 ARG A 5 7.666 2.486 10.083 1.00 42.04 H new ATOM 0 HG2 ARG A 5 9.566 3.455 8.643 1.00 55.34 H new ATOM 0 HG3 ARG A 5 8.905 5.046 8.963 1.00 55.34 H new ATOM 0 HD2 ARG A 5 9.880 3.099 11.104 1.00 54.43 H new ATOM 0 HD3 ARG A 5 10.810 4.446 10.478 1.00 54.43 H new ATOM 0 HE ARG A 5 8.416 5.581 11.403 1.00 3.23 H new ATOM 0 HH11 ARG A 5 11.013 3.667 12.812 1.00 33.43 H new ATOM 0 HH12 ARG A 5 10.825 4.418 14.400 1.00 33.43 H new ATOM 0 HH21 ARG A 5 8.239 6.504 13.385 1.00 52.40 H new ATOM 0 HH22 ARG A 5 9.282 5.995 14.716 1.00 52.40 H new ATOM 96 N SER A 6 8.561 2.499 6.492 1.00 33.23 N ATOM 97 CA SER A 6 9.448 1.600 5.700 1.00 61.31 C ATOM 98 C SER A 6 10.918 2.095 5.749 1.00 14.32 C ATOM 99 O SER A 6 11.161 3.270 6.015 1.00 72.22 O ATOM 100 CB SER A 6 8.956 1.528 4.234 1.00 3.21 C ATOM 101 OG SER A 6 9.789 0.692 3.435 1.00 4.13 O ATOM 0 H SER A 6 8.726 3.490 6.316 1.00 33.23 H new ATOM 0 HA SER A 6 9.409 0.602 6.138 1.00 61.31 H new ATOM 0 HB2 SER A 6 7.934 1.150 4.212 1.00 3.21 H new ATOM 0 HB3 SER A 6 8.934 2.531 3.809 1.00 3.21 H new ATOM 0 HG SER A 6 9.446 0.670 2.517 1.00 4.13 H new ATOM 107 N THR A 7 11.891 1.187 5.520 1.00 54.13 N ATOM 108 CA THR A 7 13.338 1.546 5.429 1.00 55.13 C ATOM 109 C THR A 7 13.715 2.018 4.003 1.00 4.55 C ATOM 110 O THR A 7 13.160 1.511 3.021 1.00 70.50 O ATOM 111 CB THR A 7 14.281 0.352 5.841 1.00 11.14 C ATOM 112 OG1 THR A 7 13.856 -0.873 5.216 1.00 42.44 O ATOM 113 CG2 THR A 7 14.359 0.183 7.362 1.00 11.04 C ATOM 0 H THR A 7 11.707 0.192 5.393 1.00 54.13 H new ATOM 0 HA THR A 7 13.488 2.363 6.135 1.00 55.13 H new ATOM 0 HB THR A 7 15.283 0.594 5.488 1.00 11.14 H new ATOM 0 HG1 THR A 7 14.455 -1.601 5.483 1.00 42.44 H new ATOM 0 HG21 THR A 7 15.019 -0.651 7.602 1.00 11.04 H new ATOM 0 HG22 THR A 7 14.750 1.096 7.810 1.00 11.04 H new ATOM 0 HG23 THR A 7 13.363 -0.017 7.757 1.00 11.04 H new ATOM 121 N PRO A 8 14.692 2.981 3.868 1.00 42.20 N ATOM 122 CA PRO A 8 15.078 3.573 2.562 1.00 55.13 C ATOM 123 C PRO A 8 15.918 2.605 1.669 1.00 61.10 C ATOM 124 O PRO A 8 17.154 2.650 1.624 1.00 2.24 O ATOM 125 CB PRO A 8 15.858 4.840 3.000 1.00 45.33 C ATOM 126 CG PRO A 8 16.518 4.437 4.272 1.00 32.14 C ATOM 127 CD PRO A 8 15.500 3.569 4.980 1.00 72.24 C ATOM 0 HA PRO A 8 14.226 3.793 1.918 1.00 55.13 H new ATOM 0 HB2 PRO A 8 16.589 5.138 2.248 1.00 45.33 H new ATOM 0 HB3 PRO A 8 15.190 5.688 3.149 1.00 45.33 H new ATOM 0 HG2 PRO A 8 17.441 3.889 4.082 1.00 32.14 H new ATOM 0 HG3 PRO A 8 16.782 5.307 4.873 1.00 32.14 H new ATOM 0 HD2 PRO A 8 15.982 2.794 5.577 1.00 72.24 H new ATOM 0 HD3 PRO A 8 14.879 4.154 5.659 1.00 72.24 H new ATOM 135 N GLY A 9 15.194 1.719 0.978 1.00 4.43 N ATOM 136 CA GLY A 9 15.768 0.699 0.081 1.00 62.04 C ATOM 137 C GLY A 9 15.251 -0.712 0.388 1.00 63.24 C ATOM 138 O GLY A 9 15.738 -1.696 -0.184 1.00 32.41 O ATOM 0 H GLY A 9 14.176 1.686 1.024 1.00 4.43 H new ATOM 0 HA2 GLY A 9 15.530 0.953 -0.952 1.00 62.04 H new ATOM 0 HA3 GLY A 9 16.854 0.712 0.170 1.00 62.04 H new ATOM 142 N GLY A 10 14.257 -0.804 1.299 1.00 22.31 N ATOM 143 CA GLY A 10 13.755 -2.095 1.796 1.00 41.11 C ATOM 144 C GLY A 10 12.418 -2.537 1.194 1.00 72.32 C ATOM 145 O GLY A 10 11.913 -1.936 0.245 1.00 41.54 O ATOM 0 H GLY A 10 13.788 0.006 1.704 1.00 22.31 H new ATOM 0 HA2 GLY A 10 14.501 -2.863 1.591 1.00 41.11 H new ATOM 0 HA3 GLY A 10 13.648 -2.035 2.879 1.00 41.11 H new ATOM 149 N ASP A 11 11.861 -3.622 1.753 1.00 62.31 N ATOM 150 CA ASP A 11 10.572 -4.200 1.322 1.00 65.34 C ATOM 151 C ASP A 11 9.402 -3.543 2.089 1.00 20.11 C ATOM 152 O ASP A 11 9.264 -3.749 3.304 1.00 4.51 O ATOM 153 CB ASP A 11 10.567 -5.735 1.575 1.00 73.44 C ATOM 154 CG ASP A 11 11.613 -6.509 0.745 1.00 74.21 C ATOM 155 OD1 ASP A 11 12.825 -6.210 0.846 1.00 50.10 O ATOM 156 OD2 ASP A 11 11.232 -7.449 0.019 1.00 44.41 O ATOM 0 H ASP A 11 12.294 -4.130 2.524 1.00 62.31 H new ATOM 0 HA ASP A 11 10.446 -4.009 0.256 1.00 65.34 H new ATOM 0 HB2 ASP A 11 10.749 -5.919 2.634 1.00 73.44 H new ATOM 0 HB3 ASP A 11 9.576 -6.127 1.349 1.00 73.44 H new ATOM 161 N LEU A 12 8.581 -2.743 1.392 1.00 0.35 N ATOM 162 CA LEU A 12 7.311 -2.235 1.948 1.00 43.52 C ATOM 163 C LEU A 12 6.272 -3.376 1.981 1.00 44.44 C ATOM 164 O LEU A 12 6.214 -4.181 1.055 1.00 74.15 O ATOM 165 CB LEU A 12 6.759 -1.057 1.095 1.00 10.12 C ATOM 166 CG LEU A 12 5.382 -0.460 1.553 1.00 52.32 C ATOM 167 CD1 LEU A 12 5.483 0.162 2.965 1.00 30.25 C ATOM 168 CD2 LEU A 12 4.829 0.550 0.518 1.00 15.13 C ATOM 0 H LEU A 12 8.772 -2.431 0.440 1.00 0.35 H new ATOM 0 HA LEU A 12 7.499 -1.871 2.958 1.00 43.52 H new ATOM 0 HB2 LEU A 12 7.498 -0.256 1.097 1.00 10.12 H new ATOM 0 HB3 LEU A 12 6.660 -1.397 0.064 1.00 10.12 H new ATOM 0 HG LEU A 12 4.668 -1.282 1.610 1.00 52.32 H new ATOM 0 HD11 LEU A 12 4.513 0.567 3.254 1.00 30.25 H new ATOM 0 HD12 LEU A 12 5.784 -0.604 3.679 1.00 30.25 H new ATOM 0 HD13 LEU A 12 6.223 0.962 2.958 1.00 30.25 H new ATOM 0 HD21 LEU A 12 3.875 0.943 0.868 1.00 15.13 H new ATOM 0 HD22 LEU A 12 5.537 1.370 0.396 1.00 15.13 H new ATOM 0 HD23 LEU A 12 4.686 0.049 -0.439 1.00 15.13 H new ATOM 180 N GLU A 13 5.492 -3.459 3.069 1.00 65.21 N ATOM 181 CA GLU A 13 4.396 -4.436 3.206 1.00 74.53 C ATOM 182 C GLU A 13 3.226 -3.809 4.000 1.00 63.33 C ATOM 183 O GLU A 13 3.362 -3.522 5.196 1.00 31.20 O ATOM 184 CB GLU A 13 4.897 -5.732 3.908 1.00 50.32 C ATOM 185 CG GLU A 13 3.817 -6.824 4.073 1.00 3.10 C ATOM 186 CD GLU A 13 4.267 -7.987 4.971 1.00 61.31 C ATOM 187 OE1 GLU A 13 4.278 -7.812 6.208 1.00 51.03 O ATOM 188 OE2 GLU A 13 4.594 -9.076 4.457 1.00 14.44 O ATOM 0 H GLU A 13 5.602 -2.851 3.881 1.00 65.21 H new ATOM 0 HA GLU A 13 4.043 -4.705 2.210 1.00 74.53 H new ATOM 0 HB2 GLU A 13 5.728 -6.143 3.335 1.00 50.32 H new ATOM 0 HB3 GLU A 13 5.286 -5.471 4.892 1.00 50.32 H new ATOM 0 HG2 GLU A 13 2.917 -6.376 4.493 1.00 3.10 H new ATOM 0 HG3 GLU A 13 3.550 -7.214 3.091 1.00 3.10 H new ATOM 195 N LEU A 14 2.092 -3.566 3.319 1.00 55.31 N ATOM 196 CA LEU A 14 0.860 -3.067 3.953 1.00 44.32 C ATOM 197 C LEU A 14 -0.098 -4.254 4.200 1.00 64.22 C ATOM 198 O LEU A 14 -0.745 -4.728 3.264 1.00 33.20 O ATOM 199 CB LEU A 14 0.184 -2.005 3.027 1.00 43.24 C ATOM 200 CG LEU A 14 1.108 -0.846 2.526 1.00 73.33 C ATOM 201 CD1 LEU A 14 0.336 0.172 1.663 1.00 1.11 C ATOM 202 CD2 LEU A 14 1.813 -0.141 3.696 1.00 14.13 C ATOM 0 H LEU A 14 2.005 -3.710 2.313 1.00 55.31 H new ATOM 0 HA LEU A 14 1.098 -2.595 4.906 1.00 44.32 H new ATOM 0 HB2 LEU A 14 -0.226 -2.518 2.157 1.00 43.24 H new ATOM 0 HB3 LEU A 14 -0.657 -1.566 3.564 1.00 43.24 H new ATOM 0 HG LEU A 14 1.872 -1.302 1.896 1.00 73.33 H new ATOM 0 HD11 LEU A 14 1.014 0.960 1.336 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -0.082 -0.332 0.792 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -0.471 0.609 2.251 1.00 1.11 H new ATOM 0 HD21 LEU A 14 2.446 0.658 3.311 1.00 14.13 H new ATOM 0 HD22 LEU A 14 1.067 0.280 4.370 1.00 14.13 H new ATOM 0 HD23 LEU A 14 2.426 -0.861 4.238 1.00 14.13 H new ATOM 214 N VAL A 15 -0.162 -4.739 5.455 1.00 31.45 N ATOM 215 CA VAL A 15 -1.122 -5.789 5.871 1.00 54.03 C ATOM 216 C VAL A 15 -2.336 -5.107 6.528 1.00 3.32 C ATOM 217 O VAL A 15 -2.260 -4.605 7.658 1.00 61.14 O ATOM 218 CB VAL A 15 -0.465 -6.839 6.846 1.00 53.32 C ATOM 219 CG1 VAL A 15 -1.488 -7.902 7.326 1.00 1.32 C ATOM 220 CG2 VAL A 15 0.755 -7.512 6.173 1.00 33.12 C ATOM 0 H VAL A 15 0.446 -4.418 6.209 1.00 31.45 H new ATOM 0 HA VAL A 15 -1.440 -6.348 4.991 1.00 54.03 H new ATOM 0 HB VAL A 15 -0.123 -6.300 7.730 1.00 53.32 H new ATOM 0 HG11 VAL A 15 -0.994 -8.606 7.996 1.00 1.32 H new ATOM 0 HG12 VAL A 15 -2.304 -7.409 7.855 1.00 1.32 H new ATOM 0 HG13 VAL A 15 -1.886 -8.439 6.465 1.00 1.32 H new ATOM 0 HG21 VAL A 15 1.197 -8.234 6.860 1.00 33.12 H new ATOM 0 HG22 VAL A 15 0.434 -8.024 5.266 1.00 33.12 H new ATOM 0 HG23 VAL A 15 1.495 -6.753 5.919 1.00 33.12 H new ATOM 230 N VAL A 16 -3.446 -5.092 5.791 1.00 45.12 N ATOM 231 CA VAL A 16 -4.622 -4.253 6.089 1.00 55.14 C ATOM 232 C VAL A 16 -5.710 -5.055 6.815 1.00 62.04 C ATOM 233 O VAL A 16 -5.913 -6.221 6.507 1.00 24.41 O ATOM 234 CB VAL A 16 -5.222 -3.691 4.744 1.00 64.32 C ATOM 235 CG1 VAL A 16 -6.306 -2.627 4.998 1.00 25.11 C ATOM 236 CG2 VAL A 16 -4.114 -3.147 3.823 1.00 11.42 C ATOM 0 H VAL A 16 -3.562 -5.668 4.957 1.00 45.12 H new ATOM 0 HA VAL A 16 -4.297 -3.437 6.735 1.00 55.14 H new ATOM 0 HB VAL A 16 -5.703 -4.526 4.234 1.00 64.32 H new ATOM 0 HG11 VAL A 16 -6.692 -2.267 4.045 1.00 25.11 H new ATOM 0 HG12 VAL A 16 -7.119 -3.066 5.576 1.00 25.11 H new ATOM 0 HG13 VAL A 16 -5.875 -1.794 5.553 1.00 25.11 H new ATOM 0 HG21 VAL A 16 -4.559 -2.767 2.904 1.00 11.42 H new ATOM 0 HG22 VAL A 16 -3.583 -2.341 4.330 1.00 11.42 H new ATOM 0 HG23 VAL A 16 -3.415 -3.948 3.583 1.00 11.42 H new ATOM 246 N HIS A 17 -6.388 -4.427 7.795 1.00 23.30 N ATOM 247 CA HIS A 17 -7.596 -4.992 8.442 1.00 73.30 C ATOM 248 C HIS A 17 -8.662 -3.881 8.631 1.00 73.21 C ATOM 249 O HIS A 17 -9.219 -3.704 9.721 1.00 34.34 O ATOM 250 CB HIS A 17 -7.225 -5.677 9.785 1.00 1.31 C ATOM 251 CG HIS A 17 -6.306 -6.867 9.631 1.00 13.42 C ATOM 252 ND1 HIS A 17 -4.981 -6.862 10.019 1.00 34.21 N ATOM 253 CD2 HIS A 17 -6.529 -8.098 9.108 1.00 51.13 C ATOM 254 CE1 HIS A 17 -4.434 -8.023 9.735 1.00 5.33 C ATOM 255 NE2 HIS A 17 -5.350 -8.791 9.188 1.00 1.30 N ATOM 0 H HIS A 17 -6.117 -3.515 8.163 1.00 23.30 H new ATOM 0 HA HIS A 17 -8.025 -5.760 7.798 1.00 73.30 H new ATOM 0 HB2 HIS A 17 -6.749 -4.944 10.436 1.00 1.31 H new ATOM 0 HB3 HIS A 17 -8.140 -5.999 10.283 1.00 1.31 H new ATOM 0 HD2 HIS A 17 -7.461 -8.464 8.704 1.00 51.13 H new ATOM 0 HE1 HIS A 17 -3.406 -8.299 9.920 1.00 5.33 H new ATOM 0 HE2 HIS A 17 -5.206 -9.750 8.873 1.00 1.30 H new ATOM 264 N LEU A 18 -8.917 -3.126 7.537 1.00 73.02 N ATOM 265 CA LEU A 18 -10.017 -2.121 7.454 1.00 61.35 C ATOM 266 C LEU A 18 -11.439 -2.707 7.736 1.00 41.12 C ATOM 267 O LEU A 18 -11.627 -3.921 7.866 1.00 14.33 O ATOM 268 CB LEU A 18 -9.964 -1.375 6.075 1.00 52.45 C ATOM 269 CG LEU A 18 -9.778 -2.226 4.756 1.00 71.03 C ATOM 270 CD1 LEU A 18 -10.896 -3.247 4.487 1.00 15.21 C ATOM 271 CD2 LEU A 18 -9.577 -1.300 3.533 1.00 74.51 C ATOM 0 H LEU A 18 -8.367 -3.193 6.681 1.00 73.02 H new ATOM 0 HA LEU A 18 -9.844 -1.405 8.258 1.00 61.35 H new ATOM 0 HB2 LEU A 18 -10.887 -0.805 5.972 1.00 52.45 H new ATOM 0 HB3 LEU A 18 -9.148 -0.654 6.121 1.00 52.45 H new ATOM 0 HG LEU A 18 -8.879 -2.821 4.921 1.00 71.03 H new ATOM 0 HD11 LEU A 18 -10.684 -3.784 3.562 1.00 15.21 H new ATOM 0 HD12 LEU A 18 -10.948 -3.955 5.314 1.00 15.21 H new ATOM 0 HD13 LEU A 18 -11.849 -2.727 4.394 1.00 15.21 H new ATOM 0 HD21 LEU A 18 -9.451 -1.905 2.635 1.00 74.51 H new ATOM 0 HD22 LEU A 18 -10.449 -0.656 3.417 1.00 74.51 H new ATOM 0 HD23 LEU A 18 -8.690 -0.685 3.684 1.00 74.51 H new ATOM 283 N SER A 19 -12.446 -1.812 7.774 1.00 2.23 N ATOM 284 CA SER A 19 -13.845 -2.162 8.147 1.00 20.35 C ATOM 285 C SER A 19 -14.711 -2.543 6.911 1.00 64.11 C ATOM 286 O SER A 19 -15.949 -2.496 6.974 1.00 10.54 O ATOM 287 CB SER A 19 -14.472 -0.966 8.900 1.00 3.41 C ATOM 288 OG SER A 19 -13.701 -0.614 10.041 1.00 54.23 O ATOM 0 H SER A 19 -12.320 -0.825 7.548 1.00 2.23 H new ATOM 0 HA SER A 19 -13.819 -3.042 8.789 1.00 20.35 H new ATOM 0 HB2 SER A 19 -14.546 -0.110 8.230 1.00 3.41 H new ATOM 0 HB3 SER A 19 -15.487 -1.218 9.208 1.00 3.41 H new ATOM 0 HG SER A 19 -14.120 0.146 10.497 1.00 54.23 H new ATOM 294 N GLY A 20 -14.050 -2.923 5.799 1.00 72.03 N ATOM 295 CA GLY A 20 -14.733 -3.380 4.582 1.00 34.14 C ATOM 296 C GLY A 20 -15.493 -4.707 4.783 1.00 22.03 C ATOM 297 O GLY A 20 -14.857 -5.717 5.109 1.00 43.44 O ATOM 0 H GLY A 20 -13.033 -2.920 5.724 1.00 72.03 H new ATOM 0 HA2 GLY A 20 -15.434 -2.612 4.254 1.00 34.14 H new ATOM 0 HA3 GLY A 20 -14.000 -3.504 3.785 1.00 34.14 H new ATOM 301 N PRO A 21 -16.850 -4.757 4.551 1.00 65.34 N ATOM 302 CA PRO A 21 -17.709 -5.929 4.919 1.00 50.54 C ATOM 303 C PRO A 21 -17.616 -7.147 3.946 1.00 73.35 C ATOM 304 O PRO A 21 -18.527 -7.987 3.914 1.00 21.24 O ATOM 305 CB PRO A 21 -19.130 -5.293 4.914 1.00 43.33 C ATOM 306 CG PRO A 21 -19.062 -4.239 3.850 1.00 25.24 C ATOM 307 CD PRO A 21 -17.652 -3.677 3.908 1.00 44.33 C ATOM 0 HA PRO A 21 -17.405 -6.375 5.866 1.00 50.54 H new ATOM 0 HB2 PRO A 21 -19.897 -6.035 4.690 1.00 43.33 H new ATOM 0 HB3 PRO A 21 -19.376 -4.863 5.885 1.00 43.33 H new ATOM 0 HG2 PRO A 21 -19.274 -4.662 2.868 1.00 25.24 H new ATOM 0 HG3 PRO A 21 -19.801 -3.458 4.027 1.00 25.24 H new ATOM 0 HD2 PRO A 21 -17.276 -3.442 2.912 1.00 44.33 H new ATOM 0 HD3 PRO A 21 -17.615 -2.755 4.488 1.00 44.33 H new ATOM 315 N GLY A 22 -16.510 -7.249 3.178 1.00 40.34 N ATOM 316 CA GLY A 22 -16.294 -8.387 2.272 1.00 44.04 C ATOM 317 C GLY A 22 -15.115 -8.181 1.317 1.00 32.41 C ATOM 318 O GLY A 22 -13.949 -8.260 1.729 1.00 21.11 O ATOM 0 H GLY A 22 -15.759 -6.559 3.170 1.00 40.34 H new ATOM 0 HA2 GLY A 22 -16.122 -9.286 2.863 1.00 44.04 H new ATOM 0 HA3 GLY A 22 -17.200 -8.557 1.690 1.00 44.04 H new ATOM 322 N GLY A 23 -15.426 -7.902 0.038 1.00 21.24 N ATOM 323 CA GLY A 23 -14.403 -7.732 -1.006 1.00 4.15 C ATOM 324 C GLY A 23 -14.980 -7.786 -2.431 1.00 63.44 C ATOM 325 O GLY A 23 -16.203 -7.870 -2.588 1.00 13.24 O ATOM 0 H GLY A 23 -16.383 -7.789 -0.297 1.00 21.24 H new ATOM 0 HA2 GLY A 23 -13.899 -6.776 -0.860 1.00 4.15 H new ATOM 0 HA3 GLY A 23 -13.648 -8.510 -0.896 1.00 4.15 H new ATOM 329 N PRO A 24 -14.135 -7.706 -3.514 1.00 62.35 N ATOM 330 CA PRO A 24 -12.668 -7.467 -3.418 1.00 4.25 C ATOM 331 C PRO A 24 -12.315 -5.967 -3.206 1.00 11.34 C ATOM 332 O PRO A 24 -13.137 -5.072 -3.446 1.00 53.24 O ATOM 333 CB PRO A 24 -12.152 -7.985 -4.781 1.00 51.13 C ATOM 334 CG PRO A 24 -13.276 -7.702 -5.736 1.00 45.32 C ATOM 335 CD PRO A 24 -14.563 -7.866 -4.936 1.00 3.43 C ATOM 0 HA PRO A 24 -12.218 -7.965 -2.559 1.00 4.25 H new ATOM 0 HB2 PRO A 24 -11.237 -7.473 -5.080 1.00 51.13 H new ATOM 0 HB3 PRO A 24 -11.923 -9.050 -4.741 1.00 51.13 H new ATOM 0 HG2 PRO A 24 -13.196 -6.694 -6.144 1.00 45.32 H new ATOM 0 HG3 PRO A 24 -13.252 -8.390 -6.581 1.00 45.32 H new ATOM 0 HD2 PRO A 24 -15.304 -7.117 -5.215 1.00 3.43 H new ATOM 0 HD3 PRO A 24 -15.017 -8.842 -5.108 1.00 3.43 H new ATOM 343 N VAL A 25 -11.086 -5.725 -2.739 1.00 34.40 N ATOM 344 CA VAL A 25 -10.577 -4.376 -2.417 1.00 4.41 C ATOM 345 C VAL A 25 -9.545 -3.921 -3.484 1.00 73.43 C ATOM 346 O VAL A 25 -8.808 -4.742 -4.040 1.00 22.53 O ATOM 347 CB VAL A 25 -9.924 -4.383 -0.985 1.00 54.42 C ATOM 348 CG1 VAL A 25 -9.366 -3.001 -0.574 1.00 14.22 C ATOM 349 CG2 VAL A 25 -10.924 -4.923 0.076 1.00 54.44 C ATOM 0 H VAL A 25 -10.404 -6.465 -2.570 1.00 34.40 H new ATOM 0 HA VAL A 25 -11.408 -3.670 -2.422 1.00 4.41 H new ATOM 0 HB VAL A 25 -9.070 -5.058 -1.032 1.00 54.42 H new ATOM 0 HG11 VAL A 25 -8.928 -3.067 0.422 1.00 14.22 H new ATOM 0 HG12 VAL A 25 -8.602 -2.691 -1.287 1.00 14.22 H new ATOM 0 HG13 VAL A 25 -10.174 -2.270 -0.567 1.00 14.22 H new ATOM 0 HG21 VAL A 25 -10.450 -4.919 1.058 1.00 54.44 H new ATOM 0 HG22 VAL A 25 -11.810 -4.288 0.097 1.00 54.44 H new ATOM 0 HG23 VAL A 25 -11.214 -5.942 -0.182 1.00 54.44 H new ATOM 359 N ARG A 26 -9.502 -2.606 -3.753 1.00 3.32 N ATOM 360 CA ARG A 26 -8.588 -2.000 -4.747 1.00 14.13 C ATOM 361 C ARG A 26 -7.331 -1.420 -4.065 1.00 33.34 C ATOM 362 O ARG A 26 -7.295 -1.231 -2.845 1.00 73.21 O ATOM 363 CB ARG A 26 -9.316 -0.868 -5.510 1.00 12.12 C ATOM 364 CG ARG A 26 -10.552 -1.310 -6.327 1.00 45.23 C ATOM 365 CD ARG A 26 -11.192 -0.127 -7.063 1.00 13.13 C ATOM 366 NE ARG A 26 -12.318 -0.525 -7.920 1.00 32.32 N ATOM 367 CZ ARG A 26 -12.838 0.221 -8.868 1.00 42.33 C ATOM 368 NH1 ARG A 26 -12.317 1.368 -9.178 1.00 1.52 N ATOM 369 NH2 ARG A 26 -13.855 -0.211 -9.532 1.00 25.43 N ATOM 0 H ARG A 26 -10.102 -1.926 -3.287 1.00 3.32 H new ATOM 0 HA ARG A 26 -8.282 -2.782 -5.442 1.00 14.13 H new ATOM 0 HB2 ARG A 26 -9.628 -0.110 -4.791 1.00 12.12 H new ATOM 0 HB3 ARG A 26 -8.605 -0.393 -6.186 1.00 12.12 H new ATOM 0 HG2 ARG A 26 -10.259 -2.073 -7.048 1.00 45.23 H new ATOM 0 HG3 ARG A 26 -11.285 -1.766 -5.662 1.00 45.23 H new ATOM 0 HD2 ARG A 26 -11.539 0.604 -6.332 1.00 13.13 H new ATOM 0 HD3 ARG A 26 -10.435 0.367 -7.673 1.00 13.13 H new ATOM 0 HE ARG A 26 -12.725 -1.448 -7.767 1.00 32.32 H new ATOM 0 HH11 ARG A 26 -11.491 1.703 -8.683 1.00 1.52 H new ATOM 0 HH12 ARG A 26 -12.734 1.934 -9.917 1.00 1.52 H new ATOM 0 HH21 ARG A 26 -14.251 -1.127 -9.320 1.00 25.43 H new ATOM 0 HH22 ARG A 26 -14.264 0.363 -10.269 1.00 25.43 H new ATOM 383 N TRP A 27 -6.306 -1.138 -4.881 1.00 44.24 N ATOM 384 CA TRP A 27 -5.046 -0.517 -4.430 1.00 62.53 C ATOM 385 C TRP A 27 -4.636 0.633 -5.355 1.00 62.43 C ATOM 386 O TRP A 27 -4.474 0.434 -6.557 1.00 51.14 O ATOM 387 CB TRP A 27 -3.911 -1.574 -4.357 1.00 64.34 C ATOM 388 CG TRP A 27 -3.951 -2.401 -3.099 1.00 5.14 C ATOM 389 CD1 TRP A 27 -4.386 -3.689 -2.942 1.00 75.35 C ATOM 390 CD2 TRP A 27 -3.552 -1.947 -1.807 1.00 5.24 C ATOM 391 NE1 TRP A 27 -4.245 -4.070 -1.631 1.00 53.15 N ATOM 392 CE2 TRP A 27 -3.743 -3.011 -0.914 1.00 62.34 C ATOM 393 CE3 TRP A 27 -3.039 -0.734 -1.327 1.00 32.52 C ATOM 394 CZ2 TRP A 27 -3.432 -2.903 0.431 1.00 12.52 C ATOM 395 CZ3 TRP A 27 -2.735 -0.625 0.011 1.00 32.23 C ATOM 396 CH2 TRP A 27 -2.937 -1.700 0.879 1.00 3.24 C ATOM 0 H TRP A 27 -6.325 -1.335 -5.882 1.00 44.24 H new ATOM 0 HA TRP A 27 -5.213 -0.111 -3.432 1.00 62.53 H new ATOM 0 HB2 TRP A 27 -3.982 -2.235 -5.221 1.00 64.34 H new ATOM 0 HB3 TRP A 27 -2.948 -1.068 -4.421 1.00 64.34 H new ATOM 0 HD1 TRP A 27 -4.781 -4.312 -3.731 1.00 75.35 H new ATOM 0 HE1 TRP A 27 -4.475 -4.988 -1.251 1.00 53.15 H new ATOM 0 HE3 TRP A 27 -2.885 0.100 -1.995 1.00 32.52 H new ATOM 0 HZ2 TRP A 27 -3.573 -3.735 1.105 1.00 12.52 H new ATOM 0 HZ3 TRP A 27 -2.336 0.303 0.394 1.00 32.23 H new ATOM 0 HH2 TRP A 27 -2.699 -1.584 1.926 1.00 3.24 H new ATOM 407 N TYR A 28 -4.469 1.830 -4.773 1.00 24.34 N ATOM 408 CA TYR A 28 -3.987 3.035 -5.487 1.00 42.41 C ATOM 409 C TYR A 28 -2.686 3.563 -4.857 1.00 54.10 C ATOM 410 O TYR A 28 -2.332 3.187 -3.742 1.00 20.33 O ATOM 411 CB TYR A 28 -5.066 4.147 -5.471 1.00 44.53 C ATOM 412 CG TYR A 28 -6.383 3.771 -6.178 1.00 0.25 C ATOM 413 CD1 TYR A 28 -7.426 3.142 -5.488 1.00 74.52 C ATOM 414 CD2 TYR A 28 -6.582 4.053 -7.533 1.00 24.20 C ATOM 415 CE1 TYR A 28 -8.604 2.813 -6.119 1.00 22.14 C ATOM 416 CE2 TYR A 28 -7.765 3.727 -8.166 1.00 32.22 C ATOM 417 CZ TYR A 28 -8.770 3.108 -7.460 1.00 21.42 C ATOM 418 OH TYR A 28 -9.952 2.790 -8.092 1.00 33.25 O ATOM 0 H TYR A 28 -4.665 1.996 -3.786 1.00 24.34 H new ATOM 0 HA TYR A 28 -3.785 2.752 -6.520 1.00 42.41 H new ATOM 0 HB2 TYR A 28 -5.286 4.407 -4.436 1.00 44.53 H new ATOM 0 HB3 TYR A 28 -4.657 5.040 -5.944 1.00 44.53 H new ATOM 0 HD1 TYR A 28 -7.304 2.910 -4.440 1.00 74.52 H new ATOM 0 HD2 TYR A 28 -5.796 4.535 -8.095 1.00 24.20 H new ATOM 0 HE1 TYR A 28 -9.396 2.326 -5.569 1.00 22.14 H new ATOM 0 HE2 TYR A 28 -7.901 3.957 -9.212 1.00 32.22 H new ATOM 0 HH TYR A 28 -9.905 3.065 -9.031 1.00 33.25 H new ATOM 428 N LYS A 29 -1.986 4.425 -5.598 1.00 21.02 N ATOM 429 CA LYS A 29 -0.785 5.143 -5.117 1.00 45.15 C ATOM 430 C LYS A 29 -0.638 6.487 -5.870 1.00 0.34 C ATOM 431 O LYS A 29 -0.540 6.501 -7.102 1.00 52.13 O ATOM 432 CB LYS A 29 0.492 4.262 -5.267 1.00 53.20 C ATOM 433 CG LYS A 29 1.847 5.003 -5.101 1.00 55.14 C ATOM 434 CD LYS A 29 1.979 5.759 -3.756 1.00 24.35 C ATOM 435 CE LYS A 29 3.321 6.494 -3.622 1.00 24.25 C ATOM 436 NZ LYS A 29 4.487 5.578 -3.759 1.00 12.11 N ATOM 0 H LYS A 29 -2.233 4.652 -6.561 1.00 21.02 H new ATOM 0 HA LYS A 29 -0.905 5.356 -4.055 1.00 45.15 H new ATOM 0 HB2 LYS A 29 0.446 3.460 -4.531 1.00 53.20 H new ATOM 0 HB3 LYS A 29 0.474 3.793 -6.251 1.00 53.20 H new ATOM 0 HG2 LYS A 29 2.659 4.281 -5.184 1.00 55.14 H new ATOM 0 HG3 LYS A 29 1.967 5.712 -5.920 1.00 55.14 H new ATOM 0 HD2 LYS A 29 1.165 6.478 -3.666 1.00 24.35 H new ATOM 0 HD3 LYS A 29 1.872 5.052 -2.934 1.00 24.35 H new ATOM 0 HE2 LYS A 29 3.383 7.273 -4.382 1.00 24.25 H new ATOM 0 HE3 LYS A 29 3.365 6.991 -2.653 1.00 24.25 H new ATOM 0 HZ1 LYS A 29 5.368 6.128 -3.712 1.00 12.11 H new ATOM 0 HZ2 LYS A 29 4.473 4.880 -2.988 1.00 12.11 H new ATOM 0 HZ3 LYS A 29 4.435 5.085 -4.673 1.00 12.11 H new ATOM 450 N ASP A 30 -0.659 7.606 -5.099 1.00 61.53 N ATOM 451 CA ASP A 30 -0.431 8.982 -5.606 1.00 32.15 C ATOM 452 C ASP A 30 -1.524 9.413 -6.645 1.00 72.45 C ATOM 453 O ASP A 30 -1.341 10.356 -7.415 1.00 15.24 O ATOM 454 CB ASP A 30 1.030 9.085 -6.166 1.00 60.04 C ATOM 455 CG ASP A 30 1.512 10.529 -6.434 1.00 22.40 C ATOM 456 OD1 ASP A 30 1.945 11.208 -5.480 1.00 54.41 O ATOM 457 OD2 ASP A 30 1.489 10.981 -7.603 1.00 21.20 O ATOM 0 H ASP A 30 -0.837 7.575 -4.095 1.00 61.53 H new ATOM 0 HA ASP A 30 -0.529 9.692 -4.785 1.00 32.15 H new ATOM 0 HB2 ASP A 30 1.711 8.613 -5.458 1.00 60.04 H new ATOM 0 HB3 ASP A 30 1.091 8.517 -7.094 1.00 60.04 H new ATOM 462 N GLY A 31 -2.693 8.739 -6.612 1.00 64.32 N ATOM 463 CA GLY A 31 -3.794 9.003 -7.559 1.00 70.40 C ATOM 464 C GLY A 31 -3.902 7.996 -8.715 1.00 75.33 C ATOM 465 O GLY A 31 -4.812 8.106 -9.538 1.00 34.21 O ATOM 0 H GLY A 31 -2.898 8.004 -5.935 1.00 64.32 H new ATOM 0 HA2 GLY A 31 -4.735 9.006 -7.009 1.00 70.40 H new ATOM 0 HA3 GLY A 31 -3.665 10.002 -7.976 1.00 70.40 H new ATOM 469 N GLU A 32 -2.976 7.021 -8.789 1.00 64.43 N ATOM 470 CA GLU A 32 -2.983 5.968 -9.838 1.00 33.03 C ATOM 471 C GLU A 32 -2.875 4.565 -9.212 1.00 4.44 C ATOM 472 O GLU A 32 -1.962 4.306 -8.425 1.00 54.00 O ATOM 473 CB GLU A 32 -1.807 6.183 -10.832 1.00 33.55 C ATOM 474 CG GLU A 32 -1.753 5.148 -11.983 1.00 31.53 C ATOM 475 CD GLU A 32 -0.464 5.227 -12.810 1.00 61.20 C ATOM 476 OE1 GLU A 32 -0.393 6.053 -13.745 1.00 75.34 O ATOM 477 OE2 GLU A 32 0.487 4.467 -12.520 1.00 62.25 O ATOM 0 H GLU A 32 -2.203 6.936 -8.129 1.00 64.43 H new ATOM 0 HA GLU A 32 -3.928 6.041 -10.376 1.00 33.03 H new ATOM 0 HB2 GLU A 32 -1.886 7.182 -11.260 1.00 33.55 H new ATOM 0 HB3 GLU A 32 -0.868 6.146 -10.280 1.00 33.55 H new ATOM 0 HG2 GLU A 32 -1.848 4.146 -11.566 1.00 31.53 H new ATOM 0 HG3 GLU A 32 -2.608 5.302 -12.641 1.00 31.53 H new ATOM 484 N ARG A 33 -3.791 3.661 -9.600 1.00 25.32 N ATOM 485 CA ARG A 33 -3.814 2.256 -9.118 1.00 42.14 C ATOM 486 C ARG A 33 -2.511 1.478 -9.450 1.00 14.21 C ATOM 487 O ARG A 33 -1.836 1.765 -10.446 1.00 25.53 O ATOM 488 CB ARG A 33 -5.051 1.482 -9.684 1.00 21.13 C ATOM 489 CG ARG A 33 -4.973 1.082 -11.181 1.00 14.43 C ATOM 490 CD ARG A 33 -5.105 2.274 -12.143 1.00 64.20 C ATOM 491 NE ARG A 33 -5.009 1.863 -13.552 1.00 74.32 N ATOM 492 CZ ARG A 33 -5.986 1.904 -14.431 1.00 74.21 C ATOM 493 NH1 ARG A 33 -7.187 2.286 -14.097 1.00 74.33 N ATOM 494 NH2 ARG A 33 -5.753 1.549 -15.649 1.00 31.44 N ATOM 0 H ARG A 33 -4.540 3.878 -10.257 1.00 25.32 H new ATOM 0 HA ARG A 33 -3.891 2.316 -8.032 1.00 42.14 H new ATOM 0 HB2 ARG A 33 -5.190 0.577 -9.093 1.00 21.13 H new ATOM 0 HB3 ARG A 33 -5.938 2.098 -9.538 1.00 21.13 H new ATOM 0 HG2 ARG A 33 -4.023 0.580 -11.366 1.00 14.43 H new ATOM 0 HG3 ARG A 33 -5.762 0.362 -11.398 1.00 14.43 H new ATOM 0 HD2 ARG A 33 -6.061 2.770 -11.975 1.00 64.20 H new ATOM 0 HD3 ARG A 33 -4.325 3.003 -11.925 1.00 64.20 H new ATOM 0 HE ARG A 33 -4.106 1.516 -13.875 1.00 74.32 H new ATOM 0 HH11 ARG A 33 -7.385 2.562 -13.135 1.00 74.33 H new ATOM 0 HH12 ARG A 33 -7.928 2.309 -14.797 1.00 74.33 H new ATOM 0 HH21 ARG A 33 -4.819 1.241 -15.921 1.00 31.44 H new ATOM 0 HH22 ARG A 33 -6.502 1.576 -16.340 1.00 31.44 H new ATOM 508 N LEU A 34 -2.178 0.491 -8.598 1.00 43.24 N ATOM 509 CA LEU A 34 -1.044 -0.438 -8.831 1.00 33.15 C ATOM 510 C LEU A 34 -1.539 -1.741 -9.502 1.00 13.03 C ATOM 511 O LEU A 34 -2.712 -2.112 -9.365 1.00 4.15 O ATOM 512 CB LEU A 34 -0.314 -0.772 -7.495 1.00 23.05 C ATOM 513 CG LEU A 34 0.244 0.449 -6.689 1.00 0.10 C ATOM 514 CD1 LEU A 34 1.055 -0.010 -5.464 1.00 40.51 C ATOM 515 CD2 LEU A 34 1.086 1.383 -7.596 1.00 55.24 C ATOM 0 H LEU A 34 -2.682 0.311 -7.730 1.00 43.24 H new ATOM 0 HA LEU A 34 -0.337 0.057 -9.497 1.00 33.15 H new ATOM 0 HB2 LEU A 34 -1.006 -1.319 -6.854 1.00 23.05 H new ATOM 0 HB3 LEU A 34 0.515 -1.444 -7.716 1.00 23.05 H new ATOM 0 HG LEU A 34 -0.611 1.019 -6.325 1.00 0.10 H new ATOM 0 HD11 LEU A 34 1.428 0.862 -4.927 1.00 40.51 H new ATOM 0 HD12 LEU A 34 0.416 -0.597 -4.804 1.00 40.51 H new ATOM 0 HD13 LEU A 34 1.896 -0.621 -5.792 1.00 40.51 H new ATOM 0 HD21 LEU A 34 1.460 2.221 -7.008 1.00 55.24 H new ATOM 0 HD22 LEU A 34 1.927 0.827 -8.010 1.00 55.24 H new ATOM 0 HD23 LEU A 34 0.464 1.759 -8.409 1.00 55.24 H new ATOM 527 N ALA A 35 -0.639 -2.418 -10.235 1.00 43.53 N ATOM 528 CA ALA A 35 -0.922 -3.726 -10.875 1.00 14.34 C ATOM 529 C ALA A 35 -0.234 -4.868 -10.095 1.00 11.15 C ATOM 530 O ALA A 35 0.845 -4.676 -9.521 1.00 62.40 O ATOM 531 CB ALA A 35 -0.466 -3.715 -12.349 1.00 21.23 C ATOM 0 H ALA A 35 0.308 -2.078 -10.404 1.00 43.53 H new ATOM 0 HA ALA A 35 -1.998 -3.899 -10.853 1.00 14.34 H new ATOM 0 HB1 ALA A 35 -0.681 -4.682 -12.804 1.00 21.23 H new ATOM 0 HB2 ALA A 35 -1.000 -2.933 -12.889 1.00 21.23 H new ATOM 0 HB3 ALA A 35 0.606 -3.522 -12.397 1.00 21.23 H new ATOM 537 N SER A 36 -0.876 -6.049 -10.070 1.00 25.12 N ATOM 538 CA SER A 36 -0.339 -7.253 -9.388 1.00 51.22 C ATOM 539 C SER A 36 0.820 -7.876 -10.200 1.00 43.53 C ATOM 540 O SER A 36 0.613 -8.771 -11.025 1.00 64.50 O ATOM 541 CB SER A 36 -1.476 -8.280 -9.148 1.00 72.33 C ATOM 542 OG SER A 36 -2.166 -8.596 -10.353 1.00 75.15 O ATOM 0 H SER A 36 -1.779 -6.202 -10.519 1.00 25.12 H new ATOM 0 HA SER A 36 0.064 -6.957 -8.420 1.00 51.22 H new ATOM 0 HB2 SER A 36 -1.059 -9.191 -8.719 1.00 72.33 H new ATOM 0 HB3 SER A 36 -2.181 -7.878 -8.420 1.00 72.33 H new ATOM 0 HG SER A 36 -1.519 -8.858 -11.041 1.00 75.15 H new ATOM 548 N GLN A 37 2.036 -7.348 -9.984 1.00 11.04 N ATOM 549 CA GLN A 37 3.265 -7.767 -10.710 1.00 12.51 C ATOM 550 C GLN A 37 4.363 -8.285 -9.746 1.00 40.14 C ATOM 551 O GLN A 37 4.142 -8.421 -8.534 1.00 61.31 O ATOM 552 CB GLN A 37 3.802 -6.559 -11.547 1.00 33.24 C ATOM 553 CG GLN A 37 2.861 -6.094 -12.686 1.00 50.43 C ATOM 554 CD GLN A 37 2.638 -7.162 -13.766 1.00 2.54 C ATOM 555 OE1 GLN A 37 3.507 -7.978 -14.053 1.00 70.03 O ATOM 556 NE2 GLN A 37 1.469 -7.172 -14.368 1.00 71.13 N ATOM 0 H GLN A 37 2.204 -6.613 -9.297 1.00 11.04 H new ATOM 0 HA GLN A 37 3.006 -8.594 -11.371 1.00 12.51 H new ATOM 0 HB2 GLN A 37 3.980 -5.719 -10.875 1.00 33.24 H new ATOM 0 HB3 GLN A 37 4.765 -6.832 -11.978 1.00 33.24 H new ATOM 0 HG2 GLN A 37 1.898 -5.812 -12.260 1.00 50.43 H new ATOM 0 HG3 GLN A 37 3.278 -5.200 -13.150 1.00 50.43 H new ATOM 0 HE21 GLN A 37 0.759 -6.485 -14.115 1.00 71.13 H new ATOM 0 HE22 GLN A 37 1.272 -7.867 -15.088 1.00 71.13 H new ATOM 565 N GLY A 38 5.542 -8.605 -10.320 1.00 32.21 N ATOM 566 CA GLY A 38 6.770 -8.795 -9.534 1.00 13.44 C ATOM 567 C GLY A 38 7.278 -7.459 -8.982 1.00 34.44 C ATOM 568 O GLY A 38 7.091 -6.421 -9.636 1.00 34.22 O ATOM 0 H GLY A 38 5.665 -8.736 -11.324 1.00 32.21 H new ATOM 0 HA2 GLY A 38 6.577 -9.483 -8.711 1.00 13.44 H new ATOM 0 HA3 GLY A 38 7.539 -9.251 -10.158 1.00 13.44 H new ATOM 572 N ARG A 39 7.901 -7.502 -7.785 1.00 14.54 N ATOM 573 CA ARG A 39 8.333 -6.310 -6.995 1.00 3.51 C ATOM 574 C ARG A 39 7.127 -5.597 -6.316 1.00 42.25 C ATOM 575 O ARG A 39 7.140 -5.386 -5.099 1.00 30.10 O ATOM 576 CB ARG A 39 9.171 -5.311 -7.846 1.00 54.24 C ATOM 577 CG ARG A 39 9.728 -4.086 -7.090 1.00 74.04 C ATOM 578 CD ARG A 39 10.633 -3.211 -7.980 1.00 43.52 C ATOM 579 NE ARG A 39 11.721 -4.000 -8.592 1.00 51.41 N ATOM 580 CZ ARG A 39 12.703 -3.528 -9.316 1.00 2.41 C ATOM 581 NH1 ARG A 39 12.886 -2.262 -9.484 1.00 60.33 N ATOM 582 NH2 ARG A 39 13.530 -4.349 -9.848 1.00 32.14 N ATOM 0 H ARG A 39 8.127 -8.383 -7.323 1.00 14.54 H new ATOM 0 HA ARG A 39 8.983 -6.683 -6.204 1.00 3.51 H new ATOM 0 HB2 ARG A 39 10.007 -5.852 -8.288 1.00 54.24 H new ATOM 0 HB3 ARG A 39 8.551 -4.955 -8.669 1.00 54.24 H new ATOM 0 HG2 ARG A 39 8.899 -3.485 -6.716 1.00 74.04 H new ATOM 0 HG3 ARG A 39 10.294 -4.424 -6.222 1.00 74.04 H new ATOM 0 HD2 ARG A 39 10.034 -2.747 -8.764 1.00 43.52 H new ATOM 0 HD3 ARG A 39 11.059 -2.404 -7.384 1.00 43.52 H new ATOM 0 HE ARG A 39 11.705 -5.008 -8.435 1.00 51.41 H new ATOM 0 HH11 ARG A 39 12.254 -1.593 -9.045 1.00 60.33 H new ATOM 0 HH12 ARG A 39 13.663 -1.930 -10.056 1.00 60.33 H new ATOM 0 HH21 ARG A 39 13.417 -5.352 -9.704 1.00 32.14 H new ATOM 0 HH22 ARG A 39 14.302 -3.999 -10.416 1.00 32.14 H new ATOM 596 N VAL A 40 6.111 -5.209 -7.119 1.00 20.22 N ATOM 597 CA VAL A 40 4.838 -4.621 -6.628 1.00 3.15 C ATOM 598 C VAL A 40 3.722 -5.706 -6.602 1.00 11.34 C ATOM 599 O VAL A 40 3.019 -5.929 -7.590 1.00 3.24 O ATOM 600 CB VAL A 40 4.398 -3.395 -7.519 1.00 41.42 C ATOM 601 CG1 VAL A 40 3.080 -2.768 -6.998 1.00 51.23 C ATOM 602 CG2 VAL A 40 5.534 -2.338 -7.602 1.00 40.32 C ATOM 0 H VAL A 40 6.149 -5.295 -8.135 1.00 20.22 H new ATOM 0 HA VAL A 40 4.998 -4.256 -5.613 1.00 3.15 H new ATOM 0 HB VAL A 40 4.208 -3.762 -8.528 1.00 41.42 H new ATOM 0 HG11 VAL A 40 2.802 -1.926 -7.632 1.00 51.23 H new ATOM 0 HG12 VAL A 40 2.287 -3.516 -7.020 1.00 51.23 H new ATOM 0 HG13 VAL A 40 3.222 -2.421 -5.975 1.00 51.23 H new ATOM 0 HG21 VAL A 40 5.209 -1.502 -8.221 1.00 40.32 H new ATOM 0 HG22 VAL A 40 5.770 -1.978 -6.601 1.00 40.32 H new ATOM 0 HG23 VAL A 40 6.422 -2.792 -8.043 1.00 40.32 H new ATOM 612 N GLN A 41 3.609 -6.403 -5.466 1.00 44.33 N ATOM 613 CA GLN A 41 2.675 -7.538 -5.279 1.00 52.15 C ATOM 614 C GLN A 41 1.317 -7.071 -4.706 1.00 62.44 C ATOM 615 O GLN A 41 1.284 -6.282 -3.766 1.00 53.51 O ATOM 616 CB GLN A 41 3.325 -8.558 -4.312 1.00 11.14 C ATOM 617 CG GLN A 41 4.677 -9.119 -4.799 1.00 44.31 C ATOM 618 CD GLN A 41 5.380 -9.966 -3.739 1.00 3.33 C ATOM 619 OE1 GLN A 41 5.146 -11.165 -3.628 1.00 62.45 O ATOM 620 NE2 GLN A 41 6.243 -9.354 -2.949 1.00 5.34 N ATOM 0 H GLN A 41 4.166 -6.199 -4.636 1.00 44.33 H new ATOM 0 HA GLN A 41 2.483 -7.995 -6.250 1.00 52.15 H new ATOM 0 HB2 GLN A 41 3.470 -8.081 -3.343 1.00 11.14 H new ATOM 0 HB3 GLN A 41 2.634 -9.387 -4.159 1.00 11.14 H new ATOM 0 HG2 GLN A 41 4.515 -9.723 -5.692 1.00 44.31 H new ATOM 0 HG3 GLN A 41 5.326 -8.292 -5.087 1.00 44.31 H new ATOM 0 HE21 GLN A 41 6.419 -8.356 -3.063 1.00 5.34 H new ATOM 0 HE22 GLN A 41 6.733 -9.879 -2.225 1.00 5.34 H new ATOM 629 N LEU A 42 0.202 -7.562 -5.282 1.00 54.33 N ATOM 630 CA LEU A 42 -1.157 -7.352 -4.720 1.00 4.25 C ATOM 631 C LEU A 42 -1.761 -8.696 -4.257 1.00 42.23 C ATOM 632 O LEU A 42 -1.744 -9.685 -5.002 1.00 0.03 O ATOM 633 CB LEU A 42 -2.110 -6.686 -5.757 1.00 33.24 C ATOM 634 CG LEU A 42 -1.703 -5.267 -6.273 1.00 3.31 C ATOM 635 CD1 LEU A 42 -2.790 -4.685 -7.202 1.00 45.25 C ATOM 636 CD2 LEU A 42 -1.414 -4.306 -5.105 1.00 13.33 C ATOM 0 H LEU A 42 0.211 -8.111 -6.142 1.00 54.33 H new ATOM 0 HA LEU A 42 -1.056 -6.682 -3.866 1.00 4.25 H new ATOM 0 HB2 LEU A 42 -2.194 -7.350 -6.617 1.00 33.24 H new ATOM 0 HB3 LEU A 42 -3.102 -6.615 -5.311 1.00 33.24 H new ATOM 0 HG LEU A 42 -0.784 -5.378 -6.849 1.00 3.31 H new ATOM 0 HD11 LEU A 42 -2.483 -3.698 -7.547 1.00 45.25 H new ATOM 0 HD12 LEU A 42 -2.926 -5.343 -8.060 1.00 45.25 H new ATOM 0 HD13 LEU A 42 -3.729 -4.602 -6.656 1.00 45.25 H new ATOM 0 HD21 LEU A 42 -1.134 -3.329 -5.499 1.00 13.33 H new ATOM 0 HD22 LEU A 42 -2.306 -4.206 -4.487 1.00 13.33 H new ATOM 0 HD23 LEU A 42 -0.597 -4.702 -4.502 1.00 13.33 H new ATOM 648 N GLU A 43 -2.291 -8.721 -3.021 1.00 35.32 N ATOM 649 CA GLU A 43 -3.028 -9.878 -2.471 1.00 50.12 C ATOM 650 C GLU A 43 -4.469 -9.463 -2.099 1.00 25.42 C ATOM 651 O GLU A 43 -4.666 -8.549 -1.289 1.00 1.12 O ATOM 652 CB GLU A 43 -2.323 -10.457 -1.212 1.00 71.05 C ATOM 653 CG GLU A 43 -2.995 -11.739 -0.664 1.00 34.22 C ATOM 654 CD GLU A 43 -2.471 -12.152 0.714 1.00 24.14 C ATOM 655 OE1 GLU A 43 -2.969 -11.618 1.722 1.00 72.02 O ATOM 656 OE2 GLU A 43 -1.556 -13.002 0.797 1.00 2.34 O ATOM 0 H GLU A 43 -2.221 -7.938 -2.372 1.00 35.32 H new ATOM 0 HA GLU A 43 -3.050 -10.649 -3.241 1.00 50.12 H new ATOM 0 HB2 GLU A 43 -1.284 -10.677 -1.456 1.00 71.05 H new ATOM 0 HB3 GLU A 43 -2.313 -9.698 -0.429 1.00 71.05 H new ATOM 0 HG2 GLU A 43 -4.072 -11.580 -0.604 1.00 34.22 H new ATOM 0 HG3 GLU A 43 -2.833 -12.556 -1.367 1.00 34.22 H new ATOM 663 N GLN A 44 -5.469 -10.135 -2.702 1.00 1.02 N ATOM 664 CA GLN A 44 -6.888 -9.980 -2.322 1.00 65.11 C ATOM 665 C GLN A 44 -7.384 -11.252 -1.580 1.00 52.53 C ATOM 666 O GLN A 44 -7.641 -12.297 -2.189 1.00 55.23 O ATOM 667 CB GLN A 44 -7.764 -9.653 -3.579 1.00 44.02 C ATOM 668 CG GLN A 44 -7.589 -10.612 -4.786 1.00 70.15 C ATOM 669 CD GLN A 44 -8.555 -10.334 -5.948 1.00 63.12 C ATOM 670 OE1 GLN A 44 -9.665 -9.864 -5.751 1.00 61.20 O ATOM 671 NE2 GLN A 44 -8.151 -10.635 -7.165 1.00 4.03 N ATOM 0 H GLN A 44 -5.318 -10.798 -3.463 1.00 1.02 H new ATOM 0 HA GLN A 44 -6.985 -9.138 -1.636 1.00 65.11 H new ATOM 0 HB2 GLN A 44 -8.812 -9.661 -3.281 1.00 44.02 H new ATOM 0 HB3 GLN A 44 -7.533 -8.639 -3.907 1.00 44.02 H new ATOM 0 HG2 GLN A 44 -6.565 -10.536 -5.152 1.00 70.15 H new ATOM 0 HG3 GLN A 44 -7.731 -11.638 -4.446 1.00 70.15 H new ATOM 0 HE21 GLN A 44 -7.221 -11.027 -7.311 1.00 4.03 H new ATOM 0 HE22 GLN A 44 -8.768 -10.476 -7.961 1.00 4.03 H new ATOM 680 N ALA A 45 -7.475 -11.163 -0.240 1.00 63.22 N ATOM 681 CA ALA A 45 -8.024 -12.248 0.612 1.00 21.01 C ATOM 682 C ALA A 45 -9.462 -11.886 1.051 1.00 11.23 C ATOM 683 O ALA A 45 -10.412 -12.630 0.782 1.00 14.12 O ATOM 684 CB ALA A 45 -7.094 -12.506 1.816 1.00 72.21 C ATOM 0 H ALA A 45 -7.173 -10.343 0.286 1.00 63.22 H new ATOM 0 HA ALA A 45 -8.074 -13.176 0.042 1.00 21.01 H new ATOM 0 HB1 ALA A 45 -7.509 -13.304 2.432 1.00 72.21 H new ATOM 0 HB2 ALA A 45 -6.108 -12.800 1.457 1.00 72.21 H new ATOM 0 HB3 ALA A 45 -7.008 -11.596 2.410 1.00 72.21 H new ATOM 690 N GLY A 46 -9.605 -10.715 1.690 1.00 25.02 N ATOM 691 CA GLY A 46 -10.918 -10.189 2.107 1.00 54.34 C ATOM 692 C GLY A 46 -10.763 -9.064 3.129 1.00 42.34 C ATOM 693 O GLY A 46 -10.631 -7.892 2.751 1.00 33.52 O ATOM 0 H GLY A 46 -8.821 -10.108 1.932 1.00 25.02 H new ATOM 0 HA2 GLY A 46 -11.458 -9.820 1.235 1.00 54.34 H new ATOM 0 HA3 GLY A 46 -11.516 -10.994 2.536 1.00 54.34 H new ATOM 697 N ALA A 47 -10.752 -9.435 4.425 1.00 14.12 N ATOM 698 CA ALA A 47 -10.438 -8.508 5.534 1.00 3.15 C ATOM 699 C ALA A 47 -8.953 -8.079 5.473 1.00 45.32 C ATOM 700 O ALA A 47 -8.617 -6.906 5.676 1.00 31.22 O ATOM 701 CB ALA A 47 -10.758 -9.179 6.885 1.00 41.15 C ATOM 0 H ALA A 47 -10.960 -10.385 4.734 1.00 14.12 H new ATOM 0 HA ALA A 47 -11.054 -7.614 5.435 1.00 3.15 H new ATOM 0 HB1 ALA A 47 -10.524 -8.491 7.697 1.00 41.15 H new ATOM 0 HB2 ALA A 47 -11.816 -9.437 6.921 1.00 41.15 H new ATOM 0 HB3 ALA A 47 -10.160 -10.084 6.993 1.00 41.15 H new ATOM 707 N ARG A 48 -8.077 -9.067 5.184 1.00 25.42 N ATOM 708 CA ARG A 48 -6.636 -8.840 4.980 1.00 35.41 C ATOM 709 C ARG A 48 -6.321 -8.598 3.490 1.00 54.11 C ATOM 710 O ARG A 48 -6.586 -9.454 2.645 1.00 70.11 O ATOM 711 CB ARG A 48 -5.794 -10.034 5.499 1.00 10.15 C ATOM 712 CG ARG A 48 -4.264 -9.771 5.496 1.00 35.01 C ATOM 713 CD ARG A 48 -3.441 -11.046 5.763 1.00 3.31 C ATOM 714 NE ARG A 48 -3.473 -11.958 4.609 1.00 14.31 N ATOM 715 CZ ARG A 48 -3.631 -13.262 4.643 1.00 44.14 C ATOM 716 NH1 ARG A 48 -3.846 -13.893 5.755 1.00 54.10 N ATOM 717 NH2 ARG A 48 -3.579 -13.925 3.537 1.00 60.42 N ATOM 0 H ARG A 48 -8.353 -10.044 5.086 1.00 25.42 H new ATOM 0 HA ARG A 48 -6.368 -7.951 5.551 1.00 35.41 H new ATOM 0 HB2 ARG A 48 -6.110 -10.275 6.514 1.00 10.15 H new ATOM 0 HB3 ARG A 48 -6.004 -10.909 4.884 1.00 10.15 H new ATOM 0 HG2 ARG A 48 -3.974 -9.351 4.533 1.00 35.01 H new ATOM 0 HG3 ARG A 48 -4.026 -9.025 6.254 1.00 35.01 H new ATOM 0 HD2 ARG A 48 -2.409 -10.775 5.985 1.00 3.31 H new ATOM 0 HD3 ARG A 48 -3.833 -11.556 6.643 1.00 3.31 H new ATOM 0 HE ARG A 48 -3.361 -11.535 3.688 1.00 14.31 H new ATOM 0 HH11 ARG A 48 -3.896 -13.376 6.633 1.00 54.10 H new ATOM 0 HH12 ARG A 48 -3.965 -14.906 5.752 1.00 54.10 H new ATOM 0 HH21 ARG A 48 -3.418 -13.436 2.656 1.00 60.42 H new ATOM 0 HH22 ARG A 48 -3.699 -14.938 3.543 1.00 60.42 H new ATOM 731 N GLN A 49 -5.792 -7.409 3.182 1.00 3.11 N ATOM 732 CA GLN A 49 -5.214 -7.091 1.857 1.00 15.13 C ATOM 733 C GLN A 49 -3.714 -6.800 2.034 1.00 73.14 C ATOM 734 O GLN A 49 -3.337 -6.108 2.979 1.00 54.35 O ATOM 735 CB GLN A 49 -5.926 -5.864 1.234 1.00 33.04 C ATOM 736 CG GLN A 49 -7.449 -6.011 1.061 1.00 61.34 C ATOM 737 CD GLN A 49 -7.866 -7.162 0.128 1.00 40.13 C ATOM 738 OE1 GLN A 49 -7.914 -7.011 -1.088 1.00 4.43 O ATOM 739 NE2 GLN A 49 -8.236 -8.294 0.687 1.00 52.14 N ATOM 0 H GLN A 49 -5.749 -6.632 3.842 1.00 3.11 H new ATOM 0 HA GLN A 49 -5.352 -7.938 1.185 1.00 15.13 H new ATOM 0 HB2 GLN A 49 -5.729 -4.993 1.859 1.00 33.04 H new ATOM 0 HB3 GLN A 49 -5.483 -5.663 0.259 1.00 33.04 H new ATOM 0 HG2 GLN A 49 -7.902 -6.169 2.040 1.00 61.34 H new ATOM 0 HG3 GLN A 49 -7.852 -5.076 0.670 1.00 61.34 H new ATOM 0 HE21 GLN A 49 -8.189 -8.402 1.700 1.00 52.14 H new ATOM 0 HE22 GLN A 49 -8.570 -9.064 0.107 1.00 52.14 H new ATOM 748 N VAL A 50 -2.851 -7.352 1.159 1.00 50.13 N ATOM 749 CA VAL A 50 -1.383 -7.146 1.272 1.00 42.10 C ATOM 750 C VAL A 50 -0.771 -6.595 -0.046 1.00 11.43 C ATOM 751 O VAL A 50 -0.697 -7.294 -1.057 1.00 52.12 O ATOM 752 CB VAL A 50 -0.640 -8.467 1.729 1.00 21.53 C ATOM 753 CG1 VAL A 50 0.882 -8.230 1.876 1.00 63.30 C ATOM 754 CG2 VAL A 50 -1.233 -9.018 3.053 1.00 22.45 C ATOM 0 H VAL A 50 -3.134 -7.938 0.374 1.00 50.13 H new ATOM 0 HA VAL A 50 -1.232 -6.393 2.045 1.00 42.10 H new ATOM 0 HB VAL A 50 -0.796 -9.214 0.950 1.00 21.53 H new ATOM 0 HG11 VAL A 50 1.365 -9.155 2.191 1.00 63.30 H new ATOM 0 HG12 VAL A 50 1.295 -7.912 0.919 1.00 63.30 H new ATOM 0 HG13 VAL A 50 1.059 -7.456 2.622 1.00 63.30 H new ATOM 0 HG21 VAL A 50 -0.701 -9.925 3.340 1.00 22.45 H new ATOM 0 HG22 VAL A 50 -1.125 -8.270 3.839 1.00 22.45 H new ATOM 0 HG23 VAL A 50 -2.289 -9.246 2.911 1.00 22.45 H new ATOM 764 N LEU A 51 -0.347 -5.314 -0.002 1.00 22.30 N ATOM 765 CA LEU A 51 0.468 -4.668 -1.059 1.00 63.04 C ATOM 766 C LEU A 51 1.940 -4.632 -0.597 1.00 40.23 C ATOM 767 O LEU A 51 2.252 -4.076 0.455 1.00 31.42 O ATOM 768 CB LEU A 51 -0.101 -3.238 -1.383 1.00 12.12 C ATOM 769 CG LEU A 51 0.727 -2.228 -2.283 1.00 22.05 C ATOM 770 CD1 LEU A 51 1.735 -1.396 -1.460 1.00 23.32 C ATOM 771 CD2 LEU A 51 1.431 -2.935 -3.462 1.00 73.30 C ATOM 0 H LEU A 51 -0.562 -4.690 0.776 1.00 22.30 H new ATOM 0 HA LEU A 51 0.419 -5.239 -1.986 1.00 63.04 H new ATOM 0 HB2 LEU A 51 -1.069 -3.378 -1.864 1.00 12.12 H new ATOM 0 HB3 LEU A 51 -0.287 -2.742 -0.430 1.00 12.12 H new ATOM 0 HG LEU A 51 -0.003 -1.536 -2.703 1.00 22.05 H new ATOM 0 HD11 LEU A 51 2.276 -0.721 -2.123 1.00 23.32 H new ATOM 0 HD12 LEU A 51 1.200 -0.816 -0.708 1.00 23.32 H new ATOM 0 HD13 LEU A 51 2.441 -2.064 -0.967 1.00 23.32 H new ATOM 0 HD21 LEU A 51 1.984 -2.201 -4.048 1.00 73.30 H new ATOM 0 HD22 LEU A 51 2.120 -3.686 -3.077 1.00 73.30 H new ATOM 0 HD23 LEU A 51 0.686 -3.417 -4.095 1.00 73.30 H new ATOM 783 N ARG A 52 2.839 -5.239 -1.392 1.00 32.14 N ATOM 784 CA ARG A 52 4.283 -5.279 -1.083 1.00 55.21 C ATOM 785 C ARG A 52 5.077 -4.598 -2.217 1.00 12.03 C ATOM 786 O ARG A 52 5.171 -5.157 -3.299 1.00 21.44 O ATOM 787 CB ARG A 52 4.774 -6.758 -0.897 1.00 72.31 C ATOM 788 CG ARG A 52 3.760 -7.693 -0.201 1.00 12.15 C ATOM 789 CD ARG A 52 4.336 -9.082 0.155 1.00 1.44 C ATOM 790 NE ARG A 52 5.125 -9.056 1.407 1.00 34.01 N ATOM 791 CZ ARG A 52 6.390 -9.394 1.544 1.00 13.13 C ATOM 792 NH1 ARG A 52 7.116 -9.732 0.532 1.00 45.11 N ATOM 793 NH2 ARG A 52 6.921 -9.389 2.717 1.00 31.12 N ATOM 0 H ARG A 52 2.590 -5.713 -2.260 1.00 32.14 H new ATOM 0 HA ARG A 52 4.453 -4.743 -0.149 1.00 55.21 H new ATOM 0 HB2 ARG A 52 5.016 -7.172 -1.876 1.00 72.31 H new ATOM 0 HB3 ARG A 52 5.697 -6.750 -0.317 1.00 72.31 H new ATOM 0 HG2 ARG A 52 3.404 -7.213 0.711 1.00 12.15 H new ATOM 0 HG3 ARG A 52 2.895 -7.824 -0.851 1.00 12.15 H new ATOM 0 HD2 ARG A 52 3.519 -9.797 0.257 1.00 1.44 H new ATOM 0 HD3 ARG A 52 4.966 -9.432 -0.662 1.00 1.44 H new ATOM 0 HE ARG A 52 4.640 -8.745 2.248 1.00 34.01 H new ATOM 0 HH11 ARG A 52 6.712 -9.742 -0.405 1.00 45.11 H new ATOM 0 HH12 ARG A 52 8.094 -9.989 0.669 1.00 45.11 H new ATOM 0 HH21 ARG A 52 6.362 -9.125 3.529 1.00 31.12 H new ATOM 0 HH22 ARG A 52 7.900 -9.649 2.835 1.00 31.12 H new ATOM 807 N VAL A 53 5.628 -3.385 -1.983 1.00 30.04 N ATOM 808 CA VAL A 53 6.530 -2.721 -2.968 1.00 24.43 C ATOM 809 C VAL A 53 8.000 -2.831 -2.498 1.00 33.31 C ATOM 810 O VAL A 53 8.404 -2.206 -1.516 1.00 14.53 O ATOM 811 CB VAL A 53 6.167 -1.207 -3.220 1.00 24.55 C ATOM 812 CG1 VAL A 53 7.093 -0.583 -4.301 1.00 31.34 C ATOM 813 CG2 VAL A 53 4.683 -1.040 -3.615 1.00 54.30 C ATOM 0 H VAL A 53 5.470 -2.846 -1.132 1.00 30.04 H new ATOM 0 HA VAL A 53 6.394 -3.243 -3.915 1.00 24.43 H new ATOM 0 HB VAL A 53 6.327 -0.674 -2.283 1.00 24.55 H new ATOM 0 HG11 VAL A 53 6.821 0.461 -4.455 1.00 31.34 H new ATOM 0 HG12 VAL A 53 8.130 -0.643 -3.970 1.00 31.34 H new ATOM 0 HG13 VAL A 53 6.979 -1.129 -5.237 1.00 31.34 H new ATOM 0 HG21 VAL A 53 4.467 0.015 -3.781 1.00 54.30 H new ATOM 0 HG22 VAL A 53 4.485 -1.599 -4.529 1.00 54.30 H new ATOM 0 HG23 VAL A 53 4.048 -1.418 -2.814 1.00 54.30 H new ATOM 823 N GLN A 54 8.783 -3.651 -3.203 1.00 43.11 N ATOM 824 CA GLN A 54 10.217 -3.866 -2.908 1.00 21.34 C ATOM 825 C GLN A 54 11.086 -2.755 -3.557 1.00 72.24 C ATOM 826 O GLN A 54 10.761 -2.258 -4.639 1.00 72.23 O ATOM 827 CB GLN A 54 10.616 -5.277 -3.408 1.00 21.01 C ATOM 828 CG GLN A 54 9.784 -6.406 -2.758 1.00 4.13 C ATOM 829 CD GLN A 54 10.079 -7.814 -3.297 1.00 4.14 C ATOM 830 OE1 GLN A 54 10.392 -7.998 -4.467 1.00 64.31 O ATOM 831 NE2 GLN A 54 10.021 -8.814 -2.432 1.00 40.24 N ATOM 0 H GLN A 54 8.446 -4.191 -4.000 1.00 43.11 H new ATOM 0 HA GLN A 54 10.391 -3.809 -1.833 1.00 21.34 H new ATOM 0 HB2 GLN A 54 10.494 -5.321 -4.490 1.00 21.01 H new ATOM 0 HB3 GLN A 54 11.672 -5.445 -3.199 1.00 21.01 H new ATOM 0 HG2 GLN A 54 9.964 -6.398 -1.683 1.00 4.13 H new ATOM 0 HG3 GLN A 54 8.726 -6.190 -2.906 1.00 4.13 H new ATOM 0 HE21 GLN A 54 9.758 -8.635 -1.463 1.00 40.24 H new ATOM 0 HE22 GLN A 54 10.240 -9.763 -2.734 1.00 40.24 H new ATOM 840 N GLY A 55 12.186 -2.371 -2.881 1.00 71.41 N ATOM 841 CA GLY A 55 12.998 -1.212 -3.305 1.00 15.51 C ATOM 842 C GLY A 55 12.337 0.127 -2.944 1.00 50.13 C ATOM 843 O GLY A 55 12.490 1.126 -3.654 1.00 10.32 O ATOM 0 H GLY A 55 12.532 -2.842 -2.045 1.00 71.41 H new ATOM 0 HA2 GLY A 55 13.980 -1.268 -2.835 1.00 15.51 H new ATOM 0 HA3 GLY A 55 13.157 -1.257 -4.382 1.00 15.51 H new ATOM 847 N ALA A 56 11.594 0.116 -1.830 1.00 21.55 N ATOM 848 CA ALA A 56 10.871 1.285 -1.293 1.00 0.24 C ATOM 849 C ALA A 56 11.838 2.326 -0.681 1.00 31.55 C ATOM 850 O ALA A 56 12.442 2.048 0.347 1.00 35.24 O ATOM 851 CB ALA A 56 9.867 0.795 -0.225 1.00 22.31 C ATOM 0 H ALA A 56 11.474 -0.722 -1.262 1.00 21.55 H new ATOM 0 HA ALA A 56 10.345 1.778 -2.110 1.00 0.24 H new ATOM 0 HB1 ALA A 56 9.324 1.648 0.182 1.00 22.31 H new ATOM 0 HB2 ALA A 56 9.162 0.100 -0.680 1.00 22.31 H new ATOM 0 HB3 ALA A 56 10.406 0.291 0.577 1.00 22.31 H new ATOM 857 N ARG A 57 11.975 3.525 -1.302 1.00 24.24 N ATOM 858 CA ARG A 57 12.856 4.609 -0.774 1.00 14.22 C ATOM 859 C ARG A 57 12.229 6.027 -0.948 1.00 51.04 C ATOM 860 O ARG A 57 11.424 6.461 -0.118 1.00 31.21 O ATOM 861 CB ARG A 57 14.288 4.514 -1.402 1.00 43.12 C ATOM 862 CG ARG A 57 15.312 5.562 -0.877 1.00 3.22 C ATOM 863 CD ARG A 57 16.718 5.389 -1.483 1.00 22.34 C ATOM 864 NE ARG A 57 17.330 4.110 -1.089 1.00 23.24 N ATOM 865 CZ ARG A 57 18.245 3.461 -1.760 1.00 64.44 C ATOM 866 NH1 ARG A 57 18.685 3.893 -2.887 1.00 40.13 N ATOM 867 NH2 ARG A 57 18.718 2.369 -1.292 1.00 63.42 N ATOM 0 H ARG A 57 11.491 3.769 -2.166 1.00 24.24 H new ATOM 0 HA ARG A 57 12.952 4.457 0.301 1.00 14.22 H new ATOM 0 HB2 ARG A 57 14.684 3.516 -1.214 1.00 43.12 H new ATOM 0 HB3 ARG A 57 14.201 4.624 -2.483 1.00 43.12 H new ATOM 0 HG2 ARG A 57 14.946 6.564 -1.103 1.00 3.22 H new ATOM 0 HG3 ARG A 57 15.378 5.484 0.208 1.00 3.22 H new ATOM 0 HD2 ARG A 57 16.654 5.442 -2.570 1.00 22.34 H new ATOM 0 HD3 ARG A 57 17.356 6.212 -1.161 1.00 22.34 H new ATOM 0 HE ARG A 57 17.012 3.693 -0.214 1.00 23.24 H new ATOM 0 HH11 ARG A 57 18.320 4.761 -3.278 1.00 40.13 H new ATOM 0 HH12 ARG A 57 19.400 3.368 -3.391 1.00 40.13 H new ATOM 0 HH21 ARG A 57 18.381 2.008 -0.399 1.00 63.42 H new ATOM 0 HH22 ARG A 57 19.432 1.858 -1.811 1.00 63.42 H new ATOM 881 N SER A 58 12.583 6.742 -2.033 1.00 4.04 N ATOM 882 CA SER A 58 12.263 8.182 -2.190 1.00 15.11 C ATOM 883 C SER A 58 10.835 8.391 -2.731 1.00 2.34 C ATOM 884 O SER A 58 9.976 8.964 -2.045 1.00 24.03 O ATOM 885 CB SER A 58 13.301 8.854 -3.121 1.00 45.32 C ATOM 886 OG SER A 58 14.620 8.677 -2.631 1.00 33.50 O ATOM 0 H SER A 58 13.095 6.346 -2.822 1.00 4.04 H new ATOM 0 HA SER A 58 12.310 8.648 -1.206 1.00 15.11 H new ATOM 0 HB2 SER A 58 13.223 8.431 -4.123 1.00 45.32 H new ATOM 0 HB3 SER A 58 13.082 9.918 -3.206 1.00 45.32 H new ATOM 0 HG SER A 58 15.256 9.110 -3.239 1.00 33.50 H new ATOM 892 N GLY A 59 10.580 7.880 -3.953 1.00 42.32 N ATOM 893 CA GLY A 59 9.266 8.024 -4.614 1.00 64.01 C ATOM 894 C GLY A 59 8.165 7.118 -4.033 1.00 22.11 C ATOM 895 O GLY A 59 6.996 7.213 -4.432 1.00 44.14 O ATOM 0 H GLY A 59 11.267 7.364 -4.502 1.00 42.32 H new ATOM 0 HA2 GLY A 59 8.945 9.063 -4.537 1.00 64.01 H new ATOM 0 HA3 GLY A 59 9.380 7.804 -5.675 1.00 64.01 H new ATOM 899 N ASP A 60 8.539 6.238 -3.087 1.00 73.43 N ATOM 900 CA ASP A 60 7.609 5.284 -2.452 1.00 44.13 C ATOM 901 C ASP A 60 6.750 5.965 -1.357 1.00 74.02 C ATOM 902 O ASP A 60 5.574 5.622 -1.178 1.00 43.32 O ATOM 903 CB ASP A 60 8.399 4.109 -1.842 1.00 61.45 C ATOM 904 CG ASP A 60 7.480 2.960 -1.403 1.00 33.40 C ATOM 905 OD1 ASP A 60 7.149 2.110 -2.255 1.00 1.31 O ATOM 906 OD2 ASP A 60 7.065 2.918 -0.225 1.00 61.25 O ATOM 0 H ASP A 60 9.496 6.167 -2.740 1.00 73.43 H new ATOM 0 HA ASP A 60 6.934 4.913 -3.223 1.00 44.13 H new ATOM 0 HB2 ASP A 60 9.118 3.738 -2.573 1.00 61.45 H new ATOM 0 HB3 ASP A 60 8.970 4.464 -0.984 1.00 61.45 H new ATOM 911 N ALA A 61 7.352 6.929 -0.638 1.00 22.24 N ATOM 912 CA ALA A 61 6.696 7.621 0.488 1.00 43.15 C ATOM 913 C ALA A 61 5.522 8.491 -0.002 1.00 54.45 C ATOM 914 O ALA A 61 5.732 9.539 -0.636 1.00 62.31 O ATOM 915 CB ALA A 61 7.720 8.457 1.279 1.00 13.04 C ATOM 0 H ALA A 61 8.303 7.250 -0.819 1.00 22.24 H new ATOM 0 HA ALA A 61 6.285 6.867 1.159 1.00 43.15 H new ATOM 0 HB1 ALA A 61 7.218 8.960 2.105 1.00 13.04 H new ATOM 0 HB2 ALA A 61 8.498 7.803 1.671 1.00 13.04 H new ATOM 0 HB3 ALA A 61 8.169 9.201 0.620 1.00 13.04 H new ATOM 921 N GLY A 62 4.293 8.022 0.268 1.00 65.14 N ATOM 922 CA GLY A 62 3.092 8.686 -0.222 1.00 42.14 C ATOM 923 C GLY A 62 1.783 8.002 0.181 1.00 42.11 C ATOM 924 O GLY A 62 1.770 7.097 1.023 1.00 11.15 O ATOM 0 H GLY A 62 4.114 7.185 0.823 1.00 65.14 H new ATOM 0 HA2 GLY A 62 3.081 9.711 0.148 1.00 42.14 H new ATOM 0 HA3 GLY A 62 3.140 8.741 -1.310 1.00 42.14 H new ATOM 928 N GLU A 63 0.677 8.464 -0.429 1.00 72.40 N ATOM 929 CA GLU A 63 -0.690 7.991 -0.127 1.00 13.40 C ATOM 930 C GLU A 63 -1.024 6.711 -0.926 1.00 3.51 C ATOM 931 O GLU A 63 -0.963 6.715 -2.158 1.00 75.15 O ATOM 932 CB GLU A 63 -1.741 9.093 -0.466 1.00 11.43 C ATOM 933 CG GLU A 63 -1.688 10.382 0.394 1.00 3.11 C ATOM 934 CD GLU A 63 -0.410 11.228 0.224 1.00 42.42 C ATOM 935 OE1 GLU A 63 -0.277 11.919 -0.809 1.00 22.43 O ATOM 936 OE2 GLU A 63 0.480 11.192 1.106 1.00 72.41 O ATOM 0 H GLU A 63 0.705 9.183 -1.152 1.00 72.40 H new ATOM 0 HA GLU A 63 -0.730 7.766 0.939 1.00 13.40 H new ATOM 0 HB2 GLU A 63 -1.616 9.374 -1.512 1.00 11.43 H new ATOM 0 HB3 GLU A 63 -2.736 8.658 -0.369 1.00 11.43 H new ATOM 0 HG2 GLU A 63 -2.551 11.001 0.147 1.00 3.11 H new ATOM 0 HG3 GLU A 63 -1.785 10.104 1.444 1.00 3.11 H new ATOM 943 N TYR A 64 -1.360 5.625 -0.211 1.00 42.32 N ATOM 944 CA TYR A 64 -1.852 4.361 -0.808 1.00 44.02 C ATOM 945 C TYR A 64 -3.340 4.142 -0.443 1.00 31.54 C ATOM 946 O TYR A 64 -3.662 3.891 0.721 1.00 62.32 O ATOM 947 CB TYR A 64 -1.006 3.161 -0.308 1.00 51.33 C ATOM 948 CG TYR A 64 0.453 3.144 -0.798 1.00 44.22 C ATOM 949 CD1 TYR A 64 1.418 4.007 -0.260 1.00 3.53 C ATOM 950 CD2 TYR A 64 0.865 2.255 -1.796 1.00 35.12 C ATOM 951 CE1 TYR A 64 2.725 3.971 -0.692 1.00 60.51 C ATOM 952 CE2 TYR A 64 2.177 2.218 -2.223 1.00 71.43 C ATOM 953 CZ TYR A 64 3.098 3.078 -1.670 1.00 70.02 C ATOM 954 OH TYR A 64 4.397 3.043 -2.100 1.00 11.33 O ATOM 0 H TYR A 64 -1.299 5.594 0.807 1.00 42.32 H new ATOM 0 HA TYR A 64 -1.757 4.431 -1.892 1.00 44.02 H new ATOM 0 HB2 TYR A 64 -1.007 3.164 0.782 1.00 51.33 H new ATOM 0 HB3 TYR A 64 -1.490 2.237 -0.625 1.00 51.33 H new ATOM 0 HD1 TYR A 64 1.131 4.712 0.506 1.00 3.53 H new ATOM 0 HD2 TYR A 64 0.144 1.585 -2.241 1.00 35.12 H new ATOM 0 HE1 TYR A 64 3.455 4.642 -0.264 1.00 60.51 H new ATOM 0 HE2 TYR A 64 2.479 1.518 -2.987 1.00 71.43 H new ATOM 0 HH TYR A 64 4.931 3.679 -1.580 1.00 11.33 H new ATOM 964 N LEU A 65 -4.249 4.205 -1.430 1.00 11.34 N ATOM 965 CA LEU A 65 -5.697 4.072 -1.167 1.00 22.53 C ATOM 966 C LEU A 65 -6.159 2.601 -1.329 1.00 32.14 C ATOM 967 O LEU A 65 -6.316 2.096 -2.449 1.00 64.14 O ATOM 968 CB LEU A 65 -6.510 5.022 -2.091 1.00 44.53 C ATOM 969 CG LEU A 65 -8.062 5.019 -1.881 1.00 31.43 C ATOM 970 CD1 LEU A 65 -8.442 5.468 -0.450 1.00 0.34 C ATOM 971 CD2 LEU A 65 -8.766 5.886 -2.948 1.00 73.40 C ATOM 0 H LEU A 65 -4.012 4.346 -2.412 1.00 11.34 H new ATOM 0 HA LEU A 65 -5.884 4.364 -0.134 1.00 22.53 H new ATOM 0 HB2 LEU A 65 -6.145 6.039 -1.945 1.00 44.53 H new ATOM 0 HB3 LEU A 65 -6.303 4.754 -3.127 1.00 44.53 H new ATOM 0 HG LEU A 65 -8.410 3.993 -2.001 1.00 31.43 H new ATOM 0 HD11 LEU A 65 -9.526 5.454 -0.340 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -7.995 4.788 0.275 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -8.073 6.479 -0.276 1.00 0.34 H new ATOM 0 HD21 LEU A 65 -9.843 5.867 -2.780 1.00 73.40 H new ATOM 0 HD22 LEU A 65 -8.406 6.912 -2.878 1.00 73.40 H new ATOM 0 HD23 LEU A 65 -8.547 5.491 -3.940 1.00 73.40 H new ATOM 983 N CYS A 66 -6.325 1.919 -0.186 1.00 23.12 N ATOM 984 CA CYS A 66 -6.927 0.573 -0.110 1.00 45.14 C ATOM 985 C CYS A 66 -8.472 0.709 -0.116 1.00 11.23 C ATOM 986 O CYS A 66 -9.107 0.869 0.932 1.00 0.13 O ATOM 987 CB CYS A 66 -6.421 -0.148 1.164 1.00 14.41 C ATOM 988 SG CYS A 66 -6.885 -1.885 1.293 1.00 50.13 S ATOM 0 H CYS A 66 -6.043 2.287 0.723 1.00 23.12 H new ATOM 0 HA CYS A 66 -6.633 -0.026 -0.972 1.00 45.14 H new ATOM 0 HB2 CYS A 66 -5.334 -0.075 1.197 1.00 14.41 H new ATOM 0 HB3 CYS A 66 -6.803 0.380 2.038 1.00 14.41 H new ATOM 0 HG CYS A 66 -5.851 -2.630 1.036 1.00 50.13 H new ATOM 994 N ASP A 67 -9.059 0.697 -1.323 1.00 55.12 N ATOM 995 CA ASP A 67 -10.487 1.023 -1.544 1.00 1.05 C ATOM 996 C ASP A 67 -11.403 -0.230 -1.426 1.00 35.31 C ATOM 997 O ASP A 67 -11.598 -0.971 -2.400 1.00 61.41 O ATOM 998 CB ASP A 67 -10.634 1.715 -2.925 1.00 10.33 C ATOM 999 CG ASP A 67 -12.090 2.039 -3.298 1.00 34.31 C ATOM 1000 OD1 ASP A 67 -12.707 2.877 -2.613 1.00 41.04 O ATOM 1001 OD2 ASP A 67 -12.617 1.470 -4.286 1.00 25.40 O ATOM 0 H ASP A 67 -8.559 0.461 -2.180 1.00 55.12 H new ATOM 0 HA ASP A 67 -10.818 1.705 -0.761 1.00 1.05 H new ATOM 0 HB2 ASP A 67 -10.054 2.638 -2.923 1.00 10.33 H new ATOM 0 HB3 ASP A 67 -10.206 1.071 -3.693 1.00 10.33 H new ATOM 1006 N ALA A 68 -11.937 -0.477 -0.214 1.00 53.32 N ATOM 1007 CA ALA A 68 -12.873 -1.599 0.042 1.00 31.10 C ATOM 1008 C ALA A 68 -14.339 -1.209 -0.279 1.00 2.23 C ATOM 1009 O ALA A 68 -14.645 -0.010 -0.357 1.00 50.20 O ATOM 1010 CB ALA A 68 -12.738 -2.069 1.502 1.00 51.15 C ATOM 0 H ALA A 68 -11.737 0.088 0.611 1.00 53.32 H new ATOM 0 HA ALA A 68 -12.608 -2.421 -0.623 1.00 31.10 H new ATOM 0 HB1 ALA A 68 -13.428 -2.893 1.684 1.00 51.15 H new ATOM 0 HB2 ALA A 68 -11.717 -2.404 1.684 1.00 51.15 H new ATOM 0 HB3 ALA A 68 -12.974 -1.243 2.173 1.00 51.15 H new ATOM 1016 N PRO A 69 -15.259 -2.222 -0.516 1.00 42.10 N ATOM 1017 CA PRO A 69 -16.723 -1.990 -0.654 1.00 13.15 C ATOM 1018 C PRO A 69 -17.325 -1.045 0.432 1.00 54.24 C ATOM 1019 O PRO A 69 -17.515 -1.441 1.587 1.00 12.30 O ATOM 1020 CB PRO A 69 -17.306 -3.423 -0.548 1.00 15.21 C ATOM 1021 CG PRO A 69 -16.245 -4.295 -1.149 1.00 31.34 C ATOM 1022 CD PRO A 69 -14.925 -3.665 -0.743 1.00 14.25 C ATOM 0 HA PRO A 69 -16.964 -1.475 -1.584 1.00 13.15 H new ATOM 0 HB2 PRO A 69 -17.507 -3.696 0.488 1.00 15.21 H new ATOM 0 HB3 PRO A 69 -18.248 -3.511 -1.089 1.00 15.21 H new ATOM 0 HG2 PRO A 69 -16.322 -5.318 -0.780 1.00 31.34 H new ATOM 0 HG3 PRO A 69 -16.341 -4.340 -2.234 1.00 31.34 H new ATOM 0 HD2 PRO A 69 -14.524 -4.127 0.159 1.00 14.25 H new ATOM 0 HD3 PRO A 69 -14.172 -3.781 -1.522 1.00 14.25 H new ATOM 1030 N GLN A 70 -17.545 0.230 0.037 1.00 1.02 N ATOM 1031 CA GLN A 70 -18.116 1.307 0.892 1.00 31.02 C ATOM 1032 C GLN A 70 -17.229 1.681 2.119 1.00 65.21 C ATOM 1033 O GLN A 70 -17.683 2.414 3.013 1.00 11.10 O ATOM 1034 CB GLN A 70 -19.579 0.977 1.344 1.00 24.14 C ATOM 1035 CG GLN A 70 -20.579 0.774 0.181 1.00 40.12 C ATOM 1036 CD GLN A 70 -22.042 0.733 0.633 1.00 30.32 C ATOM 1037 OE1 GLN A 70 -22.716 1.754 0.671 1.00 33.42 O ATOM 1038 NE2 GLN A 70 -22.541 -0.438 0.987 1.00 43.22 N ATOM 0 H GLN A 70 -17.327 0.550 -0.906 1.00 1.02 H new ATOM 0 HA GLN A 70 -18.139 2.191 0.254 1.00 31.02 H new ATOM 0 HB2 GLN A 70 -19.562 0.074 1.954 1.00 24.14 H new ATOM 0 HB3 GLN A 70 -19.940 1.785 1.980 1.00 24.14 H new ATOM 0 HG2 GLN A 70 -20.453 1.581 -0.541 1.00 40.12 H new ATOM 0 HG3 GLN A 70 -20.340 -0.156 -0.335 1.00 40.12 H new ATOM 0 HE21 GLN A 70 -21.958 -1.274 0.946 1.00 43.22 H new ATOM 0 HE22 GLN A 70 -23.509 -0.506 1.301 1.00 43.22 H new ATOM 1047 N ASP A 71 -15.951 1.237 2.136 1.00 25.33 N ATOM 1048 CA ASP A 71 -15.003 1.559 3.228 1.00 61.42 C ATOM 1049 C ASP A 71 -13.550 1.677 2.689 1.00 30.00 C ATOM 1050 O ASP A 71 -12.757 0.735 2.763 1.00 54.10 O ATOM 1051 CB ASP A 71 -15.114 0.506 4.370 1.00 22.21 C ATOM 1052 CG ASP A 71 -14.282 0.866 5.621 1.00 31.20 C ATOM 1053 OD1 ASP A 71 -14.753 1.696 6.444 1.00 61.51 O ATOM 1054 OD2 ASP A 71 -13.166 0.327 5.792 1.00 71.13 O ATOM 0 H ASP A 71 -15.551 0.652 1.402 1.00 25.33 H new ATOM 0 HA ASP A 71 -15.269 2.531 3.645 1.00 61.42 H new ATOM 0 HB2 ASP A 71 -16.160 0.401 4.657 1.00 22.21 H new ATOM 0 HB3 ASP A 71 -14.788 -0.463 3.993 1.00 22.21 H new ATOM 1059 N SER A 72 -13.222 2.842 2.115 1.00 5.23 N ATOM 1060 CA SER A 72 -11.856 3.132 1.616 1.00 15.13 C ATOM 1061 C SER A 72 -10.916 3.515 2.781 1.00 72.01 C ATOM 1062 O SER A 72 -11.356 4.111 3.776 1.00 15.12 O ATOM 1063 CB SER A 72 -11.895 4.266 0.570 1.00 15.21 C ATOM 1064 OG SER A 72 -12.387 5.476 1.130 1.00 52.32 O ATOM 0 H SER A 72 -13.882 3.608 1.981 1.00 5.23 H new ATOM 0 HA SER A 72 -11.468 2.230 1.143 1.00 15.13 H new ATOM 0 HB2 SER A 72 -10.894 4.429 0.172 1.00 15.21 H new ATOM 0 HB3 SER A 72 -12.526 3.968 -0.267 1.00 15.21 H new ATOM 0 HG SER A 72 -12.397 6.174 0.442 1.00 52.32 H new ATOM 1070 N ARG A 73 -9.622 3.181 2.651 1.00 44.13 N ATOM 1071 CA ARG A 73 -8.618 3.424 3.710 1.00 73.15 C ATOM 1072 C ARG A 73 -7.331 4.026 3.101 1.00 73.24 C ATOM 1073 O ARG A 73 -6.771 3.465 2.162 1.00 12.20 O ATOM 1074 CB ARG A 73 -8.287 2.089 4.454 1.00 32.30 C ATOM 1075 CG ARG A 73 -7.851 2.257 5.939 1.00 31.34 C ATOM 1076 CD ARG A 73 -9.034 2.185 6.939 1.00 43.41 C ATOM 1077 NE ARG A 73 -10.168 3.073 6.588 1.00 33.43 N ATOM 1078 CZ ARG A 73 -11.415 2.914 6.994 1.00 14.43 C ATOM 1079 NH1 ARG A 73 -11.735 2.004 7.860 1.00 42.23 N ATOM 1080 NH2 ARG A 73 -12.337 3.689 6.542 1.00 31.33 N ATOM 0 H ARG A 73 -9.240 2.737 1.816 1.00 44.13 H new ATOM 0 HA ARG A 73 -9.031 4.134 4.426 1.00 73.15 H new ATOM 0 HB2 ARG A 73 -9.164 1.443 4.419 1.00 32.30 H new ATOM 0 HB3 ARG A 73 -7.492 1.576 3.913 1.00 32.30 H new ATOM 0 HG2 ARG A 73 -7.127 1.481 6.188 1.00 31.34 H new ATOM 0 HG3 ARG A 73 -7.344 3.215 6.055 1.00 31.34 H new ATOM 0 HD2 ARG A 73 -9.392 1.157 6.991 1.00 43.41 H new ATOM 0 HD3 ARG A 73 -8.673 2.447 7.934 1.00 43.41 H new ATOM 0 HE ARG A 73 -9.969 3.871 5.984 1.00 33.43 H new ATOM 0 HH11 ARG A 73 -11.016 1.390 8.244 1.00 42.23 H new ATOM 0 HH12 ARG A 73 -12.705 1.902 8.157 1.00 42.23 H new ATOM 0 HH21 ARG A 73 -12.104 4.423 5.873 1.00 31.33 H new ATOM 0 HH22 ARG A 73 -13.301 3.570 6.853 1.00 31.33 H new ATOM 1094 N ILE A 74 -6.866 5.173 3.639 1.00 14.04 N ATOM 1095 CA ILE A 74 -5.625 5.836 3.160 1.00 71.41 C ATOM 1096 C ILE A 74 -4.421 5.397 4.036 1.00 32.24 C ATOM 1097 O ILE A 74 -4.486 5.431 5.271 1.00 15.32 O ATOM 1098 CB ILE A 74 -5.724 7.422 3.145 1.00 32.20 C ATOM 1099 CG1 ILE A 74 -6.875 7.942 2.199 1.00 71.14 C ATOM 1100 CG2 ILE A 74 -4.362 8.065 2.750 1.00 63.43 C ATOM 1101 CD1 ILE A 74 -8.293 7.760 2.726 1.00 24.24 C ATOM 0 H ILE A 74 -7.328 5.663 4.405 1.00 14.04 H new ATOM 0 HA ILE A 74 -5.482 5.519 2.127 1.00 71.41 H new ATOM 0 HB ILE A 74 -5.974 7.730 4.160 1.00 32.20 H new ATOM 0 HG12 ILE A 74 -6.711 9.002 2.007 1.00 71.14 H new ATOM 0 HG13 ILE A 74 -6.794 7.428 1.241 1.00 71.14 H new ATOM 0 HG21 ILE A 74 -4.459 9.151 2.748 1.00 63.43 H new ATOM 0 HG22 ILE A 74 -3.598 7.770 3.470 1.00 63.43 H new ATOM 0 HG23 ILE A 74 -4.074 7.725 1.755 1.00 63.43 H new ATOM 0 HD11 ILE A 74 -9.004 8.151 1.999 1.00 24.24 H new ATOM 0 HD12 ILE A 74 -8.487 6.700 2.890 1.00 24.24 H new ATOM 0 HD13 ILE A 74 -8.403 8.299 3.667 1.00 24.24 H new ATOM 1113 N PHE A 75 -3.334 4.972 3.370 1.00 23.31 N ATOM 1114 CA PHE A 75 -2.070 4.567 4.013 1.00 22.35 C ATOM 1115 C PHE A 75 -0.990 5.615 3.729 1.00 33.52 C ATOM 1116 O PHE A 75 -0.446 5.676 2.621 1.00 73.14 O ATOM 1117 CB PHE A 75 -1.624 3.160 3.510 1.00 41.00 C ATOM 1118 CG PHE A 75 -2.421 2.007 4.111 1.00 21.53 C ATOM 1119 CD1 PHE A 75 -3.790 1.870 3.864 1.00 52.12 C ATOM 1120 CD2 PHE A 75 -1.811 1.079 4.957 1.00 71.24 C ATOM 1121 CE1 PHE A 75 -4.511 0.848 4.436 1.00 23.34 C ATOM 1122 CE2 PHE A 75 -2.536 0.062 5.529 1.00 55.30 C ATOM 1123 CZ PHE A 75 -3.882 -0.050 5.270 1.00 45.04 C ATOM 0 H PHE A 75 -3.307 4.899 2.353 1.00 23.31 H new ATOM 0 HA PHE A 75 -2.223 4.502 5.090 1.00 22.35 H new ATOM 0 HB2 PHE A 75 -1.718 3.127 2.425 1.00 41.00 H new ATOM 0 HB3 PHE A 75 -0.569 3.019 3.743 1.00 41.00 H new ATOM 0 HD1 PHE A 75 -4.288 2.576 3.216 1.00 52.12 H new ATOM 0 HD2 PHE A 75 -0.754 1.162 5.165 1.00 71.24 H new ATOM 0 HE1 PHE A 75 -5.567 0.750 4.232 1.00 23.34 H new ATOM 0 HE2 PHE A 75 -2.050 -0.648 6.181 1.00 55.30 H new ATOM 0 HZ PHE A 75 -4.450 -0.848 5.724 1.00 45.04 H new ATOM 1133 N LEU A 76 -0.698 6.460 4.729 1.00 60.22 N ATOM 1134 CA LEU A 76 0.400 7.431 4.640 1.00 14.42 C ATOM 1135 C LEU A 76 1.715 6.702 4.971 1.00 53.31 C ATOM 1136 O LEU A 76 2.080 6.547 6.144 1.00 1.15 O ATOM 1137 CB LEU A 76 0.152 8.620 5.607 1.00 52.34 C ATOM 1138 CG LEU A 76 -1.199 9.381 5.413 1.00 51.51 C ATOM 1139 CD1 LEU A 76 -1.404 10.458 6.500 1.00 1.32 C ATOM 1140 CD2 LEU A 76 -1.298 9.997 4.001 1.00 42.32 C ATOM 0 H LEU A 76 -1.210 6.489 5.611 1.00 60.22 H new ATOM 0 HA LEU A 76 0.460 7.844 3.633 1.00 14.42 H new ATOM 0 HB2 LEU A 76 0.194 8.247 6.630 1.00 52.34 H new ATOM 0 HB3 LEU A 76 0.969 9.333 5.494 1.00 52.34 H new ATOM 0 HG LEU A 76 -2.000 8.649 5.517 1.00 51.51 H new ATOM 0 HD11 LEU A 76 -2.353 10.967 6.334 1.00 1.32 H new ATOM 0 HD12 LEU A 76 -1.413 9.986 7.483 1.00 1.32 H new ATOM 0 HD13 LEU A 76 -0.591 11.182 6.452 1.00 1.32 H new ATOM 0 HD21 LEU A 76 -2.249 10.519 3.898 1.00 42.32 H new ATOM 0 HD22 LEU A 76 -0.479 10.701 3.853 1.00 42.32 H new ATOM 0 HD23 LEU A 76 -1.236 9.206 3.254 1.00 42.32 H new ATOM 1152 N VAL A 77 2.378 6.196 3.926 1.00 50.03 N ATOM 1153 CA VAL A 77 3.651 5.478 4.058 1.00 33.35 C ATOM 1154 C VAL A 77 4.813 6.478 4.130 1.00 21.21 C ATOM 1155 O VAL A 77 5.056 7.227 3.183 1.00 33.22 O ATOM 1156 CB VAL A 77 3.859 4.457 2.879 1.00 52.43 C ATOM 1157 CG1 VAL A 77 5.280 3.829 2.885 1.00 63.12 C ATOM 1158 CG2 VAL A 77 2.763 3.360 2.925 1.00 62.01 C ATOM 0 H VAL A 77 2.047 6.272 2.964 1.00 50.03 H new ATOM 0 HA VAL A 77 3.625 4.903 4.984 1.00 33.35 H new ATOM 0 HB VAL A 77 3.768 5.009 1.944 1.00 52.43 H new ATOM 0 HG11 VAL A 77 5.373 3.132 2.052 1.00 63.12 H new ATOM 0 HG12 VAL A 77 6.026 4.617 2.784 1.00 63.12 H new ATOM 0 HG13 VAL A 77 5.439 3.297 3.823 1.00 63.12 H new ATOM 0 HG21 VAL A 77 2.916 2.658 2.105 1.00 62.01 H new ATOM 0 HG22 VAL A 77 2.821 2.827 3.874 1.00 62.01 H new ATOM 0 HG23 VAL A 77 1.781 3.823 2.828 1.00 62.01 H new ATOM 1168 N SER A 78 5.492 6.507 5.284 1.00 35.55 N ATOM 1169 CA SER A 78 6.695 7.334 5.488 1.00 54.32 C ATOM 1170 C SER A 78 7.940 6.441 5.416 1.00 23.44 C ATOM 1171 O SER A 78 8.194 5.640 6.327 1.00 72.25 O ATOM 1172 CB SER A 78 6.628 8.050 6.856 1.00 11.34 C ATOM 1173 OG SER A 78 7.716 8.945 7.022 1.00 40.02 O ATOM 0 H SER A 78 5.226 5.960 6.103 1.00 35.55 H new ATOM 0 HA SER A 78 6.748 8.093 4.707 1.00 54.32 H new ATOM 0 HB2 SER A 78 5.689 8.597 6.937 1.00 11.34 H new ATOM 0 HB3 SER A 78 6.637 7.311 7.657 1.00 11.34 H new ATOM 0 HG SER A 78 8.178 8.746 7.863 1.00 40.02 H new ATOM 1179 N VAL A 79 8.709 6.556 4.324 1.00 12.52 N ATOM 1180 CA VAL A 79 9.930 5.756 4.138 1.00 23.31 C ATOM 1181 C VAL A 79 11.158 6.553 4.635 1.00 14.02 C ATOM 1182 O VAL A 79 11.579 7.530 4.006 1.00 45.35 O ATOM 1183 CB VAL A 79 10.129 5.322 2.646 1.00 12.40 C ATOM 1184 CG1 VAL A 79 11.291 4.311 2.518 1.00 54.13 C ATOM 1185 CG2 VAL A 79 8.825 4.747 2.039 1.00 51.04 C ATOM 0 H VAL A 79 8.508 7.195 3.555 1.00 12.52 H new ATOM 0 HA VAL A 79 9.823 4.844 4.726 1.00 23.31 H new ATOM 0 HB VAL A 79 10.388 6.214 2.076 1.00 12.40 H new ATOM 0 HG11 VAL A 79 11.410 4.024 1.473 1.00 54.13 H new ATOM 0 HG12 VAL A 79 12.213 4.769 2.876 1.00 54.13 H new ATOM 0 HG13 VAL A 79 11.070 3.426 3.114 1.00 54.13 H new ATOM 0 HG21 VAL A 79 9.003 4.457 1.003 1.00 51.04 H new ATOM 0 HG22 VAL A 79 8.511 3.874 2.611 1.00 51.04 H new ATOM 0 HG23 VAL A 79 8.042 5.505 2.074 1.00 51.04 H new ATOM 1195 N GLU A 80 11.704 6.120 5.773 1.00 73.43 N ATOM 1196 CA GLU A 80 12.811 6.801 6.471 1.00 1.30 C ATOM 1197 C GLU A 80 13.550 5.799 7.383 1.00 62.23 C ATOM 1198 O GLU A 80 13.280 4.593 7.326 1.00 12.25 O ATOM 1199 CB GLU A 80 12.245 7.976 7.319 1.00 3.24 C ATOM 1200 CG GLU A 80 11.284 7.525 8.444 1.00 35.41 C ATOM 1201 CD GLU A 80 10.759 8.685 9.297 1.00 22.45 C ATOM 1202 OE1 GLU A 80 11.567 9.345 9.984 1.00 14.31 O ATOM 1203 OE2 GLU A 80 9.540 8.939 9.300 1.00 3.23 O ATOM 0 H GLU A 80 11.389 5.274 6.248 1.00 73.43 H new ATOM 0 HA GLU A 80 13.514 7.195 5.737 1.00 1.30 H new ATOM 0 HB2 GLU A 80 13.076 8.526 7.762 1.00 3.24 H new ATOM 0 HB3 GLU A 80 11.720 8.668 6.660 1.00 3.24 H new ATOM 0 HG2 GLU A 80 10.439 6.998 8.001 1.00 35.41 H new ATOM 0 HG3 GLU A 80 11.800 6.814 9.089 1.00 35.41 H new ATOM 1210 N GLU A 81 14.486 6.313 8.210 1.00 45.20 N ATOM 1211 CA GLU A 81 15.165 5.537 9.279 1.00 21.43 C ATOM 1212 C GLU A 81 16.018 4.379 8.664 1.00 2.54 C ATOM 1213 O GLU A 81 15.511 3.259 8.518 1.00 21.31 O ATOM 1214 CB GLU A 81 14.111 5.006 10.328 1.00 10.04 C ATOM 1215 CG GLU A 81 14.643 4.776 11.761 1.00 20.24 C ATOM 1216 CD GLU A 81 14.900 6.096 12.507 1.00 72.24 C ATOM 1217 OE1 GLU A 81 13.953 6.638 13.112 1.00 64.52 O ATOM 1218 OE2 GLU A 81 16.034 6.615 12.467 1.00 14.24 O ATOM 0 H GLU A 81 14.796 7.283 8.157 1.00 45.20 H new ATOM 0 HA GLU A 81 15.852 6.194 9.811 1.00 21.43 H new ATOM 0 HB2 GLU A 81 13.286 5.717 10.377 1.00 10.04 H new ATOM 0 HB3 GLU A 81 13.701 4.066 9.958 1.00 10.04 H new ATOM 0 HG2 GLU A 81 13.924 4.178 12.322 1.00 20.24 H new ATOM 0 HG3 GLU A 81 15.568 4.201 11.715 1.00 20.24 H new ATOM 1225 N PRO A 82 17.300 4.655 8.221 1.00 53.54 N ATOM 1226 CA PRO A 82 18.163 3.647 7.518 1.00 71.34 C ATOM 1227 C PRO A 82 18.559 2.414 8.404 1.00 22.34 C ATOM 1228 O PRO A 82 17.867 1.374 8.342 1.00 36.74 O ATOM 1229 CB PRO A 82 19.408 4.487 7.067 1.00 13.11 C ATOM 1230 CG PRO A 82 18.970 5.920 7.179 1.00 13.03 C ATOM 1231 CD PRO A 82 18.002 5.956 8.340 1.00 2.22 C ATOM 1232 OXT PRO A 82 19.550 2.495 9.170 1.00 36.74 O ATOM 0 HA PRO A 82 17.637 3.177 6.687 1.00 71.34 H new ATOM 0 HB2 PRO A 82 20.271 4.287 7.703 1.00 13.11 H new ATOM 0 HB3 PRO A 82 19.701 4.242 6.046 1.00 13.11 H new ATOM 0 HG2 PRO A 82 19.821 6.578 7.357 1.00 13.03 H new ATOM 0 HG3 PRO A 82 18.493 6.258 6.259 1.00 13.03 H new ATOM 0 HD2 PRO A 82 18.519 6.051 9.295 1.00 2.22 H new ATOM 0 HD3 PRO A 82 17.312 6.797 8.266 1.00 2.22 H new