USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 1.22 (180deg=0.594) USER MOD Single : A 2 THR OG1 : rot -130:sc= -0.353 USER MOD Single : A 6 SER OG : rot 160:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 26:sc= -0.146 USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= 1.05 (180deg=-0.535) USER MOD Single : A 36 SER OG : rot 51:sc= 0.175 USER MOD Single : A 37 GLN :FLIP amide:sc= 0.477 F(o=-0.036,f=0.48) USER MOD Single : A 41 GLN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.477 K(o=-0.48,f=-4.7!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 1:sc= 0.663 USER MOD Single : A 66 CYS SG : rot -52:sc= -3.68 USER MOD Single : A 70 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 72 SER OG : rot 35:sc= 0.234 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.986 8.115 10.012 1.00 73.44 N ATOM 2 CA MET A 1 -4.982 7.171 8.861 1.00 30.43 C ATOM 3 C MET A 1 -4.213 5.879 9.208 1.00 63.41 C ATOM 4 O MET A 1 -3.448 5.843 10.177 1.00 40.23 O ATOM 5 CB MET A 1 -4.368 7.841 7.601 1.00 63.41 C ATOM 6 CG MET A 1 -5.166 9.032 7.050 1.00 73.24 C ATOM 7 SD MET A 1 -5.274 10.414 8.208 1.00 72.12 S ATOM 8 CE MET A 1 -6.224 11.608 7.254 1.00 44.24 C ATOM 0 H1 MET A 1 -4.820 9.082 9.668 1.00 73.44 H new ATOM 0 H2 MET A 1 -5.907 8.072 10.493 1.00 73.44 H new ATOM 0 H3 MET A 1 -4.234 7.851 10.680 1.00 73.44 H new ATOM 0 HA MET A 1 -6.017 6.906 8.644 1.00 30.43 H new ATOM 0 HB2 MET A 1 -3.359 8.178 7.841 1.00 63.41 H new ATOM 0 HB3 MET A 1 -4.275 7.090 6.816 1.00 63.41 H new ATOM 0 HG2 MET A 1 -4.701 9.376 6.126 1.00 73.24 H new ATOM 0 HG3 MET A 1 -6.173 8.700 6.796 1.00 73.24 H new ATOM 0 HE1 MET A 1 -6.368 12.513 7.844 1.00 44.24 H new ATOM 0 HE2 MET A 1 -5.685 11.854 6.339 1.00 44.24 H new ATOM 0 HE3 MET A 1 -7.195 11.182 7.000 1.00 44.24 H new ATOM 18 N THR A 2 -4.428 4.825 8.402 1.00 52.20 N ATOM 19 CA THR A 2 -3.771 3.504 8.571 1.00 33.24 C ATOM 20 C THR A 2 -2.296 3.586 8.090 1.00 15.35 C ATOM 21 O THR A 2 -1.945 3.198 6.977 1.00 61.24 O ATOM 22 CB THR A 2 -4.587 2.409 7.800 1.00 2.34 C ATOM 23 OG1 THR A 2 -5.974 2.592 8.083 1.00 22.13 O ATOM 24 CG2 THR A 2 -4.223 0.971 8.195 1.00 30.43 C ATOM 0 H THR A 2 -5.066 4.859 7.607 1.00 52.20 H new ATOM 0 HA THR A 2 -3.756 3.223 9.624 1.00 33.24 H new ATOM 0 HB THR A 2 -4.348 2.532 6.744 1.00 2.34 H new ATOM 0 HG1 THR A 2 -6.368 1.737 8.355 1.00 22.13 H new ATOM 0 HG21 THR A 2 -4.829 0.271 7.620 1.00 30.43 H new ATOM 0 HG22 THR A 2 -3.168 0.793 7.988 1.00 30.43 H new ATOM 0 HG23 THR A 2 -4.413 0.827 9.258 1.00 30.43 H new ATOM 32 N ARG A 3 -1.455 4.148 8.969 1.00 1.02 N ATOM 33 CA ARG A 3 -0.105 4.650 8.639 1.00 53.44 C ATOM 34 C ARG A 3 0.990 3.569 8.868 1.00 35.44 C ATOM 35 O ARG A 3 1.043 2.945 9.932 1.00 54.44 O ATOM 36 CB ARG A 3 0.124 5.927 9.518 1.00 1.13 C ATOM 37 CG ARG A 3 1.399 6.774 9.237 1.00 53.25 C ATOM 38 CD ARG A 3 2.677 6.241 9.919 1.00 14.11 C ATOM 39 NE ARG A 3 2.515 6.143 11.383 1.00 42.03 N ATOM 40 CZ ARG A 3 3.414 6.457 12.287 1.00 73.33 C ATOM 41 NH1 ARG A 3 4.569 6.939 11.957 1.00 21.31 N ATOM 42 NH2 ARG A 3 3.132 6.300 13.538 1.00 63.30 N ATOM 0 H ARG A 3 -1.695 4.271 9.953 1.00 1.02 H new ATOM 0 HA ARG A 3 -0.033 4.900 7.580 1.00 53.44 H new ATOM 0 HB2 ARG A 3 -0.744 6.576 9.400 1.00 1.13 H new ATOM 0 HB3 ARG A 3 0.150 5.616 10.562 1.00 1.13 H new ATOM 0 HG2 ARG A 3 1.565 6.814 8.160 1.00 53.25 H new ATOM 0 HG3 ARG A 3 1.223 7.797 9.570 1.00 53.25 H new ATOM 0 HD2 ARG A 3 2.923 5.260 9.514 1.00 14.11 H new ATOM 0 HD3 ARG A 3 3.514 6.900 9.689 1.00 14.11 H new ATOM 0 HE ARG A 3 1.618 5.798 11.725 1.00 42.03 H new ATOM 0 HH11 ARG A 3 4.799 7.083 10.974 1.00 21.31 H new ATOM 0 HH12 ARG A 3 5.249 7.174 12.680 1.00 21.31 H new ATOM 0 HH21 ARG A 3 2.220 5.936 13.813 1.00 63.30 H new ATOM 0 HH22 ARG A 3 3.822 6.540 14.250 1.00 63.30 H new ATOM 56 N VAL A 4 1.883 3.379 7.863 1.00 22.23 N ATOM 57 CA VAL A 4 3.034 2.436 7.943 1.00 72.42 C ATOM 58 C VAL A 4 4.377 3.188 7.721 1.00 42.51 C ATOM 59 O VAL A 4 4.546 3.907 6.731 1.00 41.20 O ATOM 60 CB VAL A 4 2.914 1.267 6.887 1.00 53.43 C ATOM 61 CG1 VAL A 4 4.151 0.318 6.932 1.00 1.13 C ATOM 62 CG2 VAL A 4 1.602 0.456 7.071 1.00 64.32 C ATOM 0 H VAL A 4 1.827 3.874 6.973 1.00 22.23 H new ATOM 0 HA VAL A 4 3.016 2.001 8.942 1.00 72.42 H new ATOM 0 HB VAL A 4 2.885 1.738 5.904 1.00 53.43 H new ATOM 0 HG11 VAL A 4 4.030 -0.472 6.191 1.00 1.13 H new ATOM 0 HG12 VAL A 4 5.054 0.887 6.712 1.00 1.13 H new ATOM 0 HG13 VAL A 4 4.234 -0.125 7.925 1.00 1.13 H new ATOM 0 HG21 VAL A 4 1.558 -0.338 6.326 1.00 64.32 H new ATOM 0 HG22 VAL A 4 1.582 0.019 8.069 1.00 64.32 H new ATOM 0 HG23 VAL A 4 0.745 1.118 6.947 1.00 64.32 H new ATOM 72 N ARG A 5 5.318 3.010 8.660 1.00 12.42 N ATOM 73 CA ARG A 5 6.718 3.474 8.520 1.00 32.20 C ATOM 74 C ARG A 5 7.599 2.332 7.938 1.00 11.44 C ATOM 75 O ARG A 5 7.416 1.166 8.295 1.00 13.15 O ATOM 76 CB ARG A 5 7.263 3.912 9.905 1.00 25.22 C ATOM 77 CG ARG A 5 8.717 4.452 9.901 1.00 3.21 C ATOM 78 CD ARG A 5 9.286 4.615 11.321 1.00 35.11 C ATOM 79 NE ARG A 5 9.288 3.329 12.053 1.00 3.41 N ATOM 80 CZ ARG A 5 9.153 3.177 13.356 1.00 74.42 C ATOM 81 NH1 ARG A 5 9.014 4.194 14.148 1.00 73.13 N ATOM 82 NH2 ARG A 5 9.149 1.986 13.851 1.00 62.21 N ATOM 0 H ARG A 5 5.134 2.538 9.545 1.00 12.42 H new ATOM 0 HA ARG A 5 6.748 4.324 7.839 1.00 32.20 H new ATOM 0 HB2 ARG A 5 6.607 4.683 10.309 1.00 25.22 H new ATOM 0 HB3 ARG A 5 7.210 3.061 10.584 1.00 25.22 H new ATOM 0 HG2 ARG A 5 9.353 3.772 9.334 1.00 3.21 H new ATOM 0 HG3 ARG A 5 8.743 5.414 9.389 1.00 3.21 H new ATOM 0 HD2 ARG A 5 10.302 5.005 11.265 1.00 35.11 H new ATOM 0 HD3 ARG A 5 8.694 5.347 11.870 1.00 35.11 H new ATOM 0 HE ARG A 5 9.405 2.481 11.498 1.00 3.41 H new ATOM 0 HH11 ARG A 5 9.007 5.140 13.767 1.00 73.13 H new ATOM 0 HH12 ARG A 5 8.911 4.048 15.152 1.00 73.13 H new ATOM 0 HH21 ARG A 5 9.249 1.178 13.237 1.00 62.21 H new ATOM 0 HH22 ARG A 5 9.045 1.852 14.857 1.00 62.21 H new ATOM 96 N SER A 6 8.569 2.682 7.071 1.00 60.31 N ATOM 97 CA SER A 6 9.467 1.704 6.400 1.00 33.32 C ATOM 98 C SER A 6 10.925 2.209 6.391 1.00 45.52 C ATOM 99 O SER A 6 11.174 3.401 6.560 1.00 51.24 O ATOM 100 CB SER A 6 8.992 1.471 4.947 1.00 2.03 C ATOM 101 OG SER A 6 9.785 0.500 4.268 1.00 2.43 O ATOM 0 H SER A 6 8.757 3.650 6.812 1.00 60.31 H new ATOM 0 HA SER A 6 9.429 0.767 6.956 1.00 33.32 H new ATOM 0 HB2 SER A 6 7.952 1.146 4.955 1.00 2.03 H new ATOM 0 HB3 SER A 6 9.028 2.413 4.400 1.00 2.03 H new ATOM 0 HG SER A 6 9.286 0.149 3.501 1.00 2.43 H new ATOM 107 N THR A 7 11.875 1.280 6.200 1.00 44.03 N ATOM 108 CA THR A 7 13.308 1.600 5.988 1.00 74.15 C ATOM 109 C THR A 7 13.656 1.632 4.478 1.00 53.41 C ATOM 110 O THR A 7 13.042 0.911 3.682 1.00 42.15 O ATOM 111 CB THR A 7 14.249 0.565 6.717 1.00 55.14 C ATOM 112 OG1 THR A 7 13.676 -0.758 6.674 1.00 55.51 O ATOM 113 CG2 THR A 7 14.533 0.981 8.168 1.00 52.13 C ATOM 0 H THR A 7 11.677 0.280 6.187 1.00 44.03 H new ATOM 0 HA THR A 7 13.476 2.588 6.417 1.00 74.15 H new ATOM 0 HB THR A 7 15.200 0.554 6.185 1.00 55.14 H new ATOM 0 HG1 THR A 7 14.273 -1.388 7.129 1.00 55.51 H new ATOM 0 HG21 THR A 7 15.184 0.244 8.637 1.00 52.13 H new ATOM 0 HG22 THR A 7 15.022 1.955 8.178 1.00 52.13 H new ATOM 0 HG23 THR A 7 13.595 1.040 8.720 1.00 52.13 H new ATOM 121 N PRO A 8 14.643 2.497 4.063 1.00 62.11 N ATOM 122 CA PRO A 8 15.162 2.529 2.672 1.00 32.40 C ATOM 123 C PRO A 8 16.064 1.302 2.331 1.00 62.24 C ATOM 124 O PRO A 8 16.997 0.974 3.076 1.00 54.43 O ATOM 125 CB PRO A 8 15.929 3.871 2.631 1.00 65.34 C ATOM 126 CG PRO A 8 16.414 4.052 4.025 1.00 53.52 C ATOM 127 CD PRO A 8 15.303 3.533 4.909 1.00 34.32 C ATOM 0 HA PRO A 8 14.375 2.464 1.921 1.00 32.40 H new ATOM 0 HB2 PRO A 8 16.756 3.836 1.922 1.00 65.34 H new ATOM 0 HB3 PRO A 8 15.281 4.692 2.324 1.00 65.34 H new ATOM 0 HG2 PRO A 8 17.339 3.501 4.193 1.00 53.52 H new ATOM 0 HG3 PRO A 8 16.625 5.101 4.234 1.00 53.52 H new ATOM 0 HD2 PRO A 8 15.691 3.108 5.835 1.00 34.32 H new ATOM 0 HD3 PRO A 8 14.609 4.325 5.189 1.00 34.32 H new ATOM 135 N GLY A 9 15.752 0.611 1.205 1.00 50.42 N ATOM 136 CA GLY A 9 16.535 -0.544 0.739 1.00 31.32 C ATOM 137 C GLY A 9 16.038 -1.879 1.308 1.00 63.14 C ATOM 138 O GLY A 9 16.741 -2.532 2.092 1.00 55.51 O ATOM 0 H GLY A 9 14.959 0.841 0.606 1.00 50.42 H new ATOM 0 HA2 GLY A 9 16.499 -0.584 -0.350 1.00 31.32 H new ATOM 0 HA3 GLY A 9 17.579 -0.404 1.018 1.00 31.32 H new ATOM 142 N GLY A 10 14.812 -2.275 0.912 1.00 55.44 N ATOM 143 CA GLY A 10 14.220 -3.553 1.340 1.00 51.04 C ATOM 144 C GLY A 10 12.897 -3.881 0.632 1.00 2.41 C ATOM 145 O GLY A 10 12.873 -4.076 -0.583 1.00 22.12 O ATOM 0 H GLY A 10 14.214 -1.725 0.295 1.00 55.44 H new ATOM 0 HA2 GLY A 10 14.933 -4.356 1.152 1.00 51.04 H new ATOM 0 HA3 GLY A 10 14.050 -3.524 2.416 1.00 51.04 H new ATOM 149 N ASP A 11 11.798 -3.941 1.405 1.00 1.03 N ATOM 150 CA ASP A 11 10.444 -4.281 0.900 1.00 34.15 C ATOM 151 C ASP A 11 9.380 -3.466 1.670 1.00 40.10 C ATOM 152 O ASP A 11 9.416 -3.404 2.901 1.00 73.34 O ATOM 153 CB ASP A 11 10.195 -5.809 1.055 1.00 45.43 C ATOM 154 CG ASP A 11 8.778 -6.262 0.646 1.00 13.13 C ATOM 155 OD1 ASP A 11 8.534 -6.524 -0.553 1.00 1.13 O ATOM 156 OD2 ASP A 11 7.901 -6.378 1.532 1.00 64.33 O ATOM 0 H ASP A 11 11.819 -3.754 2.408 1.00 1.03 H new ATOM 0 HA ASP A 11 10.372 -4.026 -0.157 1.00 34.15 H new ATOM 0 HB2 ASP A 11 10.925 -6.348 0.452 1.00 45.43 H new ATOM 0 HB3 ASP A 11 10.369 -6.091 2.093 1.00 45.43 H new ATOM 161 N LEU A 12 8.449 -2.830 0.945 1.00 3.44 N ATOM 162 CA LEU A 12 7.344 -2.056 1.552 1.00 52.42 C ATOM 163 C LEU A 12 6.070 -2.924 1.632 1.00 41.53 C ATOM 164 O LEU A 12 5.381 -3.085 0.632 1.00 2.23 O ATOM 165 CB LEU A 12 7.065 -0.766 0.727 1.00 5.32 C ATOM 166 CG LEU A 12 5.887 0.121 1.246 1.00 52.44 C ATOM 167 CD1 LEU A 12 6.159 0.632 2.678 1.00 74.43 C ATOM 168 CD2 LEU A 12 5.581 1.279 0.271 1.00 42.30 C ATOM 0 H LEU A 12 8.436 -2.834 -0.075 1.00 3.44 H new ATOM 0 HA LEU A 12 7.636 -1.765 2.561 1.00 52.42 H new ATOM 0 HB2 LEU A 12 7.972 -0.162 0.711 1.00 5.32 H new ATOM 0 HB3 LEU A 12 6.855 -1.053 -0.303 1.00 5.32 H new ATOM 0 HG LEU A 12 4.995 -0.505 1.290 1.00 52.44 H new ATOM 0 HD11 LEU A 12 5.322 1.246 3.010 1.00 74.43 H new ATOM 0 HD12 LEU A 12 6.276 -0.217 3.351 1.00 74.43 H new ATOM 0 HD13 LEU A 12 7.071 1.229 2.684 1.00 74.43 H new ATOM 0 HD21 LEU A 12 4.757 1.876 0.662 1.00 42.30 H new ATOM 0 HD22 LEU A 12 6.465 1.907 0.163 1.00 42.30 H new ATOM 0 HD23 LEU A 12 5.305 0.872 -0.702 1.00 42.30 H new ATOM 180 N GLU A 13 5.759 -3.464 2.827 1.00 43.11 N ATOM 181 CA GLU A 13 4.606 -4.370 3.024 1.00 43.25 C ATOM 182 C GLU A 13 3.470 -3.637 3.770 1.00 61.54 C ATOM 183 O GLU A 13 3.614 -3.284 4.945 1.00 3.13 O ATOM 184 CB GLU A 13 5.030 -5.653 3.801 1.00 74.25 C ATOM 185 CG GLU A 13 3.879 -6.663 4.004 1.00 53.31 C ATOM 186 CD GLU A 13 4.294 -7.967 4.707 1.00 31.03 C ATOM 187 OE1 GLU A 13 4.986 -8.796 4.080 1.00 42.32 O ATOM 188 OE2 GLU A 13 3.918 -8.180 5.886 1.00 25.52 O ATOM 0 H GLU A 13 6.294 -3.288 3.677 1.00 43.11 H new ATOM 0 HA GLU A 13 4.241 -4.675 2.043 1.00 43.25 H new ATOM 0 HB2 GLU A 13 5.841 -6.143 3.262 1.00 74.25 H new ATOM 0 HB3 GLU A 13 5.424 -5.364 4.775 1.00 74.25 H new ATOM 0 HG2 GLU A 13 3.091 -6.185 4.587 1.00 53.31 H new ATOM 0 HG3 GLU A 13 3.452 -6.909 3.032 1.00 53.31 H new ATOM 195 N LEU A 14 2.351 -3.397 3.067 1.00 64.12 N ATOM 196 CA LEU A 14 1.161 -2.734 3.621 1.00 23.34 C ATOM 197 C LEU A 14 0.033 -3.764 3.799 1.00 3.21 C ATOM 198 O LEU A 14 -0.598 -4.175 2.821 1.00 21.52 O ATOM 199 CB LEU A 14 0.686 -1.595 2.675 1.00 54.12 C ATOM 200 CG LEU A 14 1.750 -0.537 2.255 1.00 60.23 C ATOM 201 CD1 LEU A 14 1.106 0.587 1.425 1.00 42.25 C ATOM 202 CD2 LEU A 14 2.501 0.031 3.470 1.00 12.42 C ATOM 0 H LEU A 14 2.247 -3.661 2.087 1.00 64.12 H new ATOM 0 HA LEU A 14 1.417 -2.302 4.589 1.00 23.34 H new ATOM 0 HB2 LEU A 14 0.285 -2.051 1.770 1.00 54.12 H new ATOM 0 HB3 LEU A 14 -0.138 -1.073 3.160 1.00 54.12 H new ATOM 0 HG LEU A 14 2.486 -1.043 1.630 1.00 60.23 H new ATOM 0 HD11 LEU A 14 1.868 1.314 1.143 1.00 42.25 H new ATOM 0 HD12 LEU A 14 0.658 0.164 0.526 1.00 42.25 H new ATOM 0 HD13 LEU A 14 0.335 1.081 2.017 1.00 42.25 H new ATOM 0 HD21 LEU A 14 3.234 0.765 3.134 1.00 12.42 H new ATOM 0 HD22 LEU A 14 1.791 0.509 4.145 1.00 12.42 H new ATOM 0 HD23 LEU A 14 3.011 -0.778 3.993 1.00 12.42 H new ATOM 214 N VAL A 15 -0.198 -4.179 5.046 1.00 4.22 N ATOM 215 CA VAL A 15 -1.304 -5.082 5.411 1.00 32.31 C ATOM 216 C VAL A 15 -2.541 -4.246 5.791 1.00 1.03 C ATOM 217 O VAL A 15 -2.420 -3.269 6.537 1.00 31.14 O ATOM 218 CB VAL A 15 -0.884 -6.024 6.604 1.00 13.55 C ATOM 219 CG1 VAL A 15 -2.078 -6.866 7.129 1.00 41.32 C ATOM 220 CG2 VAL A 15 0.304 -6.935 6.185 1.00 63.12 C ATOM 0 H VAL A 15 0.378 -3.899 5.840 1.00 4.22 H new ATOM 0 HA VAL A 15 -1.546 -5.713 4.556 1.00 32.31 H new ATOM 0 HB VAL A 15 -0.559 -5.388 7.428 1.00 13.55 H new ATOM 0 HG11 VAL A 15 -1.743 -7.500 7.950 1.00 41.32 H new ATOM 0 HG12 VAL A 15 -2.865 -6.200 7.483 1.00 41.32 H new ATOM 0 HG13 VAL A 15 -2.465 -7.490 6.323 1.00 41.32 H new ATOM 0 HG21 VAL A 15 0.581 -7.579 7.020 1.00 63.12 H new ATOM 0 HG22 VAL A 15 0.009 -7.550 5.335 1.00 63.12 H new ATOM 0 HG23 VAL A 15 1.156 -6.316 5.906 1.00 63.12 H new ATOM 230 N VAL A 16 -3.722 -4.626 5.273 1.00 43.13 N ATOM 231 CA VAL A 16 -4.986 -3.913 5.558 1.00 40.33 C ATOM 232 C VAL A 16 -5.807 -4.624 6.656 1.00 53.11 C ATOM 233 O VAL A 16 -5.846 -5.853 6.731 1.00 72.20 O ATOM 234 CB VAL A 16 -5.889 -3.775 4.276 1.00 72.04 C ATOM 235 CG1 VAL A 16 -7.135 -2.928 4.555 1.00 1.32 C ATOM 236 CG2 VAL A 16 -5.120 -3.179 3.102 1.00 62.43 C ATOM 0 H VAL A 16 -3.831 -5.427 4.651 1.00 43.13 H new ATOM 0 HA VAL A 16 -4.695 -2.920 5.902 1.00 40.33 H new ATOM 0 HB VAL A 16 -6.201 -4.785 4.009 1.00 72.04 H new ATOM 0 HG11 VAL A 16 -7.735 -2.854 3.648 1.00 1.32 H new ATOM 0 HG12 VAL A 16 -7.725 -3.397 5.343 1.00 1.32 H new ATOM 0 HG13 VAL A 16 -6.833 -1.930 4.873 1.00 1.32 H new ATOM 0 HG21 VAL A 16 -5.779 -3.101 2.237 1.00 62.43 H new ATOM 0 HG22 VAL A 16 -4.756 -2.188 3.371 1.00 62.43 H new ATOM 0 HG23 VAL A 16 -4.275 -3.822 2.857 1.00 62.43 H new ATOM 246 N HIS A 17 -6.428 -3.814 7.530 1.00 64.21 N ATOM 247 CA HIS A 17 -7.476 -4.264 8.466 1.00 33.02 C ATOM 248 C HIS A 17 -8.847 -3.644 8.099 1.00 75.34 C ATOM 249 O HIS A 17 -9.884 -4.298 8.276 1.00 11.41 O ATOM 250 CB HIS A 17 -7.084 -3.925 9.927 1.00 12.15 C ATOM 251 CG HIS A 17 -5.882 -4.690 10.420 1.00 2.51 C ATOM 252 ND1 HIS A 17 -5.837 -6.065 10.439 1.00 4.50 N ATOM 253 CD2 HIS A 17 -4.683 -4.276 10.902 1.00 1.41 C ATOM 254 CE1 HIS A 17 -4.671 -6.464 10.897 1.00 44.52 C ATOM 255 NE2 HIS A 17 -3.953 -5.401 11.188 1.00 43.33 N ATOM 0 H HIS A 17 -6.216 -2.819 7.608 1.00 64.21 H new ATOM 0 HA HIS A 17 -7.567 -5.347 8.383 1.00 33.02 H new ATOM 0 HB2 HIS A 17 -6.881 -2.857 10.002 1.00 12.15 H new ATOM 0 HB3 HIS A 17 -7.931 -4.135 10.580 1.00 12.15 H new ATOM 0 HD2 HIS A 17 -4.364 -3.253 11.035 1.00 1.41 H new ATOM 0 HE1 HIS A 17 -4.356 -7.490 11.014 1.00 44.52 H new ATOM 0 HE2 HIS A 17 -3.006 -5.412 11.566 1.00 43.33 H new ATOM 264 N LEU A 18 -8.836 -2.373 7.596 1.00 55.13 N ATOM 265 CA LEU A 18 -10.068 -1.645 7.130 1.00 55.32 C ATOM 266 C LEU A 18 -11.096 -1.388 8.273 1.00 61.15 C ATOM 267 O LEU A 18 -10.884 -1.765 9.434 1.00 41.33 O ATOM 268 CB LEU A 18 -10.753 -2.425 5.938 1.00 2.22 C ATOM 269 CG LEU A 18 -10.436 -1.950 4.483 1.00 51.14 C ATOM 270 CD1 LEU A 18 -11.016 -2.919 3.431 1.00 10.13 C ATOM 271 CD2 LEU A 18 -10.919 -0.513 4.238 1.00 15.40 C ATOM 0 H LEU A 18 -7.982 -1.824 7.501 1.00 55.13 H new ATOM 0 HA LEU A 18 -9.738 -0.666 6.782 1.00 55.32 H new ATOM 0 HB2 LEU A 18 -10.470 -3.475 6.017 1.00 2.22 H new ATOM 0 HB3 LEU A 18 -11.833 -2.374 6.080 1.00 2.22 H new ATOM 0 HG LEU A 18 -9.351 -1.955 4.374 1.00 51.14 H new ATOM 0 HD11 LEU A 18 -10.776 -2.557 2.431 1.00 10.13 H new ATOM 0 HD12 LEU A 18 -10.584 -3.910 3.571 1.00 10.13 H new ATOM 0 HD13 LEU A 18 -12.098 -2.976 3.546 1.00 10.13 H new ATOM 0 HD21 LEU A 18 -10.681 -0.218 3.216 1.00 15.40 H new ATOM 0 HD22 LEU A 18 -11.997 -0.461 4.389 1.00 15.40 H new ATOM 0 HD23 LEU A 18 -10.422 0.162 4.935 1.00 15.40 H new ATOM 283 N SER A 19 -12.200 -0.706 7.929 1.00 13.12 N ATOM 284 CA SER A 19 -13.416 -0.662 8.778 1.00 61.43 C ATOM 285 C SER A 19 -14.499 -1.605 8.206 1.00 44.43 C ATOM 286 O SER A 19 -15.369 -2.088 8.941 1.00 74.44 O ATOM 287 CB SER A 19 -13.954 0.781 8.883 1.00 24.11 C ATOM 288 OG SER A 19 -15.151 0.842 9.646 1.00 74.32 O ATOM 0 H SER A 19 -12.282 -0.172 7.064 1.00 13.12 H new ATOM 0 HA SER A 19 -13.153 -1.000 9.780 1.00 61.43 H new ATOM 0 HB2 SER A 19 -13.198 1.419 9.341 1.00 24.11 H new ATOM 0 HB3 SER A 19 -14.139 1.174 7.883 1.00 24.11 H new ATOM 0 HG SER A 19 -15.462 1.770 9.693 1.00 74.32 H new ATOM 294 N GLY A 20 -14.423 -1.871 6.884 1.00 1.53 N ATOM 295 CA GLY A 20 -15.372 -2.758 6.195 1.00 74.23 C ATOM 296 C GLY A 20 -14.683 -3.941 5.483 1.00 24.32 C ATOM 297 O GLY A 20 -14.101 -3.753 4.414 1.00 75.15 O ATOM 0 H GLY A 20 -13.707 -1.478 6.273 1.00 1.53 H new ATOM 0 HA2 GLY A 20 -16.090 -3.145 6.918 1.00 74.23 H new ATOM 0 HA3 GLY A 20 -15.936 -2.179 5.464 1.00 74.23 H new ATOM 301 N PRO A 21 -14.730 -5.188 6.049 1.00 54.25 N ATOM 302 CA PRO A 21 -14.061 -6.374 5.445 1.00 12.10 C ATOM 303 C PRO A 21 -14.854 -6.991 4.251 1.00 43.02 C ATOM 304 O PRO A 21 -15.857 -7.686 4.447 1.00 52.45 O ATOM 305 CB PRO A 21 -13.966 -7.344 6.650 1.00 25.20 C ATOM 306 CG PRO A 21 -15.180 -7.029 7.485 1.00 61.33 C ATOM 307 CD PRO A 21 -15.428 -5.536 7.321 1.00 52.42 C ATOM 0 HA PRO A 21 -13.098 -6.132 4.996 1.00 12.10 H new ATOM 0 HB2 PRO A 21 -13.968 -8.384 6.323 1.00 25.20 H new ATOM 0 HB3 PRO A 21 -13.046 -7.188 7.213 1.00 25.20 H new ATOM 0 HG2 PRO A 21 -16.043 -7.606 7.152 1.00 61.33 H new ATOM 0 HG3 PRO A 21 -15.010 -7.283 8.531 1.00 61.33 H new ATOM 0 HD2 PRO A 21 -16.493 -5.313 7.265 1.00 52.42 H new ATOM 0 HD3 PRO A 21 -15.028 -4.971 8.163 1.00 52.42 H new ATOM 315 N GLY A 22 -14.405 -6.705 3.009 1.00 21.51 N ATOM 316 CA GLY A 22 -15.038 -7.280 1.813 1.00 34.32 C ATOM 317 C GLY A 22 -14.413 -6.811 0.493 1.00 11.14 C ATOM 318 O GLY A 22 -14.222 -5.610 0.290 1.00 62.03 O ATOM 0 H GLY A 22 -13.617 -6.087 2.815 1.00 21.51 H new ATOM 0 HA2 GLY A 22 -14.975 -8.367 1.868 1.00 34.32 H new ATOM 0 HA3 GLY A 22 -16.097 -7.021 1.814 1.00 34.32 H new ATOM 322 N GLY A 23 -14.110 -7.772 -0.408 1.00 2.02 N ATOM 323 CA GLY A 23 -13.572 -7.474 -1.748 1.00 34.21 C ATOM 324 C GLY A 23 -14.661 -7.112 -2.786 1.00 53.03 C ATOM 325 O GLY A 23 -15.851 -7.298 -2.509 1.00 24.41 O ATOM 0 H GLY A 23 -14.232 -8.768 -0.226 1.00 2.02 H new ATOM 0 HA2 GLY A 23 -12.866 -6.647 -1.671 1.00 34.21 H new ATOM 0 HA3 GLY A 23 -13.013 -8.338 -2.107 1.00 34.21 H new ATOM 329 N PRO A 24 -14.301 -6.610 -4.019 1.00 1.35 N ATOM 330 CA PRO A 24 -12.901 -6.404 -4.481 1.00 20.23 C ATOM 331 C PRO A 24 -12.275 -5.083 -3.950 1.00 32.32 C ATOM 332 O PRO A 24 -12.747 -3.985 -4.269 1.00 11.03 O ATOM 333 CB PRO A 24 -13.035 -6.384 -6.043 1.00 31.14 C ATOM 334 CG PRO A 24 -14.505 -6.597 -6.339 1.00 52.03 C ATOM 335 CD PRO A 24 -15.253 -6.216 -5.081 1.00 63.20 C ATOM 0 HA PRO A 24 -12.232 -7.181 -4.111 1.00 20.23 H new ATOM 0 HB2 PRO A 24 -12.688 -5.435 -6.452 1.00 31.14 H new ATOM 0 HB3 PRO A 24 -12.428 -7.168 -6.497 1.00 31.14 H new ATOM 0 HG2 PRO A 24 -14.824 -5.984 -7.182 1.00 52.03 H new ATOM 0 HG3 PRO A 24 -14.701 -7.635 -6.608 1.00 52.03 H new ATOM 0 HD2 PRO A 24 -15.480 -5.150 -5.049 1.00 63.20 H new ATOM 0 HD3 PRO A 24 -16.201 -6.746 -4.995 1.00 63.20 H new ATOM 343 N VAL A 25 -11.226 -5.210 -3.118 1.00 53.32 N ATOM 344 CA VAL A 25 -10.486 -4.055 -2.577 1.00 53.53 C ATOM 345 C VAL A 25 -9.276 -3.728 -3.488 1.00 74.24 C ATOM 346 O VAL A 25 -8.378 -4.566 -3.661 1.00 30.44 O ATOM 347 CB VAL A 25 -9.969 -4.314 -1.120 1.00 12.41 C ATOM 348 CG1 VAL A 25 -9.409 -3.013 -0.491 1.00 21.52 C ATOM 349 CG2 VAL A 25 -11.055 -4.960 -0.224 1.00 34.32 C ATOM 0 H VAL A 25 -10.868 -6.112 -2.803 1.00 53.32 H new ATOM 0 HA VAL A 25 -11.180 -3.215 -2.548 1.00 53.53 H new ATOM 0 HB VAL A 25 -9.151 -5.032 -1.187 1.00 12.41 H new ATOM 0 HG11 VAL A 25 -9.057 -3.220 0.520 1.00 21.52 H new ATOM 0 HG12 VAL A 25 -8.580 -2.644 -1.096 1.00 21.52 H new ATOM 0 HG13 VAL A 25 -10.195 -2.259 -0.454 1.00 21.52 H new ATOM 0 HG21 VAL A 25 -10.653 -5.121 0.776 1.00 34.32 H new ATOM 0 HG22 VAL A 25 -11.919 -4.298 -0.165 1.00 34.32 H new ATOM 0 HG23 VAL A 25 -11.358 -5.916 -0.652 1.00 34.32 H new ATOM 359 N ARG A 26 -9.263 -2.513 -4.056 1.00 53.02 N ATOM 360 CA ARG A 26 -8.210 -2.059 -4.987 1.00 10.01 C ATOM 361 C ARG A 26 -7.168 -1.162 -4.281 1.00 22.41 C ATOM 362 O ARG A 26 -7.495 -0.399 -3.364 1.00 40.15 O ATOM 363 CB ARG A 26 -8.852 -1.285 -6.162 1.00 45.15 C ATOM 364 CG ARG A 26 -9.865 -2.106 -6.989 1.00 62.11 C ATOM 365 CD ARG A 26 -10.361 -1.343 -8.230 1.00 23.31 C ATOM 366 NE ARG A 26 -9.269 -1.100 -9.192 1.00 64.23 N ATOM 367 CZ ARG A 26 -9.227 -0.133 -10.076 1.00 51.11 C ATOM 368 NH1 ARG A 26 -10.157 0.769 -10.141 1.00 3.01 N ATOM 369 NH2 ARG A 26 -8.230 -0.071 -10.887 1.00 12.53 N ATOM 0 H ARG A 26 -9.984 -1.812 -3.884 1.00 53.02 H new ATOM 0 HA ARG A 26 -7.692 -2.942 -5.361 1.00 10.01 H new ATOM 0 HB2 ARG A 26 -9.354 -0.402 -5.768 1.00 45.15 H new ATOM 0 HB3 ARG A 26 -8.061 -0.933 -6.824 1.00 45.15 H new ATOM 0 HG2 ARG A 26 -9.402 -3.042 -7.302 1.00 62.11 H new ATOM 0 HG3 ARG A 26 -10.717 -2.367 -6.361 1.00 62.11 H new ATOM 0 HD2 ARG A 26 -11.154 -1.913 -8.715 1.00 23.31 H new ATOM 0 HD3 ARG A 26 -10.795 -0.391 -7.923 1.00 23.31 H new ATOM 0 HE ARG A 26 -8.476 -1.741 -9.167 1.00 64.23 H new ATOM 0 HH11 ARG A 26 -10.945 0.736 -9.494 1.00 3.01 H new ATOM 0 HH12 ARG A 26 -10.100 1.511 -10.839 1.00 3.01 H new ATOM 0 HH21 ARG A 26 -7.487 -0.768 -10.836 1.00 12.53 H new ATOM 0 HH22 ARG A 26 -8.183 0.675 -11.581 1.00 12.53 H new ATOM 383 N TRP A 27 -5.911 -1.270 -4.743 1.00 23.45 N ATOM 384 CA TRP A 27 -4.784 -0.432 -4.285 1.00 52.34 C ATOM 385 C TRP A 27 -4.502 0.700 -5.286 1.00 50.14 C ATOM 386 O TRP A 27 -4.463 0.472 -6.495 1.00 31.31 O ATOM 387 CB TRP A 27 -3.510 -1.293 -4.096 1.00 54.42 C ATOM 388 CG TRP A 27 -3.506 -2.084 -2.814 1.00 12.51 C ATOM 389 CD1 TRP A 27 -3.849 -3.396 -2.629 1.00 74.01 C ATOM 390 CD2 TRP A 27 -3.151 -1.577 -1.526 1.00 60.53 C ATOM 391 NE1 TRP A 27 -3.668 -3.744 -1.318 1.00 74.01 N ATOM 392 CE2 TRP A 27 -3.259 -2.638 -0.619 1.00 11.34 C ATOM 393 CE3 TRP A 27 -2.737 -0.319 -1.056 1.00 21.44 C ATOM 394 CZ2 TRP A 27 -2.965 -2.490 0.724 1.00 22.44 C ATOM 395 CZ3 TRP A 27 -2.456 -0.173 0.290 1.00 51.31 C ATOM 396 CH2 TRP A 27 -2.571 -1.256 1.165 1.00 0.54 C ATOM 0 H TRP A 27 -5.643 -1.950 -5.454 1.00 23.45 H new ATOM 0 HA TRP A 27 -5.061 0.009 -3.328 1.00 52.34 H new ATOM 0 HB2 TRP A 27 -3.416 -1.979 -4.938 1.00 54.42 H new ATOM 0 HB3 TRP A 27 -2.635 -0.643 -4.116 1.00 54.42 H new ATOM 0 HD1 TRP A 27 -4.209 -4.058 -3.403 1.00 74.01 H new ATOM 0 HE1 TRP A 27 -3.814 -4.674 -0.925 1.00 74.01 H new ATOM 0 HE3 TRP A 27 -2.640 0.517 -1.733 1.00 21.44 H new ATOM 0 HZ2 TRP A 27 -3.044 -3.324 1.405 1.00 22.44 H new ATOM 0 HZ3 TRP A 27 -2.144 0.789 0.669 1.00 51.31 H new ATOM 0 HH2 TRP A 27 -2.344 -1.116 2.212 1.00 0.54 H new ATOM 407 N TYR A 28 -4.320 1.919 -4.758 1.00 63.41 N ATOM 408 CA TYR A 28 -3.958 3.124 -5.542 1.00 31.43 C ATOM 409 C TYR A 28 -2.755 3.817 -4.871 1.00 24.41 C ATOM 410 O TYR A 28 -2.704 3.877 -3.657 1.00 23.13 O ATOM 411 CB TYR A 28 -5.158 4.120 -5.612 1.00 74.43 C ATOM 412 CG TYR A 28 -6.476 3.535 -6.147 1.00 5.43 C ATOM 413 CD1 TYR A 28 -7.297 2.770 -5.326 1.00 13.42 C ATOM 414 CD2 TYR A 28 -6.909 3.750 -7.459 1.00 41.34 C ATOM 415 CE1 TYR A 28 -8.475 2.237 -5.785 1.00 52.45 C ATOM 416 CE2 TYR A 28 -8.103 3.217 -7.920 1.00 4.44 C ATOM 417 CZ TYR A 28 -8.881 2.462 -7.071 1.00 42.24 C ATOM 418 OH TYR A 28 -10.072 1.925 -7.499 1.00 52.24 O ATOM 0 H TYR A 28 -4.420 2.105 -3.760 1.00 63.41 H new ATOM 0 HA TYR A 28 -3.701 2.821 -6.557 1.00 31.43 H new ATOM 0 HB2 TYR A 28 -5.337 4.517 -4.613 1.00 74.43 H new ATOM 0 HB3 TYR A 28 -4.872 4.962 -6.243 1.00 74.43 H new ATOM 0 HD1 TYR A 28 -7.000 2.591 -4.303 1.00 13.42 H new ATOM 0 HD2 TYR A 28 -6.301 4.343 -8.126 1.00 41.34 H new ATOM 0 HE1 TYR A 28 -9.085 1.636 -5.127 1.00 52.45 H new ATOM 0 HE2 TYR A 28 -8.420 3.393 -8.937 1.00 4.44 H new ATOM 0 HH TYR A 28 -10.667 1.794 -6.731 1.00 52.24 H new ATOM 428 N LYS A 29 -1.785 4.312 -5.650 1.00 11.42 N ATOM 429 CA LYS A 29 -0.653 5.120 -5.125 1.00 51.10 C ATOM 430 C LYS A 29 -0.703 6.546 -5.711 1.00 24.14 C ATOM 431 O LYS A 29 -0.786 6.715 -6.934 1.00 73.33 O ATOM 432 CB LYS A 29 0.703 4.431 -5.440 1.00 15.14 C ATOM 433 CG LYS A 29 1.974 5.290 -5.184 1.00 71.31 C ATOM 434 CD LYS A 29 2.123 5.748 -3.705 1.00 11.22 C ATOM 435 CE LYS A 29 3.581 6.047 -3.304 1.00 63.24 C ATOM 436 NZ LYS A 29 4.194 7.120 -4.110 1.00 55.40 N ATOM 0 H LYS A 29 -1.753 4.170 -6.660 1.00 11.42 H new ATOM 0 HA LYS A 29 -0.745 5.193 -4.041 1.00 51.10 H new ATOM 0 HB2 LYS A 29 0.775 3.522 -4.842 1.00 15.14 H new ATOM 0 HB3 LYS A 29 0.699 4.125 -6.486 1.00 15.14 H new ATOM 0 HG2 LYS A 29 2.855 4.715 -5.469 1.00 71.31 H new ATOM 0 HG3 LYS A 29 1.945 6.169 -5.828 1.00 71.31 H new ATOM 0 HD2 LYS A 29 1.519 6.641 -3.546 1.00 11.22 H new ATOM 0 HD3 LYS A 29 1.725 4.973 -3.050 1.00 11.22 H new ATOM 0 HE2 LYS A 29 3.612 6.329 -2.251 1.00 63.24 H new ATOM 0 HE3 LYS A 29 4.174 5.138 -3.408 1.00 63.24 H new ATOM 0 HZ1 LYS A 29 5.115 6.800 -4.471 1.00 55.40 H new ATOM 0 HZ2 LYS A 29 3.571 7.353 -4.910 1.00 55.40 H new ATOM 0 HZ3 LYS A 29 4.328 7.965 -3.519 1.00 55.40 H new ATOM 450 N ASP A 30 -0.670 7.556 -4.810 1.00 11.43 N ATOM 451 CA ASP A 30 -0.695 9.005 -5.148 1.00 70.24 C ATOM 452 C ASP A 30 -1.928 9.424 -6.007 1.00 55.53 C ATOM 453 O ASP A 30 -1.920 10.483 -6.651 1.00 64.03 O ATOM 454 CB ASP A 30 0.653 9.422 -5.810 1.00 61.51 C ATOM 455 CG ASP A 30 1.876 9.322 -4.868 1.00 65.13 C ATOM 456 OD1 ASP A 30 1.710 9.199 -3.627 1.00 12.13 O ATOM 457 OD2 ASP A 30 3.018 9.388 -5.367 1.00 33.50 O ATOM 0 H ASP A 30 -0.624 7.386 -3.805 1.00 11.43 H new ATOM 0 HA ASP A 30 -0.809 9.552 -4.212 1.00 70.24 H new ATOM 0 HB2 ASP A 30 0.827 8.792 -6.682 1.00 61.51 H new ATOM 0 HB3 ASP A 30 0.567 10.448 -6.169 1.00 61.51 H new ATOM 462 N GLY A 31 -2.990 8.598 -5.978 1.00 22.02 N ATOM 463 CA GLY A 31 -4.252 8.892 -6.672 1.00 34.32 C ATOM 464 C GLY A 31 -4.532 8.026 -7.910 1.00 65.55 C ATOM 465 O GLY A 31 -5.531 8.263 -8.601 1.00 74.21 O ATOM 0 H GLY A 31 -2.995 7.711 -5.474 1.00 22.02 H new ATOM 0 HA2 GLY A 31 -5.074 8.767 -5.967 1.00 34.32 H new ATOM 0 HA3 GLY A 31 -4.247 9.939 -6.974 1.00 34.32 H new ATOM 469 N GLU A 32 -3.669 7.024 -8.208 1.00 54.14 N ATOM 470 CA GLU A 32 -3.877 6.120 -9.377 1.00 51.23 C ATOM 471 C GLU A 32 -3.489 4.664 -9.045 1.00 21.43 C ATOM 472 O GLU A 32 -2.479 4.423 -8.395 1.00 61.01 O ATOM 473 CB GLU A 32 -3.088 6.615 -10.620 1.00 1.45 C ATOM 474 CG GLU A 32 -3.522 5.943 -11.943 1.00 73.40 C ATOM 475 CD GLU A 32 -2.786 6.466 -13.186 1.00 62.24 C ATOM 476 OE1 GLU A 32 -2.902 7.673 -13.487 1.00 74.35 O ATOM 477 OE2 GLU A 32 -2.091 5.678 -13.867 1.00 33.14 O ATOM 0 H GLU A 32 -2.830 6.819 -7.665 1.00 54.14 H new ATOM 0 HA GLU A 32 -4.941 6.143 -9.612 1.00 51.23 H new ATOM 0 HB2 GLU A 32 -3.214 7.694 -10.713 1.00 1.45 H new ATOM 0 HB3 GLU A 32 -2.025 6.431 -10.461 1.00 1.45 H new ATOM 0 HG2 GLU A 32 -3.358 4.868 -11.863 1.00 73.40 H new ATOM 0 HG3 GLU A 32 -4.593 6.092 -12.079 1.00 73.40 H new ATOM 484 N ARG A 33 -4.289 3.709 -9.562 1.00 13.53 N ATOM 485 CA ARG A 33 -4.210 2.262 -9.222 1.00 61.53 C ATOM 486 C ARG A 33 -2.823 1.610 -9.497 1.00 52.20 C ATOM 487 O ARG A 33 -2.075 2.041 -10.379 1.00 41.05 O ATOM 488 CB ARG A 33 -5.323 1.463 -9.978 1.00 3.11 C ATOM 489 CG ARG A 33 -5.096 1.270 -11.507 1.00 3.45 C ATOM 490 CD ARG A 33 -5.293 2.559 -12.327 1.00 41.02 C ATOM 491 NE ARG A 33 -4.846 2.427 -13.725 1.00 52.44 N ATOM 492 CZ ARG A 33 -5.090 3.297 -14.688 1.00 33.53 C ATOM 493 NH1 ARG A 33 -5.816 4.358 -14.486 1.00 45.20 N ATOM 494 NH2 ARG A 33 -4.601 3.093 -15.860 1.00 60.21 N ATOM 0 H ARG A 33 -5.022 3.919 -10.239 1.00 13.53 H new ATOM 0 HA ARG A 33 -4.363 2.210 -8.144 1.00 61.53 H new ATOM 0 HB2 ARG A 33 -5.416 0.480 -9.516 1.00 3.11 H new ATOM 0 HB3 ARG A 33 -6.274 1.975 -9.832 1.00 3.11 H new ATOM 0 HG2 ARG A 33 -4.086 0.896 -11.671 1.00 3.45 H new ATOM 0 HG3 ARG A 33 -5.782 0.507 -11.874 1.00 3.45 H new ATOM 0 HD2 ARG A 33 -6.348 2.834 -12.313 1.00 41.02 H new ATOM 0 HD3 ARG A 33 -4.745 3.373 -11.852 1.00 41.02 H new ATOM 0 HE ARG A 33 -4.305 1.597 -13.968 1.00 52.44 H new ATOM 0 HH11 ARG A 33 -6.214 4.536 -13.564 1.00 45.20 H new ATOM 0 HH12 ARG A 33 -5.987 5.012 -15.250 1.00 45.20 H new ATOM 0 HH21 ARG A 33 -4.031 2.266 -16.038 1.00 60.21 H new ATOM 0 HH22 ARG A 33 -4.783 3.758 -16.611 1.00 60.21 H new ATOM 508 N LEU A 34 -2.506 0.559 -8.711 1.00 14.52 N ATOM 509 CA LEU A 34 -1.308 -0.292 -8.916 1.00 51.24 C ATOM 510 C LEU A 34 -1.692 -1.643 -9.563 1.00 31.22 C ATOM 511 O LEU A 34 -2.838 -2.097 -9.460 1.00 35.12 O ATOM 512 CB LEU A 34 -0.564 -0.564 -7.571 1.00 50.24 C ATOM 513 CG LEU A 34 0.045 0.673 -6.826 1.00 14.21 C ATOM 514 CD1 LEU A 34 1.032 0.226 -5.731 1.00 22.52 C ATOM 515 CD2 LEU A 34 0.714 1.656 -7.817 1.00 1.14 C ATOM 0 H LEU A 34 -3.074 0.274 -7.913 1.00 14.52 H new ATOM 0 HA LEU A 34 -0.642 0.253 -9.585 1.00 51.24 H new ATOM 0 HB2 LEU A 34 -1.261 -1.057 -6.893 1.00 50.24 H new ATOM 0 HB3 LEU A 34 0.242 -1.270 -7.768 1.00 50.24 H new ATOM 0 HG LEU A 34 -0.774 1.205 -6.342 1.00 14.21 H new ATOM 0 HD11 LEU A 34 1.440 1.103 -5.229 1.00 22.52 H new ATOM 0 HD12 LEU A 34 0.511 -0.398 -5.005 1.00 22.52 H new ATOM 0 HD13 LEU A 34 1.844 -0.344 -6.183 1.00 22.52 H new ATOM 0 HD21 LEU A 34 1.126 2.502 -7.268 1.00 1.14 H new ATOM 0 HD22 LEU A 34 1.515 1.145 -8.351 1.00 1.14 H new ATOM 0 HD23 LEU A 34 -0.028 2.014 -8.531 1.00 1.14 H new ATOM 527 N ALA A 35 -0.702 -2.272 -10.214 1.00 23.21 N ATOM 528 CA ALA A 35 -0.829 -3.613 -10.821 1.00 5.15 C ATOM 529 C ALA A 35 0.098 -4.615 -10.099 1.00 54.23 C ATOM 530 O ALA A 35 1.206 -4.254 -9.686 1.00 72.42 O ATOM 531 CB ALA A 35 -0.485 -3.536 -12.320 1.00 20.45 C ATOM 0 H ALA A 35 0.223 -1.861 -10.337 1.00 23.21 H new ATOM 0 HA ALA A 35 -1.856 -3.962 -10.714 1.00 5.15 H new ATOM 0 HB1 ALA A 35 -0.579 -4.526 -12.766 1.00 20.45 H new ATOM 0 HB2 ALA A 35 -1.170 -2.848 -12.816 1.00 20.45 H new ATOM 0 HB3 ALA A 35 0.538 -3.179 -12.441 1.00 20.45 H new ATOM 537 N SER A 36 -0.358 -5.868 -9.948 1.00 10.12 N ATOM 538 CA SER A 36 0.448 -6.959 -9.342 1.00 61.42 C ATOM 539 C SER A 36 1.442 -7.540 -10.379 1.00 42.23 C ATOM 540 O SER A 36 1.249 -8.644 -10.896 1.00 40.33 O ATOM 541 CB SER A 36 -0.489 -8.059 -8.769 1.00 1.25 C ATOM 542 OG SER A 36 -1.391 -8.554 -9.756 1.00 1.20 O ATOM 0 H SER A 36 -1.291 -6.161 -10.239 1.00 10.12 H new ATOM 0 HA SER A 36 1.034 -6.554 -8.517 1.00 61.42 H new ATOM 0 HB2 SER A 36 0.111 -8.882 -8.380 1.00 1.25 H new ATOM 0 HB3 SER A 36 -1.055 -7.654 -7.930 1.00 1.25 H new ATOM 0 HG SER A 36 -0.890 -8.810 -10.558 1.00 1.20 H new ATOM 548 N GLN A 37 2.508 -6.767 -10.691 1.00 1.22 N ATOM 549 CA GLN A 37 3.457 -7.103 -11.796 1.00 2.34 C ATOM 550 C GLN A 37 4.952 -6.935 -11.380 1.00 73.25 C ATOM 551 O GLN A 37 5.552 -7.868 -10.834 1.00 75.24 O ATOM 552 CB GLN A 37 3.134 -6.260 -13.079 1.00 45.24 C ATOM 553 CG GLN A 37 1.841 -6.643 -13.829 1.00 74.22 C ATOM 554 CD GLN A 37 1.875 -8.070 -14.402 1.00 75.31 C ATOM 555 OE1 GLN A 37 2.459 -8.232 -15.576 1.00 72.11 O flip ATOM 556 NE2 GLN A 37 1.425 -9.025 -13.776 1.00 32.01 N flip ATOM 0 H GLN A 37 2.739 -5.905 -10.197 1.00 1.22 H new ATOM 0 HA GLN A 37 3.315 -8.159 -12.024 1.00 2.34 H new ATOM 0 HB2 GLN A 37 3.068 -5.210 -12.793 1.00 45.24 H new ATOM 0 HB3 GLN A 37 3.972 -6.350 -13.770 1.00 45.24 H new ATOM 0 HG2 GLN A 37 0.993 -6.551 -13.150 1.00 74.22 H new ATOM 0 HG3 GLN A 37 1.677 -5.936 -14.642 1.00 74.22 H new ATOM 0 HE21 GLN A 37 0.978 -8.877 -12.871 1.00 32.01 H new ATOM 0 HE22 GLN A 37 1.498 -9.967 -14.161 1.00 32.01 H new ATOM 565 N GLY A 38 5.542 -5.739 -11.634 1.00 34.24 N ATOM 566 CA GLY A 38 6.996 -5.523 -11.495 1.00 35.23 C ATOM 567 C GLY A 38 7.425 -5.206 -10.065 1.00 42.14 C ATOM 568 O GLY A 38 7.451 -4.035 -9.673 1.00 2.14 O ATOM 0 H GLY A 38 5.028 -4.912 -11.936 1.00 34.24 H new ATOM 0 HA2 GLY A 38 7.523 -6.414 -11.836 1.00 35.23 H new ATOM 0 HA3 GLY A 38 7.299 -4.704 -12.148 1.00 35.23 H new ATOM 572 N ARG A 39 7.694 -6.276 -9.270 1.00 65.31 N ATOM 573 CA ARG A 39 8.069 -6.196 -7.813 1.00 51.34 C ATOM 574 C ARG A 39 6.892 -5.748 -6.899 1.00 71.43 C ATOM 575 O ARG A 39 6.987 -5.853 -5.677 1.00 10.12 O ATOM 576 CB ARG A 39 9.347 -5.313 -7.577 1.00 13.12 C ATOM 577 CG ARG A 39 10.694 -6.067 -7.704 1.00 21.31 C ATOM 578 CD ARG A 39 10.894 -6.748 -9.066 1.00 22.11 C ATOM 579 NE ARG A 39 12.120 -7.565 -9.114 1.00 15.31 N ATOM 580 CZ ARG A 39 12.710 -7.978 -10.215 1.00 44.04 C ATOM 581 NH1 ARG A 39 12.270 -7.635 -11.390 1.00 32.53 N ATOM 582 NH2 ARG A 39 13.751 -8.735 -10.126 1.00 41.04 N ATOM 0 H ARG A 39 7.659 -7.234 -9.617 1.00 65.31 H new ATOM 0 HA ARG A 39 8.315 -7.216 -7.519 1.00 51.34 H new ATOM 0 HB2 ARG A 39 9.339 -4.490 -8.292 1.00 13.12 H new ATOM 0 HB3 ARG A 39 9.287 -4.872 -6.582 1.00 13.12 H new ATOM 0 HG2 ARG A 39 11.511 -5.365 -7.535 1.00 21.31 H new ATOM 0 HG3 ARG A 39 10.754 -6.820 -6.919 1.00 21.31 H new ATOM 0 HD2 ARG A 39 10.032 -7.379 -9.283 1.00 22.11 H new ATOM 0 HD3 ARG A 39 10.937 -5.988 -9.846 1.00 22.11 H new ATOM 0 HE ARG A 39 12.544 -7.831 -8.225 1.00 15.31 H new ATOM 0 HH11 ARG A 39 11.451 -7.033 -11.472 1.00 32.53 H new ATOM 0 HH12 ARG A 39 12.744 -7.968 -12.229 1.00 32.53 H new ATOM 0 HH21 ARG A 39 14.107 -9.006 -9.210 1.00 41.04 H new ATOM 0 HH22 ARG A 39 14.218 -9.062 -10.972 1.00 41.04 H new ATOM 596 N VAL A 40 5.799 -5.268 -7.507 1.00 3.14 N ATOM 597 CA VAL A 40 4.580 -4.846 -6.812 1.00 34.13 C ATOM 598 C VAL A 40 3.617 -6.051 -6.712 1.00 5.42 C ATOM 599 O VAL A 40 3.149 -6.562 -7.725 1.00 64.05 O ATOM 600 CB VAL A 40 3.917 -3.643 -7.581 1.00 32.40 C ATOM 601 CG1 VAL A 40 2.599 -3.187 -6.909 1.00 20.50 C ATOM 602 CG2 VAL A 40 4.924 -2.465 -7.721 1.00 5.25 C ATOM 0 H VAL A 40 5.739 -5.161 -8.520 1.00 3.14 H new ATOM 0 HA VAL A 40 4.818 -4.506 -5.804 1.00 34.13 H new ATOM 0 HB VAL A 40 3.656 -3.988 -8.581 1.00 32.40 H new ATOM 0 HG11 VAL A 40 2.173 -2.355 -7.470 1.00 20.50 H new ATOM 0 HG12 VAL A 40 1.891 -4.016 -6.896 1.00 20.50 H new ATOM 0 HG13 VAL A 40 2.803 -2.868 -5.887 1.00 20.50 H new ATOM 0 HG21 VAL A 40 4.449 -1.642 -8.255 1.00 5.25 H new ATOM 0 HG22 VAL A 40 5.229 -2.127 -6.730 1.00 5.25 H new ATOM 0 HG23 VAL A 40 5.801 -2.800 -8.276 1.00 5.25 H new ATOM 612 N GLN A 41 3.370 -6.512 -5.479 1.00 1.51 N ATOM 613 CA GLN A 41 2.585 -7.731 -5.182 1.00 12.15 C ATOM 614 C GLN A 41 1.269 -7.355 -4.467 1.00 55.11 C ATOM 615 O GLN A 41 1.291 -6.565 -3.526 1.00 13.43 O ATOM 616 CB GLN A 41 3.422 -8.670 -4.270 1.00 72.41 C ATOM 617 CG GLN A 41 4.788 -9.100 -4.844 1.00 3.54 C ATOM 618 CD GLN A 41 5.595 -9.967 -3.871 1.00 62.52 C ATOM 619 OE1 GLN A 41 5.483 -11.190 -3.865 1.00 22.52 O ATOM 620 NE2 GLN A 41 6.406 -9.345 -3.031 1.00 50.54 N ATOM 0 H GLN A 41 3.714 -6.044 -4.640 1.00 1.51 H new ATOM 0 HA GLN A 41 2.347 -8.240 -6.116 1.00 12.15 H new ATOM 0 HB2 GLN A 41 3.588 -8.169 -3.316 1.00 72.41 H new ATOM 0 HB3 GLN A 41 2.836 -9.565 -4.062 1.00 72.41 H new ATOM 0 HG2 GLN A 41 4.630 -9.652 -5.770 1.00 3.54 H new ATOM 0 HG3 GLN A 41 5.366 -8.212 -5.097 1.00 3.54 H new ATOM 0 HE21 GLN A 41 6.483 -8.328 -3.055 1.00 50.54 H new ATOM 0 HE22 GLN A 41 6.955 -9.882 -2.360 1.00 50.54 H new ATOM 629 N LEU A 42 0.125 -7.907 -4.922 1.00 54.43 N ATOM 630 CA LEU A 42 -1.195 -7.650 -4.294 1.00 31.45 C ATOM 631 C LEU A 42 -1.816 -8.970 -3.766 1.00 22.02 C ATOM 632 O LEU A 42 -2.483 -9.694 -4.511 1.00 22.35 O ATOM 633 CB LEU A 42 -2.153 -6.948 -5.312 1.00 22.51 C ATOM 634 CG LEU A 42 -1.654 -5.587 -5.908 1.00 3.15 C ATOM 635 CD1 LEU A 42 -2.687 -4.970 -6.873 1.00 11.50 C ATOM 636 CD2 LEU A 42 -1.278 -4.595 -4.794 1.00 74.14 C ATOM 0 H LEU A 42 0.085 -8.536 -5.724 1.00 54.43 H new ATOM 0 HA LEU A 42 -1.052 -6.983 -3.444 1.00 31.45 H new ATOM 0 HB2 LEU A 42 -2.339 -7.635 -6.137 1.00 22.51 H new ATOM 0 HB3 LEU A 42 -3.110 -6.776 -4.819 1.00 22.51 H new ATOM 0 HG LEU A 42 -0.755 -5.800 -6.487 1.00 3.15 H new ATOM 0 HD11 LEU A 42 -2.302 -4.028 -7.264 1.00 11.50 H new ATOM 0 HD12 LEU A 42 -2.870 -5.658 -7.699 1.00 11.50 H new ATOM 0 HD13 LEU A 42 -3.620 -4.788 -6.339 1.00 11.50 H new ATOM 0 HD21 LEU A 42 -0.936 -3.661 -5.239 1.00 74.14 H new ATOM 0 HD22 LEU A 42 -2.150 -4.401 -4.170 1.00 74.14 H new ATOM 0 HD23 LEU A 42 -0.481 -5.019 -4.183 1.00 74.14 H new ATOM 648 N GLU A 43 -1.559 -9.293 -2.489 1.00 31.02 N ATOM 649 CA GLU A 43 -2.135 -10.482 -1.815 1.00 42.31 C ATOM 650 C GLU A 43 -3.562 -10.177 -1.315 1.00 32.01 C ATOM 651 O GLU A 43 -3.745 -9.556 -0.265 1.00 20.51 O ATOM 652 CB GLU A 43 -1.229 -10.949 -0.633 1.00 21.12 C ATOM 653 CG GLU A 43 0.109 -11.612 -1.038 1.00 1.34 C ATOM 654 CD GLU A 43 1.040 -10.703 -1.872 1.00 32.44 C ATOM 655 OE1 GLU A 43 1.707 -9.822 -1.286 1.00 5.52 O ATOM 656 OE2 GLU A 43 1.107 -10.879 -3.110 1.00 71.53 O ATOM 0 H GLU A 43 -0.946 -8.741 -1.889 1.00 31.02 H new ATOM 0 HA GLU A 43 -2.186 -11.293 -2.541 1.00 42.31 H new ATOM 0 HB2 GLU A 43 -1.011 -10.086 -0.003 1.00 21.12 H new ATOM 0 HB3 GLU A 43 -1.793 -11.654 -0.023 1.00 21.12 H new ATOM 0 HG2 GLU A 43 0.636 -11.922 -0.135 1.00 1.34 H new ATOM 0 HG3 GLU A 43 -0.104 -12.516 -1.609 1.00 1.34 H new ATOM 663 N GLN A 44 -4.572 -10.599 -2.089 1.00 61.01 N ATOM 664 CA GLN A 44 -5.990 -10.390 -1.737 1.00 14.21 C ATOM 665 C GLN A 44 -6.530 -11.524 -0.819 1.00 63.31 C ATOM 666 O GLN A 44 -6.368 -12.709 -1.108 1.00 44.42 O ATOM 667 CB GLN A 44 -6.866 -10.166 -3.024 1.00 50.40 C ATOM 668 CG GLN A 44 -6.530 -11.020 -4.284 1.00 70.10 C ATOM 669 CD GLN A 44 -6.886 -12.510 -4.186 1.00 72.22 C ATOM 670 OE1 GLN A 44 -8.009 -12.914 -4.475 1.00 33.12 O ATOM 671 NE2 GLN A 44 -5.931 -13.340 -3.807 1.00 10.32 N ATOM 0 H GLN A 44 -4.434 -11.092 -2.971 1.00 61.01 H new ATOM 0 HA GLN A 44 -6.061 -9.474 -1.150 1.00 14.21 H new ATOM 0 HB2 GLN A 44 -7.906 -10.354 -2.759 1.00 50.40 H new ATOM 0 HB3 GLN A 44 -6.792 -9.115 -3.302 1.00 50.40 H new ATOM 0 HG2 GLN A 44 -7.054 -10.595 -5.140 1.00 70.10 H new ATOM 0 HG3 GLN A 44 -5.463 -10.932 -4.487 1.00 70.10 H new ATOM 0 HE21 GLN A 44 -5.006 -12.980 -3.572 1.00 10.32 H new ATOM 0 HE22 GLN A 44 -6.118 -14.341 -3.749 1.00 10.32 H new ATOM 680 N ALA A 45 -7.117 -11.130 0.325 1.00 34.24 N ATOM 681 CA ALA A 45 -7.770 -12.063 1.275 1.00 23.53 C ATOM 682 C ALA A 45 -9.114 -11.500 1.817 1.00 1.04 C ATOM 683 O ALA A 45 -9.681 -12.043 2.775 1.00 22.45 O ATOM 684 CB ALA A 45 -6.795 -12.381 2.424 1.00 63.45 C ATOM 0 H ALA A 45 -7.155 -10.155 0.622 1.00 34.24 H new ATOM 0 HA ALA A 45 -8.015 -12.982 0.743 1.00 23.53 H new ATOM 0 HB1 ALA A 45 -7.270 -13.067 3.125 1.00 63.45 H new ATOM 0 HB2 ALA A 45 -5.894 -12.842 2.020 1.00 63.45 H new ATOM 0 HB3 ALA A 45 -6.529 -11.459 2.941 1.00 63.45 H new ATOM 690 N GLY A 46 -9.632 -10.431 1.175 1.00 42.21 N ATOM 691 CA GLY A 46 -10.896 -9.790 1.584 1.00 73.42 C ATOM 692 C GLY A 46 -10.672 -8.591 2.509 1.00 41.50 C ATOM 693 O GLY A 46 -10.766 -7.439 2.076 1.00 53.13 O ATOM 0 H GLY A 46 -9.190 -9.993 0.367 1.00 42.21 H new ATOM 0 HA2 GLY A 46 -11.438 -9.464 0.696 1.00 73.42 H new ATOM 0 HA3 GLY A 46 -11.524 -10.523 2.090 1.00 73.42 H new ATOM 697 N ALA A 47 -10.388 -8.873 3.795 1.00 2.53 N ATOM 698 CA ALA A 47 -10.004 -7.838 4.783 1.00 70.50 C ATOM 699 C ALA A 47 -8.492 -7.526 4.668 1.00 14.13 C ATOM 700 O ALA A 47 -8.093 -6.369 4.493 1.00 33.40 O ATOM 701 CB ALA A 47 -10.358 -8.297 6.208 1.00 64.31 C ATOM 0 H ALA A 47 -10.417 -9.817 4.180 1.00 2.53 H new ATOM 0 HA ALA A 47 -10.563 -6.926 4.571 1.00 70.50 H new ATOM 0 HB1 ALA A 47 -10.069 -7.525 6.921 1.00 64.31 H new ATOM 0 HB2 ALA A 47 -11.432 -8.472 6.278 1.00 64.31 H new ATOM 0 HB3 ALA A 47 -9.824 -9.220 6.436 1.00 64.31 H new ATOM 707 N ARG A 48 -7.664 -8.590 4.758 1.00 10.12 N ATOM 708 CA ARG A 48 -6.191 -8.476 4.682 1.00 64.31 C ATOM 709 C ARG A 48 -5.697 -8.421 3.217 1.00 23.11 C ATOM 710 O ARG A 48 -5.468 -9.448 2.573 1.00 42.52 O ATOM 711 CB ARG A 48 -5.516 -9.637 5.471 1.00 32.33 C ATOM 712 CG ARG A 48 -3.967 -9.614 5.471 1.00 55.22 C ATOM 713 CD ARG A 48 -3.349 -10.575 6.507 1.00 55.52 C ATOM 714 NE ARG A 48 -3.769 -11.971 6.311 1.00 13.43 N ATOM 715 CZ ARG A 48 -3.357 -12.998 7.030 1.00 34.42 C ATOM 716 NH1 ARG A 48 -2.482 -12.857 7.976 1.00 72.51 N ATOM 717 NH2 ARG A 48 -3.838 -14.169 6.782 1.00 40.52 N ATOM 0 H ARG A 48 -7.995 -9.546 4.885 1.00 10.12 H new ATOM 0 HA ARG A 48 -5.900 -7.534 5.148 1.00 64.31 H new ATOM 0 HB2 ARG A 48 -5.865 -9.606 6.503 1.00 32.33 H new ATOM 0 HB3 ARG A 48 -5.850 -10.585 5.050 1.00 32.33 H new ATOM 0 HG2 ARG A 48 -3.605 -9.879 4.477 1.00 55.22 H new ATOM 0 HG3 ARG A 48 -3.624 -8.600 5.675 1.00 55.22 H new ATOM 0 HD2 ARG A 48 -2.262 -10.516 6.448 1.00 55.52 H new ATOM 0 HD3 ARG A 48 -3.632 -10.253 7.509 1.00 55.52 H new ATOM 0 HE ARG A 48 -4.432 -12.160 5.559 1.00 13.43 H new ATOM 0 HH11 ARG A 48 -2.095 -11.935 8.180 1.00 72.51 H new ATOM 0 HH12 ARG A 48 -2.181 -13.668 8.517 1.00 72.51 H new ATOM 0 HH21 ARG A 48 -4.526 -14.291 6.039 1.00 40.52 H new ATOM 0 HH22 ARG A 48 -3.530 -14.973 7.329 1.00 40.52 H new ATOM 731 N GLN A 49 -5.596 -7.196 2.687 1.00 2.22 N ATOM 732 CA GLN A 49 -4.958 -6.929 1.383 1.00 34.14 C ATOM 733 C GLN A 49 -3.496 -6.511 1.632 1.00 43.41 C ATOM 734 O GLN A 49 -3.240 -5.613 2.437 1.00 22.31 O ATOM 735 CB GLN A 49 -5.723 -5.808 0.632 1.00 71.23 C ATOM 736 CG GLN A 49 -7.247 -6.011 0.553 1.00 52.11 C ATOM 737 CD GLN A 49 -7.677 -7.213 -0.298 1.00 50.00 C ATOM 738 OE1 GLN A 49 -7.849 -8.317 0.196 1.00 55.12 O ATOM 739 NE2 GLN A 49 -7.846 -7.000 -1.593 1.00 63.35 N ATOM 0 H GLN A 49 -5.953 -6.359 3.147 1.00 2.22 H new ATOM 0 HA GLN A 49 -4.984 -7.826 0.764 1.00 34.14 H new ATOM 0 HB2 GLN A 49 -5.522 -4.857 1.125 1.00 71.23 H new ATOM 0 HB3 GLN A 49 -5.327 -5.732 -0.381 1.00 71.23 H new ATOM 0 HG2 GLN A 49 -7.639 -6.136 1.563 1.00 52.11 H new ATOM 0 HG3 GLN A 49 -7.702 -5.109 0.144 1.00 52.11 H new ATOM 0 HE21 GLN A 49 -7.696 -6.068 -1.980 1.00 63.35 H new ATOM 0 HE22 GLN A 49 -8.126 -7.767 -2.204 1.00 63.35 H new ATOM 748 N VAL A 50 -2.533 -7.176 0.985 1.00 25.32 N ATOM 749 CA VAL A 50 -1.102 -6.889 1.199 1.00 34.21 C ATOM 750 C VAL A 50 -0.455 -6.325 -0.089 1.00 32.53 C ATOM 751 O VAL A 50 -0.289 -7.042 -1.073 1.00 20.51 O ATOM 752 CB VAL A 50 -0.341 -8.173 1.700 1.00 0.33 C ATOM 753 CG1 VAL A 50 1.141 -7.870 2.008 1.00 33.11 C ATOM 754 CG2 VAL A 50 -1.049 -8.808 2.930 1.00 13.02 C ATOM 0 H VAL A 50 -2.714 -7.917 0.308 1.00 25.32 H new ATOM 0 HA VAL A 50 -1.021 -6.128 1.975 1.00 34.21 H new ATOM 0 HB VAL A 50 -0.367 -8.901 0.889 1.00 0.33 H new ATOM 0 HG11 VAL A 50 1.635 -8.779 2.351 1.00 33.11 H new ATOM 0 HG12 VAL A 50 1.634 -7.508 1.105 1.00 33.11 H new ATOM 0 HG13 VAL A 50 1.203 -7.108 2.785 1.00 33.11 H new ATOM 0 HG21 VAL A 50 -0.498 -9.692 3.251 1.00 13.02 H new ATOM 0 HG22 VAL A 50 -1.081 -8.085 3.745 1.00 13.02 H new ATOM 0 HG23 VAL A 50 -2.065 -9.093 2.658 1.00 13.02 H new ATOM 764 N LEU A 51 -0.123 -5.019 -0.069 1.00 72.14 N ATOM 765 CA LEU A 51 0.679 -4.363 -1.127 1.00 3.34 C ATOM 766 C LEU A 51 2.161 -4.439 -0.738 1.00 22.45 C ATOM 767 O LEU A 51 2.579 -3.826 0.238 1.00 43.31 O ATOM 768 CB LEU A 51 0.190 -2.885 -1.352 1.00 31.54 C ATOM 769 CG LEU A 51 0.998 -1.915 -2.317 1.00 12.44 C ATOM 770 CD1 LEU A 51 2.185 -1.223 -1.610 1.00 12.50 C ATOM 771 CD2 LEU A 51 1.466 -2.647 -3.583 1.00 33.33 C ATOM 0 H LEU A 51 -0.402 -4.387 0.681 1.00 72.14 H new ATOM 0 HA LEU A 51 0.548 -4.879 -2.078 1.00 3.34 H new ATOM 0 HB2 LEU A 51 -0.832 -2.936 -1.727 1.00 31.54 H new ATOM 0 HB3 LEU A 51 0.147 -2.406 -0.374 1.00 31.54 H new ATOM 0 HG LEU A 51 0.304 -1.129 -2.613 1.00 12.44 H new ATOM 0 HD11 LEU A 51 2.701 -0.573 -2.317 1.00 12.50 H new ATOM 0 HD12 LEU A 51 1.815 -0.629 -0.774 1.00 12.50 H new ATOM 0 HD13 LEU A 51 2.878 -1.978 -1.240 1.00 12.50 H new ATOM 0 HD21 LEU A 51 2.015 -1.955 -4.221 1.00 33.33 H new ATOM 0 HD22 LEU A 51 2.115 -3.477 -3.304 1.00 33.33 H new ATOM 0 HD23 LEU A 51 0.600 -3.029 -4.123 1.00 33.33 H new ATOM 783 N ARG A 52 2.949 -5.210 -1.496 1.00 1.10 N ATOM 784 CA ARG A 52 4.408 -5.267 -1.327 1.00 40.31 C ATOM 785 C ARG A 52 5.127 -4.680 -2.551 1.00 22.33 C ATOM 786 O ARG A 52 5.196 -5.323 -3.593 1.00 23.01 O ATOM 787 CB ARG A 52 4.860 -6.725 -1.085 1.00 74.42 C ATOM 788 CG ARG A 52 4.285 -7.355 0.193 1.00 33.54 C ATOM 789 CD ARG A 52 4.835 -8.762 0.441 1.00 11.50 C ATOM 790 NE ARG A 52 6.308 -8.762 0.483 1.00 14.32 N ATOM 791 CZ ARG A 52 7.082 -9.796 0.264 1.00 2.11 C ATOM 792 NH1 ARG A 52 6.592 -10.969 0.020 1.00 73.33 N ATOM 793 NH2 ARG A 52 8.360 -9.636 0.273 1.00 42.52 N ATOM 0 H ARG A 52 2.596 -5.810 -2.241 1.00 1.10 H new ATOM 0 HA ARG A 52 4.675 -4.666 -0.458 1.00 40.31 H new ATOM 0 HB2 ARG A 52 4.566 -7.332 -1.941 1.00 74.42 H new ATOM 0 HB3 ARG A 52 5.948 -6.753 -1.033 1.00 74.42 H new ATOM 0 HG2 ARG A 52 4.519 -6.719 1.047 1.00 33.54 H new ATOM 0 HG3 ARG A 52 3.199 -7.399 0.117 1.00 33.54 H new ATOM 0 HD2 ARG A 52 4.442 -9.147 1.382 1.00 11.50 H new ATOM 0 HD3 ARG A 52 4.492 -9.433 -0.346 1.00 11.50 H new ATOM 0 HE ARG A 52 6.766 -7.877 0.702 1.00 14.32 H new ATOM 0 HH11 ARG A 52 5.581 -11.104 -0.005 1.00 73.33 H new ATOM 0 HH12 ARG A 52 7.217 -11.758 -0.147 1.00 73.33 H new ATOM 0 HH21 ARG A 52 8.757 -8.713 0.449 1.00 42.52 H new ATOM 0 HH22 ARG A 52 8.975 -10.432 0.104 1.00 42.52 H new ATOM 807 N VAL A 53 5.667 -3.457 -2.419 1.00 12.23 N ATOM 808 CA VAL A 53 6.582 -2.883 -3.423 1.00 2.45 C ATOM 809 C VAL A 53 8.028 -3.205 -2.996 1.00 40.14 C ATOM 810 O VAL A 53 8.598 -2.545 -2.110 1.00 51.42 O ATOM 811 CB VAL A 53 6.387 -1.333 -3.623 1.00 13.42 C ATOM 812 CG1 VAL A 53 7.349 -0.789 -4.710 1.00 64.33 C ATOM 813 CG2 VAL A 53 4.920 -0.994 -3.974 1.00 34.34 C ATOM 0 H VAL A 53 5.486 -2.844 -1.624 1.00 12.23 H new ATOM 0 HA VAL A 53 6.357 -3.332 -4.390 1.00 2.45 H new ATOM 0 HB VAL A 53 6.628 -0.845 -2.679 1.00 13.42 H new ATOM 0 HG11 VAL A 53 7.194 0.283 -4.829 1.00 64.33 H new ATOM 0 HG12 VAL A 53 8.380 -0.976 -4.410 1.00 64.33 H new ATOM 0 HG13 VAL A 53 7.150 -1.291 -5.657 1.00 64.33 H new ATOM 0 HG21 VAL A 53 4.817 0.083 -4.106 1.00 34.34 H new ATOM 0 HG22 VAL A 53 4.640 -1.501 -4.897 1.00 34.34 H new ATOM 0 HG23 VAL A 53 4.267 -1.325 -3.166 1.00 34.34 H new ATOM 823 N GLN A 54 8.577 -4.281 -3.582 1.00 73.21 N ATOM 824 CA GLN A 54 9.928 -4.772 -3.273 1.00 52.23 C ATOM 825 C GLN A 54 11.002 -3.756 -3.744 1.00 33.35 C ATOM 826 O GLN A 54 11.377 -3.713 -4.927 1.00 41.22 O ATOM 827 CB GLN A 54 10.133 -6.170 -3.917 1.00 64.54 C ATOM 828 CG GLN A 54 11.461 -6.860 -3.569 1.00 73.24 C ATOM 829 CD GLN A 54 11.598 -8.236 -4.219 1.00 22.32 C ATOM 830 OE1 GLN A 54 12.112 -8.369 -5.324 1.00 42.13 O ATOM 831 NE2 GLN A 54 11.113 -9.267 -3.555 1.00 72.43 N ATOM 0 H GLN A 54 8.093 -4.837 -4.287 1.00 73.21 H new ATOM 0 HA GLN A 54 10.038 -4.875 -2.193 1.00 52.23 H new ATOM 0 HB2 GLN A 54 9.313 -6.819 -3.609 1.00 64.54 H new ATOM 0 HB3 GLN A 54 10.068 -6.067 -5.000 1.00 64.54 H new ATOM 0 HG2 GLN A 54 12.289 -6.228 -3.889 1.00 73.24 H new ATOM 0 HG3 GLN A 54 11.539 -6.964 -2.487 1.00 73.24 H new ATOM 0 HE21 GLN A 54 10.690 -9.129 -2.637 1.00 72.43 H new ATOM 0 HE22 GLN A 54 11.161 -10.202 -3.959 1.00 72.43 H new ATOM 840 N GLY A 55 11.436 -2.920 -2.798 1.00 1.22 N ATOM 841 CA GLY A 55 12.385 -1.844 -3.056 1.00 11.23 C ATOM 842 C GLY A 55 12.486 -0.909 -1.856 1.00 54.34 C ATOM 843 O GLY A 55 13.571 -0.745 -1.282 1.00 64.54 O ATOM 0 H GLY A 55 11.134 -2.974 -1.825 1.00 1.22 H new ATOM 0 HA2 GLY A 55 13.366 -2.264 -3.278 1.00 11.23 H new ATOM 0 HA3 GLY A 55 12.073 -1.281 -3.936 1.00 11.23 H new ATOM 847 N ALA A 56 11.326 -0.300 -1.504 1.00 71.43 N ATOM 848 CA ALA A 56 11.135 0.562 -0.311 1.00 73.55 C ATOM 849 C ALA A 56 12.274 1.584 -0.126 1.00 1.23 C ATOM 850 O ALA A 56 13.062 1.449 0.786 1.00 53.13 O ATOM 851 CB ALA A 56 10.924 -0.295 0.955 1.00 52.44 C ATOM 0 H ALA A 56 10.475 -0.398 -2.057 1.00 71.43 H new ATOM 0 HA ALA A 56 10.231 1.147 -0.480 1.00 73.55 H new ATOM 0 HB1 ALA A 56 10.786 0.357 1.817 1.00 52.44 H new ATOM 0 HB2 ALA A 56 10.040 -0.920 0.828 1.00 52.44 H new ATOM 0 HB3 ALA A 56 11.796 -0.928 1.115 1.00 52.44 H new ATOM 857 N ARG A 57 12.366 2.592 -1.009 1.00 61.53 N ATOM 858 CA ARG A 57 13.535 3.505 -1.047 1.00 12.30 C ATOM 859 C ARG A 57 13.190 4.870 -1.696 1.00 65.31 C ATOM 860 O ARG A 57 13.387 5.929 -1.080 1.00 13.52 O ATOM 861 CB ARG A 57 14.687 2.792 -1.811 1.00 1.35 C ATOM 862 CG ARG A 57 16.037 3.549 -1.873 1.00 11.10 C ATOM 863 CD ARG A 57 17.129 2.714 -2.576 1.00 62.11 C ATOM 864 NE ARG A 57 18.429 3.413 -2.640 1.00 61.21 N ATOM 865 CZ ARG A 57 19.602 2.822 -2.770 1.00 52.23 C ATOM 866 NH1 ARG A 57 19.706 1.530 -2.757 1.00 34.12 N ATOM 867 NH2 ARG A 57 20.669 3.541 -2.898 1.00 54.01 N ATOM 0 H ARG A 57 11.651 2.800 -1.706 1.00 61.53 H new ATOM 0 HA ARG A 57 13.846 3.728 -0.026 1.00 12.30 H new ATOM 0 HB2 ARG A 57 14.859 1.822 -1.344 1.00 1.35 H new ATOM 0 HB3 ARG A 57 14.354 2.600 -2.831 1.00 1.35 H new ATOM 0 HG2 ARG A 57 15.902 4.491 -2.404 1.00 11.10 H new ATOM 0 HG3 ARG A 57 16.362 3.796 -0.862 1.00 11.10 H new ATOM 0 HD2 ARG A 57 17.255 1.769 -2.047 1.00 62.11 H new ATOM 0 HD3 ARG A 57 16.801 2.472 -3.587 1.00 62.11 H new ATOM 0 HE ARG A 57 18.419 4.431 -2.579 1.00 61.21 H new ATOM 0 HH11 ARG A 57 18.873 0.952 -2.645 1.00 34.12 H new ATOM 0 HH12 ARG A 57 20.621 1.091 -2.859 1.00 34.12 H new ATOM 0 HH21 ARG A 57 20.601 4.559 -2.898 1.00 54.01 H new ATOM 0 HH22 ARG A 57 21.579 3.090 -2.999 1.00 54.01 H new ATOM 881 N SER A 58 12.679 4.837 -2.944 1.00 64.10 N ATOM 882 CA SER A 58 12.416 6.064 -3.750 1.00 72.32 C ATOM 883 C SER A 58 11.112 5.921 -4.566 1.00 50.55 C ATOM 884 O SER A 58 11.000 5.042 -5.429 1.00 74.34 O ATOM 885 CB SER A 58 13.611 6.358 -4.692 1.00 22.42 C ATOM 886 OG SER A 58 14.812 6.592 -3.963 1.00 0.25 O ATOM 0 H SER A 58 12.436 3.971 -3.425 1.00 64.10 H new ATOM 0 HA SER A 58 12.297 6.901 -3.063 1.00 72.32 H new ATOM 0 HB2 SER A 58 13.755 5.517 -5.370 1.00 22.42 H new ATOM 0 HB3 SER A 58 13.384 7.228 -5.307 1.00 22.42 H new ATOM 0 HG SER A 58 15.545 6.772 -4.589 1.00 0.25 H new ATOM 892 N GLY A 59 10.127 6.796 -4.283 1.00 4.22 N ATOM 893 CA GLY A 59 8.793 6.726 -4.910 1.00 13.30 C ATOM 894 C GLY A 59 7.815 5.794 -4.169 1.00 14.31 C ATOM 895 O GLY A 59 6.629 5.746 -4.500 1.00 74.42 O ATOM 0 H GLY A 59 10.232 7.564 -3.620 1.00 4.22 H new ATOM 0 HA2 GLY A 59 8.367 7.728 -4.952 1.00 13.30 H new ATOM 0 HA3 GLY A 59 8.901 6.383 -5.939 1.00 13.30 H new ATOM 899 N ASP A 60 8.331 5.063 -3.163 1.00 53.41 N ATOM 900 CA ASP A 60 7.552 4.114 -2.335 1.00 3.12 C ATOM 901 C ASP A 60 6.746 4.850 -1.233 1.00 24.15 C ATOM 902 O ASP A 60 5.665 4.410 -0.832 1.00 74.12 O ATOM 903 CB ASP A 60 8.525 3.102 -1.689 1.00 54.32 C ATOM 904 CG ASP A 60 9.393 2.366 -2.725 1.00 50.34 C ATOM 905 OD1 ASP A 60 10.349 2.975 -3.254 1.00 24.34 O ATOM 906 OD2 ASP A 60 9.154 1.178 -2.990 1.00 31.03 O ATOM 0 H ASP A 60 9.314 5.113 -2.896 1.00 53.41 H new ATOM 0 HA ASP A 60 6.837 3.596 -2.975 1.00 3.12 H new ATOM 0 HB2 ASP A 60 9.172 3.625 -0.985 1.00 54.32 H new ATOM 0 HB3 ASP A 60 7.955 2.372 -1.115 1.00 54.32 H new ATOM 911 N ALA A 61 7.307 5.974 -0.744 1.00 11.52 N ATOM 912 CA ALA A 61 6.670 6.826 0.280 1.00 31.44 C ATOM 913 C ALA A 61 5.564 7.680 -0.367 1.00 23.11 C ATOM 914 O ALA A 61 5.831 8.450 -1.300 1.00 25.13 O ATOM 915 CB ALA A 61 7.723 7.713 0.972 1.00 53.33 C ATOM 0 H ALA A 61 8.218 6.317 -1.049 1.00 11.52 H new ATOM 0 HA ALA A 61 6.216 6.192 1.041 1.00 31.44 H new ATOM 0 HB1 ALA A 61 7.237 8.335 1.724 1.00 53.33 H new ATOM 0 HB2 ALA A 61 8.472 7.082 1.451 1.00 53.33 H new ATOM 0 HB3 ALA A 61 8.206 8.350 0.231 1.00 53.33 H new ATOM 921 N GLY A 62 4.323 7.515 0.108 1.00 34.30 N ATOM 922 CA GLY A 62 3.183 8.231 -0.460 1.00 2.34 C ATOM 923 C GLY A 62 1.837 7.786 0.103 1.00 33.41 C ATOM 924 O GLY A 62 1.776 6.954 1.014 1.00 50.42 O ATOM 0 H GLY A 62 4.087 6.893 0.882 1.00 34.30 H new ATOM 0 HA2 GLY A 62 3.308 9.298 -0.278 1.00 2.34 H new ATOM 0 HA3 GLY A 62 3.179 8.091 -1.541 1.00 2.34 H new ATOM 928 N GLU A 63 0.749 8.347 -0.451 1.00 50.43 N ATOM 929 CA GLU A 63 -0.622 8.051 0.003 1.00 63.50 C ATOM 930 C GLU A 63 -1.210 6.886 -0.811 1.00 3.43 C ATOM 931 O GLU A 63 -1.434 7.008 -2.020 1.00 3.43 O ATOM 932 CB GLU A 63 -1.546 9.291 -0.123 1.00 63.42 C ATOM 933 CG GLU A 63 -1.091 10.563 0.636 1.00 31.25 C ATOM 934 CD GLU A 63 0.073 11.315 -0.041 1.00 53.51 C ATOM 935 OE1 GLU A 63 -0.172 12.017 -1.049 1.00 45.10 O ATOM 936 OE2 GLU A 63 1.226 11.215 0.424 1.00 2.55 O ATOM 0 H GLU A 63 0.793 9.014 -1.221 1.00 50.43 H new ATOM 0 HA GLU A 63 -0.567 7.773 1.056 1.00 63.50 H new ATOM 0 HB2 GLU A 63 -1.644 9.539 -1.180 1.00 63.42 H new ATOM 0 HB3 GLU A 63 -2.539 9.016 0.233 1.00 63.42 H new ATOM 0 HG2 GLU A 63 -1.940 11.240 0.732 1.00 31.25 H new ATOM 0 HG3 GLU A 63 -0.791 10.283 1.646 1.00 31.25 H new ATOM 943 N TYR A 64 -1.426 5.747 -0.149 1.00 30.22 N ATOM 944 CA TYR A 64 -2.086 4.575 -0.750 1.00 41.11 C ATOM 945 C TYR A 64 -3.584 4.499 -0.362 1.00 75.12 C ATOM 946 O TYR A 64 -3.923 4.465 0.815 1.00 64.30 O ATOM 947 CB TYR A 64 -1.359 3.282 -0.323 1.00 45.23 C ATOM 948 CG TYR A 64 0.060 3.130 -0.888 1.00 64.31 C ATOM 949 CD1 TYR A 64 1.137 3.839 -0.347 1.00 33.45 C ATOM 950 CD2 TYR A 64 0.326 2.262 -1.952 1.00 54.21 C ATOM 951 CE1 TYR A 64 2.417 3.681 -0.840 1.00 33.13 C ATOM 952 CE2 TYR A 64 1.605 2.104 -2.445 1.00 31.01 C ATOM 953 CZ TYR A 64 2.645 2.809 -1.889 1.00 63.33 C ATOM 954 OH TYR A 64 3.917 2.660 -2.401 1.00 23.54 O ATOM 0 H TYR A 64 -1.149 5.606 0.823 1.00 30.22 H new ATOM 0 HA TYR A 64 -2.030 4.681 -1.833 1.00 41.11 H new ATOM 0 HB2 TYR A 64 -1.308 3.252 0.765 1.00 45.23 H new ATOM 0 HB3 TYR A 64 -1.955 2.425 -0.637 1.00 45.23 H new ATOM 0 HD1 TYR A 64 0.965 4.523 0.471 1.00 33.45 H new ATOM 0 HD2 TYR A 64 -0.485 1.705 -2.396 1.00 54.21 H new ATOM 0 HE1 TYR A 64 3.237 4.236 -0.408 1.00 33.13 H new ATOM 0 HE2 TYR A 64 1.788 1.427 -3.267 1.00 31.01 H new ATOM 0 HH TYR A 64 4.539 3.231 -1.904 1.00 23.54 H new ATOM 964 N LEU A 65 -4.473 4.448 -1.366 1.00 44.15 N ATOM 965 CA LEU A 65 -5.932 4.320 -1.145 1.00 65.50 C ATOM 966 C LEU A 65 -6.368 2.835 -1.216 1.00 20.42 C ATOM 967 O LEU A 65 -6.182 2.165 -2.236 1.00 0.34 O ATOM 968 CB LEU A 65 -6.715 5.174 -2.183 1.00 5.15 C ATOM 969 CG LEU A 65 -8.276 5.029 -2.178 1.00 63.31 C ATOM 970 CD1 LEU A 65 -8.895 5.370 -0.801 1.00 11.21 C ATOM 971 CD2 LEU A 65 -8.907 5.874 -3.303 1.00 11.24 C ATOM 0 H LEU A 65 -4.209 4.494 -2.350 1.00 44.15 H new ATOM 0 HA LEU A 65 -6.164 4.694 -0.148 1.00 65.50 H new ATOM 0 HB2 LEU A 65 -6.470 6.223 -2.015 1.00 5.15 H new ATOM 0 HB3 LEU A 65 -6.352 4.917 -3.178 1.00 5.15 H new ATOM 0 HG LEU A 65 -8.503 3.980 -2.369 1.00 63.31 H new ATOM 0 HD11 LEU A 65 -9.978 5.254 -0.850 1.00 11.21 H new ATOM 0 HD12 LEU A 65 -8.492 4.697 -0.044 1.00 11.21 H new ATOM 0 HD13 LEU A 65 -8.652 6.399 -0.538 1.00 11.21 H new ATOM 0 HD21 LEU A 65 -9.991 5.758 -3.281 1.00 11.24 H new ATOM 0 HD22 LEU A 65 -8.651 6.923 -3.157 1.00 11.24 H new ATOM 0 HD23 LEU A 65 -8.526 5.538 -4.268 1.00 11.24 H new ATOM 983 N CYS A 66 -6.908 2.332 -0.094 1.00 2.24 N ATOM 984 CA CYS A 66 -7.559 1.010 -0.008 1.00 24.53 C ATOM 985 C CYS A 66 -9.081 1.154 -0.255 1.00 71.04 C ATOM 986 O CYS A 66 -9.863 1.370 0.676 1.00 1.42 O ATOM 987 CB CYS A 66 -7.278 0.401 1.384 1.00 42.12 C ATOM 988 SG CYS A 66 -8.111 -1.156 1.735 1.00 33.34 S ATOM 0 H CYS A 66 -6.906 2.837 0.792 1.00 2.24 H new ATOM 0 HA CYS A 66 -7.156 0.345 -0.772 1.00 24.53 H new ATOM 0 HB2 CYS A 66 -6.203 0.248 1.483 1.00 42.12 H new ATOM 0 HB3 CYS A 66 -7.568 1.127 2.144 1.00 42.12 H new ATOM 0 HG CYS A 66 -9.383 -1.031 1.498 1.00 33.34 H new ATOM 994 N ASP A 67 -9.481 1.067 -1.532 1.00 12.45 N ATOM 995 CA ASP A 67 -10.884 1.262 -1.972 1.00 63.43 C ATOM 996 C ASP A 67 -11.663 -0.078 -1.992 1.00 63.23 C ATOM 997 O ASP A 67 -11.447 -0.924 -2.864 1.00 22.21 O ATOM 998 CB ASP A 67 -10.879 1.936 -3.371 1.00 0.33 C ATOM 999 CG ASP A 67 -12.250 1.980 -4.074 1.00 42.12 C ATOM 1000 OD1 ASP A 67 -13.178 2.614 -3.538 1.00 10.51 O ATOM 1001 OD2 ASP A 67 -12.390 1.398 -5.178 1.00 12.03 O ATOM 0 H ASP A 67 -8.842 0.858 -2.299 1.00 12.45 H new ATOM 0 HA ASP A 67 -11.398 1.909 -1.261 1.00 63.43 H new ATOM 0 HB2 ASP A 67 -10.508 2.955 -3.266 1.00 0.33 H new ATOM 0 HB3 ASP A 67 -10.175 1.405 -4.012 1.00 0.33 H new ATOM 1006 N ALA A 68 -12.570 -0.250 -1.022 1.00 5.23 N ATOM 1007 CA ALA A 68 -13.427 -1.450 -0.901 1.00 23.04 C ATOM 1008 C ALA A 68 -14.923 -1.087 -1.089 1.00 34.12 C ATOM 1009 O ALA A 68 -15.296 0.080 -0.909 1.00 13.44 O ATOM 1010 CB ALA A 68 -13.201 -2.095 0.476 1.00 42.31 C ATOM 0 H ALA A 68 -12.736 0.441 -0.291 1.00 5.23 H new ATOM 0 HA ALA A 68 -13.157 -2.158 -1.685 1.00 23.04 H new ATOM 0 HB1 ALA A 68 -13.830 -2.980 0.571 1.00 42.31 H new ATOM 0 HB2 ALA A 68 -12.154 -2.382 0.576 1.00 42.31 H new ATOM 0 HB3 ALA A 68 -13.458 -1.381 1.259 1.00 42.31 H new ATOM 1016 N PRO A 69 -15.813 -2.075 -1.468 1.00 11.15 N ATOM 1017 CA PRO A 69 -17.294 -1.861 -1.468 1.00 11.24 C ATOM 1018 C PRO A 69 -17.828 -1.479 -0.055 1.00 24.41 C ATOM 1019 O PRO A 69 -18.804 -0.732 0.083 1.00 44.44 O ATOM 1020 CB PRO A 69 -17.861 -3.230 -1.949 1.00 23.23 C ATOM 1021 CG PRO A 69 -16.751 -4.213 -1.708 1.00 23.53 C ATOM 1022 CD PRO A 69 -15.468 -3.446 -1.946 1.00 75.34 C ATOM 0 HA PRO A 69 -17.596 -1.031 -2.107 1.00 11.24 H new ATOM 0 HB2 PRO A 69 -18.758 -3.503 -1.394 1.00 23.23 H new ATOM 0 HB3 PRO A 69 -18.136 -3.195 -3.003 1.00 23.23 H new ATOM 0 HG2 PRO A 69 -16.790 -4.606 -0.692 1.00 23.53 H new ATOM 0 HG3 PRO A 69 -16.829 -5.065 -2.383 1.00 23.53 H new ATOM 0 HD2 PRO A 69 -14.633 -3.871 -1.389 1.00 75.34 H new ATOM 0 HD3 PRO A 69 -15.184 -3.449 -2.998 1.00 75.34 H new ATOM 1030 N GLN A 70 -17.163 -2.016 0.981 1.00 11.35 N ATOM 1031 CA GLN A 70 -17.368 -1.629 2.390 1.00 70.35 C ATOM 1032 C GLN A 70 -16.166 -0.777 2.862 1.00 4.31 C ATOM 1033 O GLN A 70 -15.087 -1.324 3.108 1.00 22.13 O ATOM 1034 CB GLN A 70 -17.504 -2.894 3.276 1.00 65.01 C ATOM 1035 CG GLN A 70 -18.720 -3.784 2.974 1.00 0.14 C ATOM 1036 CD GLN A 70 -18.740 -5.040 3.847 1.00 5.43 C ATOM 1037 OE1 GLN A 70 -19.273 -5.036 4.950 1.00 74.10 O ATOM 1038 NE2 GLN A 70 -18.145 -6.114 3.371 1.00 51.01 N ATOM 0 H GLN A 70 -16.457 -2.742 0.863 1.00 11.35 H new ATOM 0 HA GLN A 70 -18.284 -1.045 2.477 1.00 70.35 H new ATOM 0 HB2 GLN A 70 -16.600 -3.493 3.165 1.00 65.01 H new ATOM 0 HB3 GLN A 70 -17.554 -2.582 4.319 1.00 65.01 H new ATOM 0 HG2 GLN A 70 -19.635 -3.215 3.136 1.00 0.14 H new ATOM 0 HG3 GLN A 70 -18.706 -4.073 1.923 1.00 0.14 H new ATOM 0 HE21 GLN A 70 -17.709 -6.089 2.449 1.00 51.01 H new ATOM 0 HE22 GLN A 70 -18.120 -6.971 3.924 1.00 51.01 H new ATOM 1047 N ASP A 71 -16.362 0.562 2.919 1.00 10.55 N ATOM 1048 CA ASP A 71 -15.367 1.545 3.439 1.00 4.34 C ATOM 1049 C ASP A 71 -14.134 1.750 2.502 1.00 55.35 C ATOM 1050 O ASP A 71 -13.641 0.825 1.865 1.00 55.33 O ATOM 1051 CB ASP A 71 -14.924 1.173 4.889 1.00 44.24 C ATOM 1052 CG ASP A 71 -13.902 2.145 5.492 1.00 33.54 C ATOM 1053 OD1 ASP A 71 -14.240 3.335 5.658 1.00 21.32 O ATOM 1054 OD2 ASP A 71 -12.766 1.726 5.815 1.00 53.21 O ATOM 0 H ASP A 71 -17.226 1.001 2.602 1.00 10.55 H new ATOM 0 HA ASP A 71 -15.878 2.508 3.463 1.00 4.34 H new ATOM 0 HB2 ASP A 71 -15.804 1.141 5.531 1.00 44.24 H new ATOM 0 HB3 ASP A 71 -14.498 0.170 4.883 1.00 44.24 H new ATOM 1059 N SER A 72 -13.647 3.006 2.444 1.00 1.34 N ATOM 1060 CA SER A 72 -12.395 3.377 1.742 1.00 24.20 C ATOM 1061 C SER A 72 -11.401 3.960 2.765 1.00 4.33 C ATOM 1062 O SER A 72 -11.695 4.962 3.427 1.00 4.15 O ATOM 1063 CB SER A 72 -12.676 4.398 0.611 1.00 72.25 C ATOM 1064 OG SER A 72 -13.265 5.598 1.106 1.00 11.40 O ATOM 0 H SER A 72 -14.112 3.799 2.885 1.00 1.34 H new ATOM 0 HA SER A 72 -11.965 2.488 1.282 1.00 24.20 H new ATOM 0 HB2 SER A 72 -11.744 4.637 0.099 1.00 72.25 H new ATOM 0 HB3 SER A 72 -13.339 3.947 -0.127 1.00 72.25 H new ATOM 0 HG SER A 72 -12.895 5.804 1.990 1.00 11.40 H new ATOM 1070 N ARG A 73 -10.227 3.328 2.895 1.00 63.10 N ATOM 1071 CA ARG A 73 -9.220 3.694 3.912 1.00 32.13 C ATOM 1072 C ARG A 73 -7.977 4.355 3.262 1.00 11.34 C ATOM 1073 O ARG A 73 -7.626 4.041 2.124 1.00 52.35 O ATOM 1074 CB ARG A 73 -8.806 2.416 4.703 1.00 24.15 C ATOM 1075 CG ARG A 73 -8.264 2.691 6.123 1.00 15.43 C ATOM 1076 CD ARG A 73 -9.353 2.629 7.231 1.00 25.44 C ATOM 1077 NE ARG A 73 -10.593 3.365 6.888 1.00 13.50 N ATOM 1078 CZ ARG A 73 -11.103 4.381 7.550 1.00 54.21 C ATOM 1079 NH1 ARG A 73 -10.447 4.970 8.497 1.00 51.03 N ATOM 1080 NH2 ARG A 73 -12.270 4.829 7.227 1.00 53.35 N ATOM 0 H ARG A 73 -9.944 2.549 2.301 1.00 63.10 H new ATOM 0 HA ARG A 73 -9.658 4.423 4.594 1.00 32.13 H new ATOM 0 HB2 ARG A 73 -9.669 1.755 4.779 1.00 24.15 H new ATOM 0 HB3 ARG A 73 -8.045 1.882 4.134 1.00 24.15 H new ATOM 0 HG2 ARG A 73 -7.484 1.965 6.352 1.00 15.43 H new ATOM 0 HG3 ARG A 73 -7.797 3.676 6.140 1.00 15.43 H new ATOM 0 HD2 ARG A 73 -9.602 1.586 7.426 1.00 25.44 H new ATOM 0 HD3 ARG A 73 -8.943 3.037 8.155 1.00 25.44 H new ATOM 0 HE ARG A 73 -11.100 3.054 6.059 1.00 13.50 H new ATOM 0 HH11 ARG A 73 -9.511 4.649 8.746 1.00 51.03 H new ATOM 0 HH12 ARG A 73 -10.865 5.756 8.995 1.00 51.03 H new ATOM 0 HH21 ARG A 73 -12.789 4.396 6.464 1.00 53.35 H new ATOM 0 HH22 ARG A 73 -12.673 5.616 7.735 1.00 53.35 H new ATOM 1094 N ILE A 74 -7.314 5.270 3.997 1.00 11.15 N ATOM 1095 CA ILE A 74 -6.065 5.937 3.535 1.00 74.13 C ATOM 1096 C ILE A 74 -4.836 5.390 4.309 1.00 61.25 C ATOM 1097 O ILE A 74 -4.869 5.254 5.533 1.00 61.23 O ATOM 1098 CB ILE A 74 -6.140 7.507 3.695 1.00 63.31 C ATOM 1099 CG1 ILE A 74 -7.359 8.094 2.910 1.00 74.03 C ATOM 1100 CG2 ILE A 74 -4.811 8.192 3.251 1.00 20.02 C ATOM 1101 CD1 ILE A 74 -7.305 7.900 1.401 1.00 30.45 C ATOM 0 H ILE A 74 -7.621 5.571 4.922 1.00 11.15 H new ATOM 0 HA ILE A 74 -5.955 5.712 2.474 1.00 74.13 H new ATOM 0 HB ILE A 74 -6.283 7.721 4.754 1.00 63.31 H new ATOM 0 HG12 ILE A 74 -8.272 7.633 3.288 1.00 74.03 H new ATOM 0 HG13 ILE A 74 -7.429 9.161 3.122 1.00 74.03 H new ATOM 0 HG21 ILE A 74 -4.899 9.271 3.375 1.00 20.02 H new ATOM 0 HG22 ILE A 74 -3.989 7.822 3.864 1.00 20.02 H new ATOM 0 HG23 ILE A 74 -4.615 7.962 2.204 1.00 20.02 H new ATOM 0 HD11 ILE A 74 -8.192 8.340 0.946 1.00 30.45 H new ATOM 0 HD12 ILE A 74 -6.414 8.386 1.003 1.00 30.45 H new ATOM 0 HD13 ILE A 74 -7.270 6.835 1.172 1.00 30.45 H new ATOM 1113 N PHE A 75 -3.762 5.083 3.564 1.00 30.43 N ATOM 1114 CA PHE A 75 -2.488 4.553 4.100 1.00 43.11 C ATOM 1115 C PHE A 75 -1.358 5.575 3.873 1.00 32.42 C ATOM 1116 O PHE A 75 -0.872 5.737 2.750 1.00 44.44 O ATOM 1117 CB PHE A 75 -2.126 3.192 3.420 1.00 52.03 C ATOM 1118 CG PHE A 75 -2.962 1.995 3.883 1.00 40.34 C ATOM 1119 CD1 PHE A 75 -4.353 1.997 3.763 1.00 15.32 C ATOM 1120 CD2 PHE A 75 -2.358 0.873 4.461 1.00 3.14 C ATOM 1121 CE1 PHE A 75 -5.105 0.928 4.197 1.00 61.21 C ATOM 1122 CE2 PHE A 75 -3.117 -0.196 4.896 1.00 51.42 C ATOM 1123 CZ PHE A 75 -4.489 -0.163 4.767 1.00 21.42 C ATOM 0 H PHE A 75 -3.750 5.197 2.550 1.00 30.43 H new ATOM 0 HA PHE A 75 -2.606 4.382 5.170 1.00 43.11 H new ATOM 0 HB2 PHE A 75 -2.240 3.300 2.341 1.00 52.03 H new ATOM 0 HB3 PHE A 75 -1.074 2.977 3.609 1.00 52.03 H new ATOM 0 HD1 PHE A 75 -4.847 2.850 3.323 1.00 15.32 H new ATOM 0 HD2 PHE A 75 -1.284 0.842 4.568 1.00 3.14 H new ATOM 0 HE1 PHE A 75 -6.180 0.946 4.090 1.00 61.21 H new ATOM 0 HE2 PHE A 75 -2.636 -1.057 5.337 1.00 51.42 H new ATOM 0 HZ PHE A 75 -5.083 -0.996 5.114 1.00 21.42 H new ATOM 1133 N LEU A 76 -0.960 6.278 4.942 1.00 72.21 N ATOM 1134 CA LEU A 76 0.171 7.227 4.900 1.00 65.30 C ATOM 1135 C LEU A 76 1.499 6.467 5.103 1.00 35.51 C ATOM 1136 O LEU A 76 1.745 5.905 6.171 1.00 32.35 O ATOM 1137 CB LEU A 76 -0.019 8.333 5.972 1.00 24.44 C ATOM 1138 CG LEU A 76 -1.247 9.276 5.760 1.00 74.23 C ATOM 1139 CD1 LEU A 76 -1.350 10.333 6.883 1.00 5.40 C ATOM 1140 CD2 LEU A 76 -1.205 9.937 4.364 1.00 24.11 C ATOM 0 H LEU A 76 -1.407 6.209 5.856 1.00 72.21 H new ATOM 0 HA LEU A 76 0.203 7.711 3.924 1.00 65.30 H new ATOM 0 HB2 LEU A 76 -0.114 7.856 6.947 1.00 24.44 H new ATOM 0 HB3 LEU A 76 0.884 8.943 6.003 1.00 24.44 H new ATOM 0 HG LEU A 76 -2.147 8.663 5.810 1.00 74.23 H new ATOM 0 HD11 LEU A 76 -2.215 10.971 6.704 1.00 5.40 H new ATOM 0 HD12 LEU A 76 -1.462 9.832 7.845 1.00 5.40 H new ATOM 0 HD13 LEU A 76 -0.446 10.942 6.894 1.00 5.40 H new ATOM 0 HD21 LEU A 76 -2.071 10.588 4.243 1.00 24.11 H new ATOM 0 HD22 LEU A 76 -0.293 10.526 4.267 1.00 24.11 H new ATOM 0 HD23 LEU A 76 -1.222 9.165 3.595 1.00 24.11 H new ATOM 1152 N VAL A 77 2.330 6.415 4.054 1.00 35.44 N ATOM 1153 CA VAL A 77 3.621 5.696 4.083 1.00 2.11 C ATOM 1154 C VAL A 77 4.809 6.677 4.144 1.00 25.03 C ATOM 1155 O VAL A 77 4.890 7.629 3.360 1.00 73.35 O ATOM 1156 CB VAL A 77 3.760 4.749 2.840 1.00 44.34 C ATOM 1157 CG1 VAL A 77 5.161 4.085 2.770 1.00 41.02 C ATOM 1158 CG2 VAL A 77 2.634 3.684 2.850 1.00 53.10 C ATOM 0 H VAL A 77 2.132 6.867 3.161 1.00 35.44 H new ATOM 0 HA VAL A 77 3.638 5.088 4.988 1.00 2.11 H new ATOM 0 HB VAL A 77 3.656 5.358 1.942 1.00 44.34 H new ATOM 0 HG11 VAL A 77 5.214 3.438 1.895 1.00 41.02 H new ATOM 0 HG12 VAL A 77 5.927 4.857 2.697 1.00 41.02 H new ATOM 0 HG13 VAL A 77 5.328 3.493 3.670 1.00 41.02 H new ATOM 0 HG21 VAL A 77 2.741 3.033 1.982 1.00 53.10 H new ATOM 0 HG22 VAL A 77 2.704 3.089 3.761 1.00 53.10 H new ATOM 0 HG23 VAL A 77 1.664 4.180 2.814 1.00 53.10 H new ATOM 1168 N SER A 78 5.732 6.414 5.083 1.00 53.22 N ATOM 1169 CA SER A 78 6.982 7.187 5.238 1.00 32.51 C ATOM 1170 C SER A 78 8.198 6.244 5.230 1.00 41.33 C ATOM 1171 O SER A 78 8.420 5.488 6.181 1.00 20.44 O ATOM 1172 CB SER A 78 6.942 8.002 6.547 1.00 73.44 C ATOM 1173 OG SER A 78 5.880 8.942 6.539 1.00 2.51 O ATOM 0 H SER A 78 5.635 5.657 5.760 1.00 53.22 H new ATOM 0 HA SER A 78 7.075 7.877 4.399 1.00 32.51 H new ATOM 0 HB2 SER A 78 6.826 7.327 7.395 1.00 73.44 H new ATOM 0 HB3 SER A 78 7.890 8.523 6.682 1.00 73.44 H new ATOM 0 HG SER A 78 5.879 9.442 7.382 1.00 2.51 H new ATOM 1179 N VAL A 79 8.977 6.291 4.140 1.00 34.21 N ATOM 1180 CA VAL A 79 10.223 5.514 4.000 1.00 50.52 C ATOM 1181 C VAL A 79 11.425 6.388 4.441 1.00 21.32 C ATOM 1182 O VAL A 79 11.813 7.330 3.735 1.00 62.02 O ATOM 1183 CB VAL A 79 10.410 5.016 2.518 1.00 14.34 C ATOM 1184 CG1 VAL A 79 11.712 4.194 2.359 1.00 21.01 C ATOM 1185 CG2 VAL A 79 9.171 4.207 2.038 1.00 53.02 C ATOM 0 H VAL A 79 8.763 6.869 3.327 1.00 34.21 H new ATOM 0 HA VAL A 79 10.167 4.633 4.639 1.00 50.52 H new ATOM 0 HB VAL A 79 10.499 5.897 1.883 1.00 14.34 H new ATOM 0 HG11 VAL A 79 11.811 3.865 1.324 1.00 21.01 H new ATOM 0 HG12 VAL A 79 12.568 4.813 2.626 1.00 21.01 H new ATOM 0 HG13 VAL A 79 11.675 3.324 3.014 1.00 21.01 H new ATOM 0 HG21 VAL A 79 9.328 3.876 1.011 1.00 53.02 H new ATOM 0 HG22 VAL A 79 9.032 3.339 2.682 1.00 53.02 H new ATOM 0 HG23 VAL A 79 8.284 4.839 2.084 1.00 53.02 H new ATOM 1195 N GLU A 80 11.994 6.069 5.616 1.00 55.13 N ATOM 1196 CA GLU A 80 13.043 6.885 6.264 1.00 15.41 C ATOM 1197 C GLU A 80 13.806 6.075 7.345 1.00 23.23 C ATOM 1198 O GLU A 80 13.482 4.906 7.598 1.00 33.13 O ATOM 1199 CB GLU A 80 12.399 8.159 6.887 1.00 43.14 C ATOM 1200 CG GLU A 80 11.313 7.872 7.947 1.00 32.32 C ATOM 1201 CD GLU A 80 10.606 9.149 8.428 1.00 42.54 C ATOM 1202 OE1 GLU A 80 9.672 9.615 7.738 1.00 24.44 O ATOM 1203 OE2 GLU A 80 10.986 9.708 9.478 1.00 23.22 O ATOM 0 H GLU A 80 11.741 5.236 6.147 1.00 55.13 H new ATOM 0 HA GLU A 80 13.769 7.180 5.506 1.00 15.41 H new ATOM 0 HB2 GLU A 80 13.184 8.762 7.343 1.00 43.14 H new ATOM 0 HB3 GLU A 80 11.961 8.757 6.088 1.00 43.14 H new ATOM 0 HG2 GLU A 80 10.575 7.187 7.529 1.00 32.32 H new ATOM 0 HG3 GLU A 80 11.767 7.369 8.801 1.00 32.32 H new ATOM 1210 N GLU A 81 14.813 6.732 7.974 1.00 75.12 N ATOM 1211 CA GLU A 81 15.710 6.128 8.996 1.00 11.52 C ATOM 1212 C GLU A 81 16.524 4.931 8.399 1.00 14.31 C ATOM 1213 O GLU A 81 16.138 3.767 8.553 1.00 5.24 O ATOM 1214 CB GLU A 81 14.910 5.722 10.277 1.00 64.42 C ATOM 1215 CG GLU A 81 15.762 5.164 11.435 1.00 73.25 C ATOM 1216 CD GLU A 81 14.917 4.702 12.635 1.00 25.02 C ATOM 1217 OE1 GLU A 81 14.195 3.684 12.507 1.00 14.53 O ATOM 1218 OE2 GLU A 81 14.971 5.339 13.706 1.00 25.32 O ATOM 0 H GLU A 81 15.029 7.711 7.784 1.00 75.12 H new ATOM 0 HA GLU A 81 16.436 6.882 9.300 1.00 11.52 H new ATOM 0 HB2 GLU A 81 14.364 6.594 10.637 1.00 64.42 H new ATOM 0 HB3 GLU A 81 14.168 4.973 10.000 1.00 64.42 H new ATOM 0 HG2 GLU A 81 16.355 4.325 11.071 1.00 73.25 H new ATOM 0 HG3 GLU A 81 16.463 5.931 11.765 1.00 73.25 H new ATOM 1225 N PRO A 82 17.638 5.219 7.640 1.00 3.52 N ATOM 1226 CA PRO A 82 18.460 4.172 6.951 1.00 24.53 C ATOM 1227 C PRO A 82 19.282 3.250 7.925 1.00 34.12 C ATOM 1228 O PRO A 82 18.898 2.068 8.113 1.00 36.98 O ATOM 1229 CB PRO A 82 19.368 5.008 6.002 1.00 22.42 C ATOM 1230 CG PRO A 82 19.472 6.360 6.654 1.00 74.10 C ATOM 1231 CD PRO A 82 18.150 6.590 7.356 1.00 11.24 C ATOM 1232 OXT PRO A 82 20.307 3.698 8.492 1.00 36.98 O ATOM 0 HA PRO A 82 17.838 3.447 6.427 1.00 24.53 H new ATOM 0 HB2 PRO A 82 20.350 4.548 5.888 1.00 22.42 H new ATOM 0 HB3 PRO A 82 18.934 5.083 5.005 1.00 22.42 H new ATOM 0 HG2 PRO A 82 20.300 6.388 7.363 1.00 74.10 H new ATOM 0 HG3 PRO A 82 19.660 7.137 5.913 1.00 74.10 H new ATOM 0 HD2 PRO A 82 18.282 7.163 8.274 1.00 11.24 H new ATOM 0 HD3 PRO A 82 17.458 7.150 6.727 1.00 11.24 H new