USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 738 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 20 GLN : amide:sc= 0.985 K(o=2.1,f=0.24) USER MOD Set 1.2: A 22 HIS : no HE2:sc= 1.11 K(o=2.1,f=-2.9!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.124 (180deg=-0.541) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.01) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 7 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.0092) USER MOD Single : A 8 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.029) USER MOD Single : A 9 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.15) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.3!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 1.12 K(o=1.1,f=-0.29) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -0.18 K(o=-0.18,f=-6.1!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.504 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0.0079) USER MOD Single : A 85 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 91 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.7!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.626 54.554 38.693 1.00 0.00 N ATOM 2 CA MET A 1 9.023 55.745 38.052 1.00 52.33 C ATOM 3 C MET A 1 9.518 55.888 36.613 1.00 0.32 C ATOM 4 O MET A 1 10.720 55.962 36.366 1.00 62.24 O ATOM 5 CB MET A 1 9.362 57.006 38.858 1.00 24.31 C ATOM 6 CG MET A 1 8.763 58.279 38.285 1.00 4.33 C ATOM 7 SD MET A 1 9.074 59.730 39.319 1.00 21.12 S ATOM 8 CE MET A 1 10.863 59.791 39.288 1.00 4.44 C ATOM 0 H1 MET A 1 9.279 54.472 39.670 1.00 0.00 H new ATOM 0 H2 MET A 1 9.362 53.701 38.159 1.00 0.00 H new ATOM 0 H3 MET A 1 10.661 54.651 38.701 1.00 0.00 H new ATOM 0 HA MET A 1 7.941 55.619 38.033 1.00 52.33 H new ATOM 0 HB2 MET A 1 9.009 56.878 39.881 1.00 24.31 H new ATOM 0 HB3 MET A 1 10.445 57.115 38.906 1.00 24.31 H new ATOM 0 HG2 MET A 1 9.174 58.453 37.291 1.00 4.33 H new ATOM 0 HG3 MET A 1 7.688 58.147 38.166 1.00 4.33 H new ATOM 0 HE1 MET A 1 11.199 60.781 39.597 1.00 4.44 H new ATOM 0 HE2 MET A 1 11.264 59.042 39.971 1.00 4.44 H new ATOM 0 HE3 MET A 1 11.217 59.587 38.277 1.00 4.44 H new ATOM 20 N GLY A 2 8.587 55.912 35.666 1.00 14.21 N ATOM 21 CA GLY A 2 8.951 56.055 34.272 1.00 61.11 C ATOM 22 C GLY A 2 8.983 54.719 33.562 1.00 72.10 C ATOM 23 O GLY A 2 10.027 54.074 33.489 1.00 71.24 O ATOM 0 H GLY A 2 7.585 55.835 35.841 1.00 14.21 H new ATOM 0 HA2 GLY A 2 8.239 56.714 33.776 1.00 61.11 H new ATOM 0 HA3 GLY A 2 9.929 56.530 34.198 1.00 61.11 H new ATOM 27 N SER A 3 7.835 54.291 33.060 1.00 51.33 N ATOM 28 CA SER A 3 7.732 53.022 32.364 1.00 10.22 C ATOM 29 C SER A 3 7.348 53.234 30.902 1.00 3.13 C ATOM 30 O SER A 3 6.284 53.779 30.602 1.00 42.05 O ATOM 31 CB SER A 3 6.696 52.133 33.052 1.00 12.30 C ATOM 32 OG SER A 3 7.017 51.928 34.420 1.00 2.33 O ATOM 0 H SER A 3 6.958 54.809 33.123 1.00 51.33 H new ATOM 0 HA SER A 3 8.705 52.532 32.396 1.00 10.22 H new ATOM 0 HB2 SER A 3 5.710 52.592 32.973 1.00 12.30 H new ATOM 0 HB3 SER A 3 6.642 51.172 32.541 1.00 12.30 H new ATOM 0 HG SER A 3 6.336 51.358 34.834 1.00 2.33 H new ATOM 38 N SER A 4 8.217 52.815 30.000 1.00 4.41 N ATOM 39 CA SER A 4 7.942 52.897 28.575 1.00 43.33 C ATOM 40 C SER A 4 7.591 51.512 28.040 1.00 32.32 C ATOM 41 O SER A 4 8.428 50.607 28.038 1.00 34.23 O ATOM 42 CB SER A 4 9.157 53.460 27.841 1.00 13.15 C ATOM 43 OG SER A 4 9.579 54.679 28.427 1.00 22.42 O ATOM 0 H SER A 4 9.125 52.412 30.230 1.00 4.41 H new ATOM 0 HA SER A 4 7.096 53.564 28.408 1.00 43.33 H new ATOM 0 HB2 SER A 4 9.972 52.737 27.869 1.00 13.15 H new ATOM 0 HB3 SER A 4 8.911 53.622 26.792 1.00 13.15 H new ATOM 0 HG SER A 4 10.359 55.022 27.943 1.00 22.42 H new ATOM 49 N HIS A 5 6.352 51.340 27.601 1.00 64.34 N ATOM 50 CA HIS A 5 5.884 50.034 27.144 1.00 61.01 C ATOM 51 C HIS A 5 5.044 50.150 25.877 1.00 23.33 C ATOM 52 O HIS A 5 3.902 50.608 25.908 1.00 73.42 O ATOM 53 CB HIS A 5 5.105 49.295 28.250 1.00 42.23 C ATOM 54 CG HIS A 5 4.152 50.150 29.038 1.00 41.04 C ATOM 55 ND1 HIS A 5 4.421 50.579 30.318 1.00 23.52 N ATOM 56 CD2 HIS A 5 2.928 50.644 28.731 1.00 51.40 C ATOM 57 CE1 HIS A 5 3.408 51.295 30.765 1.00 5.11 C ATOM 58 NE2 HIS A 5 2.488 51.352 29.823 1.00 11.12 N ATOM 0 H HIS A 5 5.654 52.082 27.551 1.00 64.34 H new ATOM 0 HA HIS A 5 6.769 49.444 26.904 1.00 61.01 H new ATOM 0 HB2 HIS A 5 4.545 48.478 27.795 1.00 42.23 H new ATOM 0 HB3 HIS A 5 5.820 48.846 28.939 1.00 42.23 H new ATOM 0 HD2 HIS A 5 2.397 50.507 27.801 1.00 51.40 H new ATOM 0 HE1 HIS A 5 3.343 51.757 31.739 1.00 5.11 H new ATOM 0 HE2 HIS A 5 1.596 51.841 29.893 1.00 11.12 H new ATOM 67 N HIS A 6 5.638 49.755 24.763 1.00 54.23 N ATOM 68 CA HIS A 6 4.941 49.692 23.484 1.00 2.33 C ATOM 69 C HIS A 6 5.421 48.482 22.694 1.00 10.43 C ATOM 70 O HIS A 6 6.452 48.528 22.019 1.00 32.43 O ATOM 71 CB HIS A 6 5.139 50.984 22.682 1.00 4.31 C ATOM 72 CG HIS A 6 4.236 52.100 23.116 1.00 73.31 C ATOM 73 ND1 HIS A 6 4.671 53.199 23.827 1.00 73.23 N ATOM 74 CD2 HIS A 6 2.908 52.277 22.932 1.00 63.45 C ATOM 75 CE1 HIS A 6 3.647 54.000 24.061 1.00 23.34 C ATOM 76 NE2 HIS A 6 2.566 53.462 23.530 1.00 62.21 N ATOM 0 H HIS A 6 6.616 49.469 24.717 1.00 54.23 H new ATOM 0 HA HIS A 6 3.873 49.587 23.675 1.00 2.33 H new ATOM 0 HB2 HIS A 6 6.176 51.307 22.778 1.00 4.31 H new ATOM 0 HB3 HIS A 6 4.966 50.777 21.626 1.00 4.31 H new ATOM 0 HD2 HIS A 6 2.240 51.608 22.410 1.00 63.45 H new ATOM 0 HE1 HIS A 6 3.688 54.937 24.597 1.00 23.34 H new ATOM 0 HE2 HIS A 6 1.628 53.863 23.560 1.00 62.21 H new ATOM 85 N HIS A 7 4.682 47.391 22.819 1.00 41.34 N ATOM 86 CA HIS A 7 5.046 46.133 22.178 1.00 0.21 C ATOM 87 C HIS A 7 4.758 46.182 20.678 1.00 34.05 C ATOM 88 O HIS A 7 3.833 46.869 20.238 1.00 72.53 O ATOM 89 CB HIS A 7 4.293 44.961 22.832 1.00 75.52 C ATOM 90 CG HIS A 7 2.820 44.922 22.541 1.00 22.53 C ATOM 91 ND1 HIS A 7 2.169 43.782 22.134 1.00 20.24 N ATOM 92 CD2 HIS A 7 1.872 45.887 22.600 1.00 75.40 C ATOM 93 CE1 HIS A 7 0.892 44.047 21.951 1.00 54.03 C ATOM 94 NE2 HIS A 7 0.684 45.317 22.228 1.00 42.02 N ATOM 0 H HIS A 7 3.820 47.350 23.362 1.00 41.34 H new ATOM 0 HA HIS A 7 6.117 45.979 22.313 1.00 0.21 H new ATOM 0 HB2 HIS A 7 4.741 44.026 22.496 1.00 75.52 H new ATOM 0 HB3 HIS A 7 4.435 45.012 23.911 1.00 75.52 H new ATOM 0 HD2 HIS A 7 2.025 46.917 22.888 1.00 75.40 H new ATOM 0 HE1 HIS A 7 0.141 43.341 21.628 1.00 54.03 H new ATOM 0 HE2 HIS A 7 -0.214 45.797 22.174 1.00 42.02 H new ATOM 103 N HIS A 8 5.552 45.452 19.899 1.00 41.03 N ATOM 104 CA HIS A 8 5.356 45.385 18.454 1.00 73.31 C ATOM 105 C HIS A 8 6.196 44.263 17.836 1.00 30.13 C ATOM 106 O HIS A 8 7.394 44.149 18.091 1.00 3.04 O ATOM 107 CB HIS A 8 5.678 46.737 17.783 1.00 12.33 C ATOM 108 CG HIS A 8 7.122 47.153 17.845 1.00 41.44 C ATOM 109 ND1 HIS A 8 7.805 47.648 16.757 1.00 2.50 N ATOM 110 CD2 HIS A 8 8.006 47.161 18.874 1.00 61.11 C ATOM 111 CE1 HIS A 8 9.042 47.936 17.109 1.00 23.25 C ATOM 112 NE2 HIS A 8 9.195 47.651 18.389 1.00 24.30 N ATOM 0 H HIS A 8 6.337 44.899 20.244 1.00 41.03 H new ATOM 0 HA HIS A 8 4.304 45.161 18.275 1.00 73.31 H new ATOM 0 HB2 HIS A 8 5.375 46.687 16.737 1.00 12.33 H new ATOM 0 HB3 HIS A 8 5.072 47.512 18.253 1.00 12.33 H new ATOM 0 HD2 HIS A 8 7.811 46.841 19.887 1.00 61.11 H new ATOM 0 HE1 HIS A 8 9.804 48.338 16.458 1.00 23.25 H new ATOM 0 HE2 HIS A 8 10.052 47.774 18.928 1.00 24.30 H new ATOM 121 N HIS A 9 5.540 43.425 17.049 1.00 43.41 N ATOM 122 CA HIS A 9 6.209 42.359 16.312 1.00 34.02 C ATOM 123 C HIS A 9 5.520 42.152 14.964 1.00 44.11 C ATOM 124 O HIS A 9 4.763 41.204 14.762 1.00 2.04 O ATOM 125 CB HIS A 9 6.264 41.052 17.128 1.00 71.42 C ATOM 126 CG HIS A 9 4.944 40.570 17.669 1.00 71.03 C ATOM 127 ND1 HIS A 9 4.471 40.920 18.914 1.00 20.33 N ATOM 128 CD2 HIS A 9 4.009 39.745 17.136 1.00 71.12 C ATOM 129 CE1 HIS A 9 3.304 40.336 19.119 1.00 54.32 C ATOM 130 NE2 HIS A 9 3.001 39.616 18.055 1.00 21.43 N ATOM 0 H HIS A 9 4.531 43.462 16.902 1.00 43.41 H new ATOM 0 HA HIS A 9 7.242 42.657 16.132 1.00 34.02 H new ATOM 0 HB2 HIS A 9 6.687 40.269 16.499 1.00 71.42 H new ATOM 0 HB3 HIS A 9 6.949 41.194 17.964 1.00 71.42 H new ATOM 0 HD2 HIS A 9 4.051 39.275 16.164 1.00 71.12 H new ATOM 0 HE1 HIS A 9 2.699 40.432 20.008 1.00 54.32 H new ATOM 0 HE2 HIS A 9 2.156 39.056 17.937 1.00 21.43 H new ATOM 139 N HIS A 10 5.780 43.060 14.042 1.00 14.25 N ATOM 140 CA HIS A 10 5.058 43.080 12.778 1.00 41.34 C ATOM 141 C HIS A 10 5.633 42.073 11.788 1.00 65.44 C ATOM 142 O HIS A 10 6.525 42.392 11.005 1.00 60.42 O ATOM 143 CB HIS A 10 5.062 44.489 12.184 1.00 41.13 C ATOM 144 CG HIS A 10 4.238 44.630 10.943 1.00 31.34 C ATOM 145 ND1 HIS A 10 2.877 44.428 10.918 1.00 11.34 N ATOM 146 CD2 HIS A 10 4.593 44.960 9.682 1.00 62.05 C ATOM 147 CE1 HIS A 10 2.428 44.630 9.693 1.00 42.24 C ATOM 148 NE2 HIS A 10 3.449 44.955 8.922 1.00 11.33 N ATOM 0 H HIS A 10 6.483 43.792 14.141 1.00 14.25 H new ATOM 0 HA HIS A 10 4.027 42.789 12.978 1.00 41.34 H new ATOM 0 HB2 HIS A 10 4.693 45.189 12.934 1.00 41.13 H new ATOM 0 HB3 HIS A 10 6.090 44.774 11.959 1.00 41.13 H new ATOM 0 HD2 HIS A 10 5.591 45.186 9.336 1.00 62.05 H new ATOM 0 HE1 HIS A 10 1.399 44.544 9.375 1.00 42.24 H new ATOM 0 HE2 HIS A 10 3.397 45.167 7.926 1.00 11.33 H new ATOM 157 N SER A 11 5.137 40.851 11.864 1.00 72.25 N ATOM 158 CA SER A 11 5.486 39.812 10.906 1.00 72.22 C ATOM 159 C SER A 11 4.206 39.157 10.402 1.00 61.15 C ATOM 160 O SER A 11 3.397 38.682 11.201 1.00 44.42 O ATOM 161 CB SER A 11 6.397 38.766 11.557 1.00 30.52 C ATOM 162 OG SER A 11 7.477 39.377 12.249 1.00 52.43 O ATOM 0 H SER A 11 4.484 40.550 12.587 1.00 72.25 H new ATOM 0 HA SER A 11 6.026 40.256 10.069 1.00 72.22 H new ATOM 0 HB2 SER A 11 5.817 38.157 12.250 1.00 30.52 H new ATOM 0 HB3 SER A 11 6.787 38.094 10.792 1.00 30.52 H new ATOM 0 HG SER A 11 8.039 38.684 12.655 1.00 52.43 H new ATOM 168 N SER A 12 3.994 39.153 9.094 1.00 40.32 N ATOM 169 CA SER A 12 2.752 38.625 8.552 1.00 54.11 C ATOM 170 C SER A 12 2.979 37.734 7.333 1.00 72.41 C ATOM 171 O SER A 12 3.261 38.216 6.234 1.00 11.45 O ATOM 172 CB SER A 12 1.801 39.774 8.201 1.00 71.10 C ATOM 173 OG SER A 12 0.505 39.294 7.866 1.00 35.44 O ATOM 0 H SER A 12 4.654 39.503 8.399 1.00 40.32 H new ATOM 0 HA SER A 12 2.302 38.001 9.324 1.00 54.11 H new ATOM 0 HB2 SER A 12 1.729 40.459 9.046 1.00 71.10 H new ATOM 0 HB3 SER A 12 2.208 40.341 7.364 1.00 71.10 H new ATOM 0 HG SER A 12 -0.078 40.051 7.649 1.00 35.44 H new ATOM 179 N GLY A 13 2.862 36.430 7.554 1.00 75.12 N ATOM 180 CA GLY A 13 2.776 35.481 6.461 1.00 71.30 C ATOM 181 C GLY A 13 4.073 35.258 5.704 1.00 64.35 C ATOM 182 O GLY A 13 5.153 35.667 6.137 1.00 43.41 O ATOM 0 H GLY A 13 2.825 36.010 8.483 1.00 75.12 H new ATOM 0 HA2 GLY A 13 2.434 34.524 6.856 1.00 71.30 H new ATOM 0 HA3 GLY A 13 2.017 35.826 5.759 1.00 71.30 H new ATOM 186 N ARG A 14 3.936 34.599 4.557 1.00 60.41 N ATOM 187 CA ARG A 14 5.051 34.256 3.685 1.00 1.45 C ATOM 188 C ARG A 14 4.505 33.665 2.392 1.00 15.20 C ATOM 189 O ARG A 14 3.290 33.591 2.208 1.00 13.12 O ATOM 190 CB ARG A 14 5.988 33.244 4.357 1.00 65.53 C ATOM 191 CG ARG A 14 5.312 31.930 4.733 1.00 24.44 C ATOM 192 CD ARG A 14 6.321 30.889 5.191 1.00 61.22 C ATOM 193 NE ARG A 14 7.127 31.348 6.318 1.00 0.54 N ATOM 194 CZ ARG A 14 7.749 30.535 7.166 1.00 20.04 C ATOM 195 NH1 ARG A 14 7.688 29.215 7.003 1.00 61.10 N ATOM 196 NH2 ARG A 14 8.447 31.047 8.171 1.00 35.21 N ATOM 0 H ARG A 14 3.033 34.284 4.203 1.00 60.41 H new ATOM 0 HA ARG A 14 5.623 35.160 3.476 1.00 1.45 H new ATOM 0 HB2 ARG A 14 6.821 33.034 3.686 1.00 65.53 H new ATOM 0 HB3 ARG A 14 6.409 33.695 5.256 1.00 65.53 H new ATOM 0 HG2 ARG A 14 4.587 32.108 5.527 1.00 24.44 H new ATOM 0 HG3 ARG A 14 4.758 31.547 3.876 1.00 24.44 H new ATOM 0 HD2 ARG A 14 5.795 29.977 5.473 1.00 61.22 H new ATOM 0 HD3 ARG A 14 6.978 30.634 4.359 1.00 61.22 H new ATOM 0 HE ARG A 14 7.218 32.353 6.464 1.00 0.54 H new ATOM 0 HH11 ARG A 14 7.161 28.821 6.223 1.00 61.10 H new ATOM 0 HH12 ARG A 14 8.168 28.598 7.658 1.00 61.10 H new ATOM 0 HH21 ARG A 14 8.504 32.059 8.289 1.00 35.21 H new ATOM 0 HH22 ARG A 14 8.927 30.429 8.826 1.00 35.21 H new ATOM 210 N GLU A 15 5.394 33.233 1.510 1.00 64.33 N ATOM 211 CA GLU A 15 4.988 32.601 0.265 1.00 75.33 C ATOM 212 C GLU A 15 5.959 31.487 -0.105 1.00 40.51 C ATOM 213 O GLU A 15 7.124 31.509 0.302 1.00 3.40 O ATOM 214 CB GLU A 15 4.892 33.639 -0.859 1.00 74.14 C ATOM 215 CG GLU A 15 6.135 34.502 -1.014 1.00 5.33 C ATOM 216 CD GLU A 15 5.956 35.602 -2.038 1.00 2.45 C ATOM 217 OE1 GLU A 15 5.322 36.629 -1.708 1.00 62.44 O ATOM 218 OE2 GLU A 15 6.447 35.450 -3.178 1.00 24.12 O ATOM 0 H GLU A 15 6.403 33.309 1.635 1.00 64.33 H new ATOM 0 HA GLU A 15 4.000 32.161 0.404 1.00 75.33 H new ATOM 0 HB2 GLU A 15 4.701 33.123 -1.800 1.00 74.14 H new ATOM 0 HB3 GLU A 15 4.035 34.285 -0.670 1.00 74.14 H new ATOM 0 HG2 GLU A 15 6.388 34.945 -0.051 1.00 5.33 H new ATOM 0 HG3 GLU A 15 6.976 33.873 -1.306 1.00 5.33 H new ATOM 225 N ASN A 16 5.465 30.505 -0.844 1.00 20.22 N ATOM 226 CA ASN A 16 6.279 29.368 -1.266 1.00 22.32 C ATOM 227 C ASN A 16 5.607 28.658 -2.439 1.00 23.44 C ATOM 228 O ASN A 16 4.510 28.115 -2.294 1.00 61.43 O ATOM 229 CB ASN A 16 6.473 28.394 -0.093 1.00 14.21 C ATOM 230 CG ASN A 16 7.530 27.334 -0.363 1.00 33.34 C ATOM 231 OD1 ASN A 16 7.772 26.951 -1.503 1.00 52.53 O ATOM 232 ND2 ASN A 16 8.170 26.855 0.694 1.00 55.11 N ATOM 0 H ASN A 16 4.498 30.470 -1.167 1.00 20.22 H new ATOM 0 HA ASN A 16 7.257 29.728 -1.585 1.00 22.32 H new ATOM 0 HB2 ASN A 16 6.752 28.958 0.797 1.00 14.21 H new ATOM 0 HB3 ASN A 16 5.524 27.904 0.125 1.00 14.21 H new ATOM 0 HD21 ASN A 16 8.891 26.144 0.574 1.00 55.11 H new ATOM 0 HD22 ASN A 16 7.942 27.198 1.627 1.00 55.11 H new ATOM 239 N LEU A 17 6.253 28.669 -3.599 1.00 44.20 N ATOM 240 CA LEU A 17 5.654 28.105 -4.802 1.00 33.11 C ATOM 241 C LEU A 17 6.412 26.875 -5.298 1.00 3.13 C ATOM 242 O LEU A 17 7.461 26.986 -5.933 1.00 71.23 O ATOM 243 CB LEU A 17 5.592 29.159 -5.912 1.00 3.34 C ATOM 244 CG LEU A 17 4.744 30.390 -5.593 1.00 61.42 C ATOM 245 CD1 LEU A 17 4.799 31.388 -6.739 1.00 22.42 C ATOM 246 CD2 LEU A 17 3.304 29.991 -5.303 1.00 24.25 C ATOM 0 H LEU A 17 7.186 29.060 -3.732 1.00 44.20 H new ATOM 0 HA LEU A 17 4.644 27.790 -4.541 1.00 33.11 H new ATOM 0 HB2 LEU A 17 6.607 29.485 -6.138 1.00 3.34 H new ATOM 0 HB3 LEU A 17 5.199 28.691 -6.814 1.00 3.34 H new ATOM 0 HG LEU A 17 5.154 30.865 -4.702 1.00 61.42 H new ATOM 0 HD11 LEU A 17 4.189 32.258 -6.494 1.00 22.42 H new ATOM 0 HD12 LEU A 17 5.831 31.702 -6.899 1.00 22.42 H new ATOM 0 HD13 LEU A 17 4.417 30.921 -7.647 1.00 22.42 H new ATOM 0 HD21 LEU A 17 2.718 30.882 -5.078 1.00 24.25 H new ATOM 0 HD22 LEU A 17 2.883 29.490 -6.174 1.00 24.25 H new ATOM 0 HD23 LEU A 17 3.279 29.315 -4.448 1.00 24.25 H new ATOM 258 N TYR A 18 5.871 25.704 -4.992 1.00 31.31 N ATOM 259 CA TYR A 18 6.366 24.452 -5.551 1.00 74.42 C ATOM 260 C TYR A 18 5.213 23.680 -6.175 1.00 43.45 C ATOM 261 O TYR A 18 4.074 23.791 -5.721 1.00 34.41 O ATOM 262 CB TYR A 18 7.048 23.584 -4.489 1.00 0.35 C ATOM 263 CG TYR A 18 8.447 24.024 -4.125 1.00 71.35 C ATOM 264 CD1 TYR A 18 9.469 24.025 -5.068 1.00 24.34 C ATOM 265 CD2 TYR A 18 8.753 24.419 -2.831 1.00 33.31 C ATOM 266 CE1 TYR A 18 10.753 24.410 -4.728 1.00 63.14 C ATOM 267 CE2 TYR A 18 10.032 24.806 -2.484 1.00 13.35 C ATOM 268 CZ TYR A 18 11.027 24.801 -3.435 1.00 40.35 C ATOM 269 OH TYR A 18 12.304 25.184 -3.092 1.00 42.51 O ATOM 0 H TYR A 18 5.083 25.594 -4.354 1.00 31.31 H new ATOM 0 HA TYR A 18 7.109 24.697 -6.310 1.00 74.42 H new ATOM 0 HB2 TYR A 18 6.434 23.585 -3.588 1.00 0.35 H new ATOM 0 HB3 TYR A 18 7.086 22.555 -4.848 1.00 0.35 H new ATOM 0 HD1 TYR A 18 9.257 23.720 -6.082 1.00 24.34 H new ATOM 0 HD2 TYR A 18 7.976 24.424 -2.081 1.00 33.31 H new ATOM 0 HE1 TYR A 18 11.537 24.404 -5.471 1.00 63.14 H new ATOM 0 HE2 TYR A 18 10.251 25.111 -1.471 1.00 13.35 H new ATOM 0 HH TYR A 18 12.328 25.431 -2.144 1.00 42.51 H new ATOM 279 N PHE A 19 5.505 22.908 -7.213 1.00 13.50 N ATOM 280 CA PHE A 19 4.485 22.102 -7.871 1.00 52.40 C ATOM 281 C PHE A 19 5.022 20.709 -8.196 1.00 35.52 C ATOM 282 O PHE A 19 6.117 20.563 -8.741 1.00 11.31 O ATOM 283 CB PHE A 19 3.963 22.799 -9.140 1.00 25.14 C ATOM 284 CG PHE A 19 5.026 23.150 -10.152 1.00 63.11 C ATOM 285 CD1 PHE A 19 5.774 24.312 -10.020 1.00 14.35 C ATOM 286 CD2 PHE A 19 5.277 22.317 -11.233 1.00 34.35 C ATOM 287 CE1 PHE A 19 6.749 24.633 -10.944 1.00 22.34 C ATOM 288 CE2 PHE A 19 6.252 22.635 -12.159 1.00 11.00 C ATOM 289 CZ PHE A 19 6.990 23.792 -12.012 1.00 31.24 C ATOM 0 H PHE A 19 6.438 22.823 -7.617 1.00 13.50 H new ATOM 0 HA PHE A 19 3.647 21.991 -7.182 1.00 52.40 H new ATOM 0 HB2 PHE A 19 3.227 22.151 -9.617 1.00 25.14 H new ATOM 0 HB3 PHE A 19 3.443 23.712 -8.849 1.00 25.14 H new ATOM 0 HD1 PHE A 19 5.591 24.973 -9.185 1.00 14.35 H new ATOM 0 HD2 PHE A 19 4.704 21.410 -11.352 1.00 34.35 H new ATOM 0 HE1 PHE A 19 7.322 25.541 -10.831 1.00 22.34 H new ATOM 0 HE2 PHE A 19 6.436 21.979 -12.997 1.00 11.00 H new ATOM 0 HZ PHE A 19 7.756 24.039 -12.732 1.00 31.24 H new ATOM 299 N GLN A 20 4.249 19.694 -7.833 1.00 1.00 N ATOM 300 CA GLN A 20 4.626 18.305 -8.057 1.00 23.12 C ATOM 301 C GLN A 20 3.415 17.412 -7.805 1.00 33.22 C ATOM 302 O GLN A 20 3.187 16.954 -6.687 1.00 62.41 O ATOM 303 CB GLN A 20 5.787 17.917 -7.128 1.00 72.01 C ATOM 304 CG GLN A 20 6.479 16.617 -7.504 1.00 55.32 C ATOM 305 CD GLN A 20 7.124 16.668 -8.877 1.00 72.24 C ATOM 306 OE1 GLN A 20 7.537 17.727 -9.348 1.00 72.23 O ATOM 307 NE2 GLN A 20 7.218 15.521 -9.529 1.00 13.34 N ATOM 0 H GLN A 20 3.345 19.810 -7.376 1.00 1.00 H new ATOM 0 HA GLN A 20 4.957 18.176 -9.087 1.00 23.12 H new ATOM 0 HB2 GLN A 20 6.523 18.721 -7.130 1.00 72.01 H new ATOM 0 HB3 GLN A 20 5.409 17.833 -6.109 1.00 72.01 H new ATOM 0 HG2 GLN A 20 7.240 16.388 -6.759 1.00 55.32 H new ATOM 0 HG3 GLN A 20 5.753 15.804 -7.479 1.00 55.32 H new ATOM 0 HE21 GLN A 20 6.864 14.663 -9.106 1.00 13.34 H new ATOM 0 HE22 GLN A 20 7.645 15.494 -10.455 1.00 13.34 H new ATOM 316 N GLY A 21 2.617 17.206 -8.842 1.00 41.44 N ATOM 317 CA GLY A 21 1.347 16.526 -8.680 1.00 72.35 C ATOM 318 C GLY A 21 1.335 15.116 -9.227 1.00 31.00 C ATOM 319 O GLY A 21 0.817 14.865 -10.318 1.00 20.41 O ATOM 0 H GLY A 21 2.827 17.498 -9.796 1.00 41.44 H new ATOM 0 HA2 GLY A 21 1.094 16.497 -7.620 1.00 72.35 H new ATOM 0 HA3 GLY A 21 0.569 17.105 -9.178 1.00 72.35 H new ATOM 323 N HIS A 22 1.913 14.194 -8.476 1.00 60.44 N ATOM 324 CA HIS A 22 1.844 12.776 -8.804 1.00 43.34 C ATOM 325 C HIS A 22 1.679 11.985 -7.521 1.00 42.41 C ATOM 326 O HIS A 22 1.809 12.543 -6.429 1.00 24.40 O ATOM 327 CB HIS A 22 3.105 12.292 -9.540 1.00 24.51 C ATOM 328 CG HIS A 22 3.447 13.073 -10.770 1.00 43.52 C ATOM 329 ND1 HIS A 22 4.454 14.008 -10.800 1.00 72.43 N ATOM 330 CD2 HIS A 22 2.919 13.051 -12.015 1.00 62.44 C ATOM 331 CE1 HIS A 22 4.534 14.529 -12.008 1.00 55.22 C ATOM 332 NE2 HIS A 22 3.613 13.965 -12.768 1.00 71.20 N ATOM 0 H HIS A 22 2.440 14.402 -7.628 1.00 60.44 H new ATOM 0 HA HIS A 22 0.994 12.623 -9.469 1.00 43.34 H new ATOM 0 HB2 HIS A 22 3.950 12.334 -8.852 1.00 24.51 H new ATOM 0 HB3 HIS A 22 2.970 11.246 -9.816 1.00 24.51 H new ATOM 0 HD1 HIS A 22 5.048 14.260 -10.010 1.00 72.43 H new ATOM 0 HD2 HIS A 22 2.103 12.430 -12.354 1.00 62.44 H new ATOM 0 HE1 HIS A 22 5.234 15.289 -12.323 1.00 55.22 H new ATOM 341 N LEU A 23 1.393 10.700 -7.646 1.00 62.12 N ATOM 342 CA LEU A 23 1.286 9.829 -6.484 1.00 65.34 C ATOM 343 C LEU A 23 2.112 8.573 -6.703 1.00 42.04 C ATOM 344 O LEU A 23 2.011 7.927 -7.746 1.00 54.33 O ATOM 345 CB LEU A 23 -0.175 9.448 -6.190 1.00 60.20 C ATOM 346 CG LEU A 23 -1.096 10.597 -5.759 1.00 75.03 C ATOM 347 CD1 LEU A 23 -1.659 11.329 -6.968 1.00 74.12 C ATOM 348 CD2 LEU A 23 -2.216 10.075 -4.874 1.00 53.40 C ATOM 0 H LEU A 23 1.230 10.235 -8.539 1.00 62.12 H new ATOM 0 HA LEU A 23 1.668 10.376 -5.622 1.00 65.34 H new ATOM 0 HB2 LEU A 23 -0.596 8.987 -7.083 1.00 60.20 H new ATOM 0 HB3 LEU A 23 -0.181 8.690 -5.407 1.00 60.20 H new ATOM 0 HG LEU A 23 -0.505 11.310 -5.184 1.00 75.03 H new ATOM 0 HD11 LEU A 23 -2.308 12.138 -6.634 1.00 74.12 H new ATOM 0 HD12 LEU A 23 -0.840 11.741 -7.558 1.00 74.12 H new ATOM 0 HD13 LEU A 23 -2.233 10.633 -7.580 1.00 74.12 H new ATOM 0 HD21 LEU A 23 -2.860 10.902 -4.577 1.00 53.40 H new ATOM 0 HD22 LEU A 23 -2.801 9.339 -5.424 1.00 53.40 H new ATOM 0 HD23 LEU A 23 -1.790 9.609 -3.985 1.00 53.40 H new ATOM 360 N ARG A 24 2.937 8.236 -5.725 1.00 10.13 N ATOM 361 CA ARG A 24 3.787 7.058 -5.820 1.00 5.31 C ATOM 362 C ARG A 24 3.505 6.111 -4.662 1.00 32.23 C ATOM 363 O ARG A 24 2.806 6.474 -3.713 1.00 23.20 O ATOM 364 CB ARG A 24 5.272 7.441 -5.818 1.00 25.45 C ATOM 365 CG ARG A 24 5.657 8.454 -6.882 1.00 74.41 C ATOM 366 CD ARG A 24 7.166 8.619 -6.966 1.00 44.30 C ATOM 367 NE ARG A 24 7.550 9.760 -7.796 1.00 64.42 N ATOM 368 CZ ARG A 24 8.548 9.747 -8.677 1.00 62.33 C ATOM 369 NH1 ARG A 24 9.251 8.638 -8.894 1.00 72.20 N ATOM 370 NH2 ARG A 24 8.847 10.856 -9.343 1.00 75.11 N ATOM 0 H ARG A 24 3.037 8.761 -4.856 1.00 10.13 H new ATOM 0 HA ARG A 24 3.560 6.560 -6.763 1.00 5.31 H new ATOM 0 HB2 ARG A 24 5.530 7.844 -4.839 1.00 25.45 H new ATOM 0 HB3 ARG A 24 5.868 6.539 -5.959 1.00 25.45 H new ATOM 0 HG2 ARG A 24 5.269 8.134 -7.849 1.00 74.41 H new ATOM 0 HG3 ARG A 24 5.196 9.415 -6.656 1.00 74.41 H new ATOM 0 HD2 ARG A 24 7.572 8.748 -5.963 1.00 44.30 H new ATOM 0 HD3 ARG A 24 7.607 7.710 -7.374 1.00 44.30 H new ATOM 0 HE ARG A 24 7.017 10.624 -7.693 1.00 64.42 H new ATOM 0 HH11 ARG A 24 9.028 7.784 -8.382 1.00 72.20 H new ATOM 0 HH12 ARG A 24 10.013 8.642 -9.572 1.00 72.20 H new ATOM 0 HH21 ARG A 24 8.314 11.710 -9.178 1.00 75.11 H new ATOM 0 HH22 ARG A 24 9.610 10.854 -10.020 1.00 75.11 H new ATOM 384 N GLU A 25 4.048 4.904 -4.745 1.00 5.53 N ATOM 385 CA GLU A 25 3.879 3.911 -3.691 1.00 22.42 C ATOM 386 C GLU A 25 4.598 4.323 -2.424 1.00 63.34 C ATOM 387 O GLU A 25 5.813 4.526 -2.424 1.00 63.22 O ATOM 388 CB GLU A 25 4.412 2.551 -4.137 1.00 41.23 C ATOM 389 CG GLU A 25 3.468 1.792 -5.041 1.00 61.12 C ATOM 390 CD GLU A 25 4.210 0.946 -6.055 1.00 52.14 C ATOM 391 OE1 GLU A 25 4.604 1.489 -7.106 1.00 23.44 O ATOM 392 OE2 GLU A 25 4.425 -0.256 -5.797 1.00 45.34 O ATOM 0 H GLU A 25 4.611 4.587 -5.534 1.00 5.53 H new ATOM 0 HA GLU A 25 2.810 3.840 -3.489 1.00 22.42 H new ATOM 0 HB2 GLU A 25 5.360 2.695 -4.656 1.00 41.23 H new ATOM 0 HB3 GLU A 25 4.620 1.946 -3.255 1.00 41.23 H new ATOM 0 HG2 GLU A 25 2.824 1.153 -4.437 1.00 61.12 H new ATOM 0 HG3 GLU A 25 2.820 2.497 -5.562 1.00 61.12 H new ATOM 399 N LEU A 26 3.843 4.454 -1.351 1.00 41.42 N ATOM 400 CA LEU A 26 4.432 4.618 -0.043 1.00 30.51 C ATOM 401 C LEU A 26 4.973 3.258 0.383 1.00 42.24 C ATOM 402 O LEU A 26 6.050 3.150 0.971 1.00 13.11 O ATOM 403 CB LEU A 26 3.381 5.140 0.957 1.00 54.02 C ATOM 404 CG LEU A 26 3.915 5.759 2.265 1.00 25.44 C ATOM 405 CD1 LEU A 26 4.590 4.723 3.149 1.00 54.31 C ATOM 406 CD2 LEU A 26 4.872 6.897 1.964 1.00 11.35 C ATOM 0 H LEU A 26 2.823 4.450 -1.362 1.00 41.42 H new ATOM 0 HA LEU A 26 5.239 5.351 -0.067 1.00 30.51 H new ATOM 0 HB2 LEU A 26 2.772 5.889 0.450 1.00 54.02 H new ATOM 0 HB3 LEU A 26 2.719 4.314 1.217 1.00 54.02 H new ATOM 0 HG LEU A 26 3.057 6.151 2.812 1.00 25.44 H new ATOM 0 HD11 LEU A 26 4.951 5.201 4.059 1.00 54.31 H new ATOM 0 HD12 LEU A 26 3.873 3.944 3.408 1.00 54.31 H new ATOM 0 HD13 LEU A 26 5.430 4.280 2.614 1.00 54.31 H new ATOM 0 HD21 LEU A 26 5.238 7.321 2.899 1.00 11.35 H new ATOM 0 HD22 LEU A 26 5.713 6.521 1.382 1.00 11.35 H new ATOM 0 HD23 LEU A 26 4.353 7.668 1.395 1.00 11.35 H new ATOM 418 N LEU A 27 4.237 2.212 0.008 1.00 44.10 N ATOM 419 CA LEU A 27 4.563 0.851 0.411 1.00 35.13 C ATOM 420 C LEU A 27 3.597 -0.131 -0.229 1.00 32.34 C ATOM 421 O LEU A 27 2.513 0.258 -0.672 1.00 42.44 O ATOM 422 CB LEU A 27 4.506 0.697 1.945 1.00 63.12 C ATOM 423 CG LEU A 27 3.107 0.562 2.567 1.00 51.34 C ATOM 424 CD1 LEU A 27 3.221 0.169 4.032 1.00 71.54 C ATOM 425 CD2 LEU A 27 2.316 1.857 2.439 1.00 61.42 C ATOM 0 H LEU A 27 3.406 2.286 -0.579 1.00 44.10 H new ATOM 0 HA LEU A 27 5.578 0.638 0.076 1.00 35.13 H new ATOM 0 HB2 LEU A 27 5.089 -0.181 2.222 1.00 63.12 H new ATOM 0 HB3 LEU A 27 4.997 1.560 2.393 1.00 63.12 H new ATOM 0 HG LEU A 27 2.573 -0.217 2.023 1.00 51.34 H new ATOM 0 HD11 LEU A 27 2.224 0.076 4.462 1.00 71.54 H new ATOM 0 HD12 LEU A 27 3.742 -0.785 4.113 1.00 71.54 H new ATOM 0 HD13 LEU A 27 3.779 0.934 4.572 1.00 71.54 H new ATOM 0 HD21 LEU A 27 1.331 1.728 2.889 1.00 61.42 H new ATOM 0 HD22 LEU A 27 2.847 2.660 2.951 1.00 61.42 H new ATOM 0 HD23 LEU A 27 2.203 2.112 1.385 1.00 61.42 H new ATOM 437 N ARG A 28 3.997 -1.391 -0.295 1.00 73.24 N ATOM 438 CA ARG A 28 3.080 -2.446 -0.688 1.00 41.45 C ATOM 439 C ARG A 28 2.793 -3.306 0.540 1.00 62.33 C ATOM 440 O ARG A 28 3.681 -3.972 1.072 1.00 71.13 O ATOM 441 CB ARG A 28 3.626 -3.262 -1.887 1.00 12.15 C ATOM 442 CG ARG A 28 4.795 -4.202 -1.593 1.00 74.44 C ATOM 443 CD ARG A 28 4.304 -5.606 -1.257 1.00 21.45 C ATOM 444 NE ARG A 28 5.397 -6.548 -1.017 1.00 41.41 N ATOM 445 CZ ARG A 28 5.771 -6.960 0.195 1.00 0.55 C ATOM 446 NH1 ARG A 28 5.263 -6.395 1.284 1.00 60.35 N ATOM 447 NH2 ARG A 28 6.672 -7.923 0.323 1.00 14.24 N ATOM 0 H ARG A 28 4.944 -1.705 -0.083 1.00 73.24 H new ATOM 0 HA ARG A 28 2.143 -2.018 -1.043 1.00 41.45 H new ATOM 0 HB2 ARG A 28 2.808 -3.853 -2.299 1.00 12.15 H new ATOM 0 HB3 ARG A 28 3.937 -2.563 -2.663 1.00 12.15 H new ATOM 0 HG2 ARG A 28 5.458 -4.243 -2.457 1.00 74.44 H new ATOM 0 HG3 ARG A 28 5.380 -3.810 -0.761 1.00 74.44 H new ATOM 0 HD2 ARG A 28 3.668 -5.561 -0.373 1.00 21.45 H new ATOM 0 HD3 ARG A 28 3.686 -5.975 -2.075 1.00 21.45 H new ATOM 0 HE ARG A 28 5.903 -6.911 -1.825 1.00 41.41 H new ATOM 0 HH11 ARG A 28 4.582 -5.641 1.197 1.00 60.35 H new ATOM 0 HH12 ARG A 28 5.554 -6.715 2.208 1.00 60.35 H new ATOM 0 HH21 ARG A 28 7.082 -8.352 -0.507 1.00 14.24 H new ATOM 0 HH22 ARG A 28 6.956 -8.236 1.251 1.00 14.24 H new ATOM 461 N THR A 29 1.565 -3.245 1.017 1.00 21.41 N ATOM 462 CA THR A 29 1.213 -3.873 2.274 1.00 55.44 C ATOM 463 C THR A 29 0.866 -5.345 2.078 1.00 31.53 C ATOM 464 O THR A 29 -0.168 -5.684 1.499 1.00 40.32 O ATOM 465 CB THR A 29 0.032 -3.142 2.936 1.00 4.11 C ATOM 466 OG1 THR A 29 0.263 -1.727 2.918 1.00 73.31 O ATOM 467 CG2 THR A 29 -0.153 -3.599 4.374 1.00 25.02 C ATOM 0 H THR A 29 0.794 -2.766 0.552 1.00 21.41 H new ATOM 0 HA THR A 29 2.082 -3.808 2.928 1.00 55.44 H new ATOM 0 HB THR A 29 -0.871 -3.378 2.373 1.00 4.11 H new ATOM 0 HG1 THR A 29 0.119 -1.361 3.815 1.00 73.31 H new ATOM 0 HG21 THR A 29 -0.994 -3.067 4.819 1.00 25.02 H new ATOM 0 HG22 THR A 29 -0.350 -4.671 4.393 1.00 25.02 H new ATOM 0 HG23 THR A 29 0.752 -3.387 4.943 1.00 25.02 H new ATOM 475 N ASN A 30 1.748 -6.218 2.554 1.00 74.34 N ATOM 476 CA ASN A 30 1.508 -7.656 2.501 1.00 23.32 C ATOM 477 C ASN A 30 0.800 -8.091 3.777 1.00 55.24 C ATOM 478 O ASN A 30 0.247 -9.187 3.863 1.00 73.14 O ATOM 479 CB ASN A 30 2.832 -8.422 2.333 1.00 71.31 C ATOM 480 CG ASN A 30 3.443 -8.881 3.652 1.00 1.54 C ATOM 481 OD1 ASN A 30 3.290 -10.037 4.052 1.00 34.20 O ATOM 482 ND2 ASN A 30 4.125 -7.983 4.345 1.00 42.34 N ATOM 0 H ASN A 30 2.636 -5.955 2.981 1.00 74.34 H new ATOM 0 HA ASN A 30 0.878 -7.883 1.641 1.00 23.32 H new ATOM 0 HB2 ASN A 30 2.661 -9.292 1.699 1.00 71.31 H new ATOM 0 HB3 ASN A 30 3.547 -7.785 1.813 1.00 71.31 H new ATOM 0 HD21 ASN A 30 4.543 -8.239 5.239 1.00 42.34 H new ATOM 0 HD22 ASN A 30 4.232 -7.035 3.985 1.00 42.34 H new ATOM 489 N ASP A 31 0.829 -7.207 4.767 1.00 71.43 N ATOM 490 CA ASP A 31 0.187 -7.458 6.051 1.00 54.32 C ATOM 491 C ASP A 31 -1.332 -7.361 5.928 1.00 3.25 C ATOM 492 O ASP A 31 -2.064 -8.060 6.631 1.00 53.41 O ATOM 493 CB ASP A 31 0.697 -6.458 7.089 1.00 14.53 C ATOM 494 CG ASP A 31 0.035 -6.628 8.436 1.00 44.33 C ATOM 495 OD1 ASP A 31 0.548 -7.412 9.261 1.00 2.42 O ATOM 496 OD2 ASP A 31 -0.995 -5.977 8.679 1.00 21.32 O ATOM 0 H ASP A 31 1.295 -6.302 4.703 1.00 71.43 H new ATOM 0 HA ASP A 31 0.438 -8.469 6.372 1.00 54.32 H new ATOM 0 HB2 ASP A 31 1.775 -6.575 7.201 1.00 14.53 H new ATOM 0 HB3 ASP A 31 0.522 -5.445 6.728 1.00 14.53 H new ATOM 501 N ALA A 32 -1.785 -6.482 5.031 1.00 73.30 N ATOM 502 CA ALA A 32 -3.211 -6.272 4.743 1.00 52.10 C ATOM 503 C ALA A 32 -3.928 -5.497 5.854 1.00 52.12 C ATOM 504 O ALA A 32 -4.760 -4.639 5.572 1.00 24.14 O ATOM 505 CB ALA A 32 -3.921 -7.590 4.458 1.00 4.24 C ATOM 0 H ALA A 32 -1.168 -5.888 4.477 1.00 73.30 H new ATOM 0 HA ALA A 32 -3.256 -5.657 3.844 1.00 52.10 H new ATOM 0 HB1 ALA A 32 -4.974 -7.399 4.249 1.00 4.24 H new ATOM 0 HB2 ALA A 32 -3.461 -8.072 3.595 1.00 4.24 H new ATOM 0 HB3 ALA A 32 -3.837 -8.244 5.326 1.00 4.24 H new ATOM 511 N VAL A 33 -3.613 -5.792 7.103 1.00 13.31 N ATOM 512 CA VAL A 33 -4.248 -5.113 8.227 1.00 3.12 C ATOM 513 C VAL A 33 -3.628 -3.731 8.448 1.00 44.15 C ATOM 514 O VAL A 33 -4.330 -2.756 8.726 1.00 24.02 O ATOM 515 CB VAL A 33 -4.128 -5.948 9.521 1.00 75.32 C ATOM 516 CG1 VAL A 33 -4.850 -5.275 10.680 1.00 4.13 C ATOM 517 CG2 VAL A 33 -4.660 -7.357 9.304 1.00 23.52 C ATOM 0 H VAL A 33 -2.923 -6.495 7.368 1.00 13.31 H new ATOM 0 HA VAL A 33 -5.304 -4.994 7.984 1.00 3.12 H new ATOM 0 HB VAL A 33 -3.071 -6.014 9.778 1.00 75.32 H new ATOM 0 HG11 VAL A 33 -4.748 -5.886 11.577 1.00 4.13 H new ATOM 0 HG12 VAL A 33 -4.414 -4.292 10.859 1.00 4.13 H new ATOM 0 HG13 VAL A 33 -5.906 -5.164 10.435 1.00 4.13 H new ATOM 0 HG21 VAL A 33 -4.566 -7.928 10.228 1.00 23.52 H new ATOM 0 HG22 VAL A 33 -5.709 -7.309 9.012 1.00 23.52 H new ATOM 0 HG23 VAL A 33 -4.086 -7.845 8.516 1.00 23.52 H new ATOM 527 N LEU A 34 -2.310 -3.662 8.304 1.00 34.24 N ATOM 528 CA LEU A 34 -1.551 -2.430 8.520 1.00 51.24 C ATOM 529 C LEU A 34 -2.108 -1.257 7.712 1.00 63.12 C ATOM 530 O LEU A 34 -2.190 -0.139 8.217 1.00 44.01 O ATOM 531 CB LEU A 34 -0.081 -2.659 8.155 1.00 24.12 C ATOM 532 CG LEU A 34 0.842 -1.457 8.359 1.00 4.10 C ATOM 533 CD1 LEU A 34 0.942 -1.103 9.835 1.00 31.41 C ATOM 534 CD2 LEU A 34 2.218 -1.745 7.783 1.00 34.44 C ATOM 0 H LEU A 34 -1.734 -4.459 8.034 1.00 34.24 H new ATOM 0 HA LEU A 34 -1.639 -2.171 9.575 1.00 51.24 H new ATOM 0 HB2 LEU A 34 0.298 -3.491 8.749 1.00 24.12 H new ATOM 0 HB3 LEU A 34 -0.027 -2.963 7.110 1.00 24.12 H new ATOM 0 HG LEU A 34 0.419 -0.602 7.832 1.00 4.10 H new ATOM 0 HD11 LEU A 34 1.603 -0.245 9.959 1.00 31.41 H new ATOM 0 HD12 LEU A 34 -0.048 -0.856 10.218 1.00 31.41 H new ATOM 0 HD13 LEU A 34 1.343 -1.953 10.387 1.00 31.41 H new ATOM 0 HD21 LEU A 34 2.864 -0.881 7.935 1.00 34.44 H new ATOM 0 HD22 LEU A 34 2.648 -2.612 8.284 1.00 34.44 H new ATOM 0 HD23 LEU A 34 2.130 -1.949 6.716 1.00 34.44 H new ATOM 546 N LEU A 35 -2.517 -1.515 6.471 1.00 40.32 N ATOM 547 CA LEU A 35 -2.970 -0.442 5.585 1.00 73.02 C ATOM 548 C LEU A 35 -4.250 0.216 6.104 1.00 45.53 C ATOM 549 O LEU A 35 -4.521 1.380 5.805 1.00 14.24 O ATOM 550 CB LEU A 35 -3.155 -0.958 4.149 1.00 0.00 C ATOM 551 CG LEU A 35 -4.136 -2.122 3.967 1.00 51.11 C ATOM 552 CD1 LEU A 35 -5.569 -1.626 3.823 1.00 11.53 C ATOM 553 CD2 LEU A 35 -3.742 -2.964 2.764 1.00 41.24 C ATOM 0 H LEU A 35 -2.545 -2.447 6.058 1.00 40.32 H new ATOM 0 HA LEU A 35 -2.194 0.324 5.573 1.00 73.02 H new ATOM 0 HB2 LEU A 35 -3.490 -0.128 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.182 -1.268 3.769 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.087 -2.742 4.862 1.00 51.11 H new ATOM 0 HD11 LEU A 35 -6.238 -2.477 3.696 1.00 11.53 H new ATOM 0 HD12 LEU A 35 -5.854 -1.072 4.717 1.00 11.53 H new ATOM 0 HD13 LEU A 35 -5.643 -0.974 2.953 1.00 11.53 H new ATOM 0 HD21 LEU A 35 -4.448 -3.786 2.648 1.00 41.24 H new ATOM 0 HD22 LEU A 35 -3.755 -2.345 1.867 1.00 41.24 H new ATOM 0 HD23 LEU A 35 -2.740 -3.365 2.913 1.00 41.24 H new ATOM 565 N SER A 36 -5.026 -0.521 6.889 1.00 42.31 N ATOM 566 CA SER A 36 -6.246 0.019 7.468 1.00 34.01 C ATOM 567 C SER A 36 -5.902 1.046 8.544 1.00 52.25 C ATOM 568 O SER A 36 -6.600 2.044 8.716 1.00 34.44 O ATOM 569 CB SER A 36 -7.093 -1.114 8.048 1.00 23.31 C ATOM 570 OG SER A 36 -7.312 -2.126 7.077 1.00 74.04 O ATOM 0 H SER A 36 -4.832 -1.491 7.138 1.00 42.31 H new ATOM 0 HA SER A 36 -6.824 0.517 6.690 1.00 34.01 H new ATOM 0 HB2 SER A 36 -6.593 -1.540 8.918 1.00 23.31 H new ATOM 0 HB3 SER A 36 -8.049 -0.720 8.392 1.00 23.31 H new ATOM 0 HG SER A 36 -7.854 -2.843 7.468 1.00 74.04 H new ATOM 576 N ALA A 37 -4.802 0.804 9.249 1.00 73.25 N ATOM 577 CA ALA A 37 -4.317 1.738 10.252 1.00 23.24 C ATOM 578 C ALA A 37 -3.640 2.924 9.577 1.00 53.13 C ATOM 579 O ALA A 37 -3.819 4.071 9.983 1.00 54.22 O ATOM 580 CB ALA A 37 -3.355 1.047 11.203 1.00 63.53 C ATOM 0 H ALA A 37 -4.230 -0.034 9.142 1.00 73.25 H new ATOM 0 HA ALA A 37 -5.166 2.102 10.830 1.00 23.24 H new ATOM 0 HB1 ALA A 37 -3.002 1.762 11.947 1.00 63.53 H new ATOM 0 HB2 ALA A 37 -3.866 0.225 11.704 1.00 63.53 H new ATOM 0 HB3 ALA A 37 -2.505 0.658 10.642 1.00 63.53 H new ATOM 586 N VAL A 38 -2.872 2.629 8.531 1.00 23.54 N ATOM 587 CA VAL A 38 -2.205 3.659 7.737 1.00 73.14 C ATOM 588 C VAL A 38 -3.222 4.654 7.173 1.00 44.05 C ATOM 589 O VAL A 38 -2.962 5.859 7.090 1.00 1.03 O ATOM 590 CB VAL A 38 -1.408 3.020 6.576 1.00 72.14 C ATOM 591 CG1 VAL A 38 -0.849 4.075 5.637 1.00 3.41 C ATOM 592 CG2 VAL A 38 -0.284 2.152 7.119 1.00 13.45 C ATOM 0 H VAL A 38 -2.695 1.677 8.211 1.00 23.54 H new ATOM 0 HA VAL A 38 -1.516 4.191 8.393 1.00 73.14 H new ATOM 0 HB VAL A 38 -2.096 2.396 6.006 1.00 72.14 H new ATOM 0 HG11 VAL A 38 -0.295 3.590 4.833 1.00 3.41 H new ATOM 0 HG12 VAL A 38 -1.668 4.656 5.214 1.00 3.41 H new ATOM 0 HG13 VAL A 38 -0.182 4.737 6.189 1.00 3.41 H new ATOM 0 HG21 VAL A 38 0.267 1.710 6.289 1.00 13.45 H new ATOM 0 HG22 VAL A 38 0.391 2.763 7.718 1.00 13.45 H new ATOM 0 HG23 VAL A 38 -0.703 1.360 7.739 1.00 13.45 H new ATOM 602 N GLY A 39 -4.387 4.137 6.807 1.00 11.32 N ATOM 603 CA GLY A 39 -5.437 4.973 6.267 1.00 33.33 C ATOM 604 C GLY A 39 -5.892 6.033 7.246 1.00 70.44 C ATOM 605 O GLY A 39 -6.020 7.204 6.885 1.00 5.10 O ATOM 0 H GLY A 39 -4.623 3.147 6.876 1.00 11.32 H new ATOM 0 HA2 GLY A 39 -5.082 5.453 5.355 1.00 33.33 H new ATOM 0 HA3 GLY A 39 -6.287 4.350 5.989 1.00 33.33 H new ATOM 609 N ALA A 40 -6.111 5.626 8.491 1.00 62.20 N ATOM 610 CA ALA A 40 -6.564 6.541 9.530 1.00 24.55 C ATOM 611 C ALA A 40 -5.479 7.552 9.886 1.00 45.02 C ATOM 612 O ALA A 40 -5.770 8.659 10.336 1.00 32.13 O ATOM 613 CB ALA A 40 -6.990 5.761 10.765 1.00 44.41 C ATOM 0 H ALA A 40 -5.981 4.664 8.805 1.00 62.20 H new ATOM 0 HA ALA A 40 -7.422 7.093 9.147 1.00 24.55 H new ATOM 0 HB1 ALA A 40 -7.327 6.455 11.535 1.00 44.41 H new ATOM 0 HB2 ALA A 40 -7.804 5.084 10.505 1.00 44.41 H new ATOM 0 HB3 ALA A 40 -6.145 5.184 11.141 1.00 44.41 H new ATOM 619 N LEU A 41 -4.228 7.170 9.680 1.00 74.23 N ATOM 620 CA LEU A 41 -3.106 8.052 9.971 1.00 53.53 C ATOM 621 C LEU A 41 -2.989 9.152 8.920 1.00 63.52 C ATOM 622 O LEU A 41 -2.949 10.337 9.249 1.00 72.41 O ATOM 623 CB LEU A 41 -1.808 7.248 10.019 1.00 0.13 C ATOM 624 CG LEU A 41 -1.715 6.228 11.152 1.00 73.42 C ATOM 625 CD1 LEU A 41 -0.501 5.333 10.967 1.00 44.20 C ATOM 626 CD2 LEU A 41 -1.648 6.934 12.494 1.00 70.14 C ATOM 0 H LEU A 41 -3.963 6.256 9.313 1.00 74.23 H new ATOM 0 HA LEU A 41 -3.283 8.517 10.941 1.00 53.53 H new ATOM 0 HB2 LEU A 41 -1.688 6.725 9.070 1.00 0.13 H new ATOM 0 HB3 LEU A 41 -0.973 7.942 10.108 1.00 0.13 H new ATOM 0 HG LEU A 41 -2.610 5.606 11.128 1.00 73.42 H new ATOM 0 HD11 LEU A 41 -0.452 4.613 11.784 1.00 44.20 H new ATOM 0 HD12 LEU A 41 -0.582 4.801 10.019 1.00 44.20 H new ATOM 0 HD13 LEU A 41 0.403 5.942 10.965 1.00 44.20 H new ATOM 0 HD21 LEU A 41 -1.582 6.194 13.292 1.00 70.14 H new ATOM 0 HD22 LEU A 41 -0.769 7.578 12.523 1.00 70.14 H new ATOM 0 HD23 LEU A 41 -2.545 7.538 12.633 1.00 70.14 H new ATOM 638 N LEU A 42 -2.961 8.754 7.657 1.00 32.41 N ATOM 639 CA LEU A 42 -2.745 9.698 6.568 1.00 41.33 C ATOM 640 C LEU A 42 -3.941 10.626 6.391 1.00 73.45 C ATOM 641 O LEU A 42 -3.781 11.821 6.131 1.00 21.42 O ATOM 642 CB LEU A 42 -2.452 8.956 5.265 1.00 65.21 C ATOM 643 CG LEU A 42 -1.216 8.055 5.303 1.00 53.40 C ATOM 644 CD1 LEU A 42 -0.943 7.458 3.934 1.00 51.43 C ATOM 645 CD2 LEU A 42 -0.003 8.829 5.798 1.00 75.24 C ATOM 0 H LEU A 42 -3.085 7.786 7.360 1.00 32.41 H new ATOM 0 HA LEU A 42 -1.881 10.310 6.827 1.00 41.33 H new ATOM 0 HB2 LEU A 42 -3.319 8.348 5.007 1.00 65.21 H new ATOM 0 HB3 LEU A 42 -2.326 9.688 4.467 1.00 65.21 H new ATOM 0 HG LEU A 42 -1.412 7.239 5.999 1.00 53.40 H new ATOM 0 HD11 LEU A 42 -0.060 6.821 3.984 1.00 51.43 H new ATOM 0 HD12 LEU A 42 -1.801 6.865 3.618 1.00 51.43 H new ATOM 0 HD13 LEU A 42 -0.772 8.259 3.215 1.00 51.43 H new ATOM 0 HD21 LEU A 42 0.865 8.171 5.818 1.00 75.24 H new ATOM 0 HD22 LEU A 42 0.192 9.667 5.129 1.00 75.24 H new ATOM 0 HD23 LEU A 42 -0.196 9.205 6.803 1.00 75.24 H new ATOM 657 N ASP A 43 -5.142 10.080 6.531 1.00 24.55 N ATOM 658 CA ASP A 43 -6.353 10.886 6.416 1.00 41.51 C ATOM 659 C ASP A 43 -6.565 11.735 7.657 1.00 60.22 C ATOM 660 O ASP A 43 -7.119 12.832 7.580 1.00 13.44 O ATOM 661 CB ASP A 43 -7.575 10.009 6.161 1.00 44.43 C ATOM 662 CG ASP A 43 -7.968 10.006 4.699 1.00 60.14 C ATOM 663 OD1 ASP A 43 -7.130 9.636 3.853 1.00 14.11 O ATOM 664 OD2 ASP A 43 -9.117 10.379 4.385 1.00 4.44 O ATOM 0 H ASP A 43 -5.305 9.091 6.723 1.00 24.55 H new ATOM 0 HA ASP A 43 -6.223 11.551 5.562 1.00 41.51 H new ATOM 0 HB2 ASP A 43 -7.364 8.989 6.483 1.00 44.43 H new ATOM 0 HB3 ASP A 43 -8.411 10.367 6.762 1.00 44.43 H new ATOM 669 N GLY A 44 -6.111 11.230 8.798 1.00 13.51 N ATOM 670 CA GLY A 44 -6.212 11.975 10.038 1.00 63.01 C ATOM 671 C GLY A 44 -5.325 13.204 10.030 1.00 4.35 C ATOM 672 O GLY A 44 -5.607 14.191 10.709 1.00 35.24 O ATOM 0 H GLY A 44 -5.673 10.313 8.886 1.00 13.51 H new ATOM 0 HA2 GLY A 44 -7.248 12.275 10.198 1.00 63.01 H new ATOM 0 HA3 GLY A 44 -5.934 11.331 10.872 1.00 63.01 H new ATOM 676 N ALA A 45 -4.254 13.141 9.248 1.00 21.24 N ATOM 677 CA ALA A 45 -3.332 14.259 9.116 1.00 23.13 C ATOM 678 C ALA A 45 -3.748 15.174 7.969 1.00 3.35 C ATOM 679 O ALA A 45 -3.031 16.115 7.626 1.00 53.21 O ATOM 680 CB ALA A 45 -1.910 13.754 8.910 1.00 43.00 C ATOM 0 H ALA A 45 -4.003 12.322 8.694 1.00 21.24 H new ATOM 0 HA ALA A 45 -3.364 14.838 10.039 1.00 23.13 H new ATOM 0 HB1 ALA A 45 -1.233 14.603 8.813 1.00 43.00 H new ATOM 0 HB2 ALA A 45 -1.612 13.148 9.765 1.00 43.00 H new ATOM 0 HB3 ALA A 45 -1.866 13.150 8.004 1.00 43.00 H new ATOM 686 N ASP A 46 -4.912 14.875 7.376 1.00 21.10 N ATOM 687 CA ASP A 46 -5.487 15.682 6.289 1.00 65.11 C ATOM 688 C ASP A 46 -4.678 15.528 4.996 1.00 13.53 C ATOM 689 O ASP A 46 -4.932 16.202 3.998 1.00 11.14 O ATOM 690 CB ASP A 46 -5.582 17.162 6.711 1.00 31.00 C ATOM 691 CG ASP A 46 -6.320 18.034 5.707 1.00 74.03 C ATOM 692 OD1 ASP A 46 -7.558 17.903 5.595 1.00 3.14 O ATOM 693 OD2 ASP A 46 -5.669 18.860 5.031 1.00 52.22 O ATOM 0 H ASP A 46 -5.481 14.069 7.635 1.00 21.10 H new ATOM 0 HA ASP A 46 -6.495 15.317 6.090 1.00 65.11 H new ATOM 0 HB2 ASP A 46 -6.087 17.225 7.675 1.00 31.00 H new ATOM 0 HB3 ASP A 46 -4.576 17.556 6.852 1.00 31.00 H new ATOM 698 N ILE A 47 -3.724 14.606 5.008 1.00 10.54 N ATOM 699 CA ILE A 47 -2.865 14.376 3.851 1.00 44.23 C ATOM 700 C ILE A 47 -3.618 13.621 2.763 1.00 63.12 C ATOM 701 O ILE A 47 -3.562 13.975 1.582 1.00 61.41 O ATOM 702 CB ILE A 47 -1.593 13.584 4.236 1.00 30.52 C ATOM 703 CG1 ILE A 47 -0.809 14.324 5.323 1.00 55.12 C ATOM 704 CG2 ILE A 47 -0.714 13.352 3.014 1.00 22.45 C ATOM 705 CD1 ILE A 47 0.424 13.584 5.797 1.00 45.21 C ATOM 0 H ILE A 47 -3.524 14.004 5.807 1.00 10.54 H new ATOM 0 HA ILE A 47 -2.565 15.354 3.474 1.00 44.23 H new ATOM 0 HB ILE A 47 -1.900 12.615 4.628 1.00 30.52 H new ATOM 0 HG12 ILE A 47 -0.511 15.301 4.942 1.00 55.12 H new ATOM 0 HG13 ILE A 47 -1.465 14.501 6.175 1.00 55.12 H new ATOM 0 HG21 ILE A 47 0.175 12.793 3.306 1.00 22.45 H new ATOM 0 HG22 ILE A 47 -1.270 12.784 2.268 1.00 22.45 H new ATOM 0 HG23 ILE A 47 -0.417 14.312 2.592 1.00 22.45 H new ATOM 0 HD11 ILE A 47 0.927 14.170 6.566 1.00 45.21 H new ATOM 0 HD12 ILE A 47 0.133 12.618 6.209 1.00 45.21 H new ATOM 0 HD13 ILE A 47 1.102 13.431 4.957 1.00 45.21 H new ATOM 717 N GLY A 48 -4.324 12.592 3.179 1.00 22.02 N ATOM 718 CA GLY A 48 -5.079 11.774 2.248 1.00 4.14 C ATOM 719 C GLY A 48 -4.299 10.555 1.809 1.00 43.43 C ATOM 720 O GLY A 48 -3.069 10.599 1.722 1.00 50.23 O ATOM 0 H GLY A 48 -4.393 12.300 4.154 1.00 22.02 H new ATOM 0 HA2 GLY A 48 -6.012 11.459 2.715 1.00 4.14 H new ATOM 0 HA3 GLY A 48 -5.345 12.369 1.374 1.00 4.14 H new ATOM 724 N HIS A 49 -5.004 9.465 1.535 1.00 62.44 N ATOM 725 CA HIS A 49 -4.356 8.223 1.134 1.00 42.32 C ATOM 726 C HIS A 49 -5.187 7.512 0.074 1.00 25.22 C ATOM 727 O HIS A 49 -6.414 7.480 0.157 1.00 61.52 O ATOM 728 CB HIS A 49 -4.147 7.297 2.347 1.00 62.52 C ATOM 729 CG HIS A 49 -5.386 6.575 2.808 1.00 14.32 C ATOM 730 ND1 HIS A 49 -6.450 7.199 3.424 1.00 43.40 N ATOM 731 CD2 HIS A 49 -5.731 5.268 2.712 1.00 20.20 C ATOM 732 CE1 HIS A 49 -7.391 6.312 3.683 1.00 41.13 C ATOM 733 NE2 HIS A 49 -6.982 5.133 3.261 1.00 70.53 N ATOM 0 H HIS A 49 -6.022 9.415 1.583 1.00 62.44 H new ATOM 0 HA HIS A 49 -3.380 8.469 0.715 1.00 42.32 H new ATOM 0 HB2 HIS A 49 -3.385 6.559 2.097 1.00 62.52 H new ATOM 0 HB3 HIS A 49 -3.758 7.888 3.176 1.00 62.52 H new ATOM 0 HD1 HIS A 49 -6.501 8.193 3.645 1.00 43.40 H new ATOM 0 HD2 HIS A 49 -5.132 4.478 2.283 1.00 20.20 H new ATOM 0 HE1 HIS A 49 -8.338 6.518 4.161 1.00 41.13 H new ATOM 742 N LEU A 50 -4.524 6.945 -0.918 1.00 44.31 N ATOM 743 CA LEU A 50 -5.210 6.162 -1.928 1.00 44.21 C ATOM 744 C LEU A 50 -4.705 4.732 -1.924 1.00 41.33 C ATOM 745 O LEU A 50 -3.581 4.459 -2.344 1.00 72.41 O ATOM 746 CB LEU A 50 -5.034 6.780 -3.318 1.00 50.20 C ATOM 747 CG LEU A 50 -5.704 8.146 -3.523 1.00 12.11 C ATOM 748 CD1 LEU A 50 -5.500 8.629 -4.955 1.00 22.52 C ATOM 749 CD2 LEU A 50 -7.189 8.067 -3.196 1.00 4.45 C ATOM 0 H LEU A 50 -3.514 7.012 -1.045 1.00 44.31 H new ATOM 0 HA LEU A 50 -6.273 6.161 -1.687 1.00 44.21 H new ATOM 0 HB2 LEU A 50 -3.968 6.884 -3.518 1.00 50.20 H new ATOM 0 HB3 LEU A 50 -5.431 6.085 -4.058 1.00 50.20 H new ATOM 0 HG LEU A 50 -5.239 8.863 -2.846 1.00 12.11 H new ATOM 0 HD11 LEU A 50 -5.981 9.599 -5.084 1.00 22.52 H new ATOM 0 HD12 LEU A 50 -4.433 8.723 -5.159 1.00 22.52 H new ATOM 0 HD13 LEU A 50 -5.940 7.911 -5.647 1.00 22.52 H new ATOM 0 HD21 LEU A 50 -7.647 9.044 -3.347 1.00 4.45 H new ATOM 0 HD22 LEU A 50 -7.667 7.337 -3.849 1.00 4.45 H new ATOM 0 HD23 LEU A 50 -7.317 7.763 -2.157 1.00 4.45 H new ATOM 761 N VAL A 51 -5.528 3.827 -1.416 1.00 63.04 N ATOM 762 CA VAL A 51 -5.212 2.406 -1.460 1.00 25.42 C ATOM 763 C VAL A 51 -5.653 1.840 -2.804 1.00 54.10 C ATOM 764 O VAL A 51 -6.850 1.791 -3.105 1.00 23.44 O ATOM 765 CB VAL A 51 -5.893 1.620 -0.319 1.00 75.35 C ATOM 766 CG1 VAL A 51 -5.523 0.140 -0.384 1.00 12.23 C ATOM 767 CG2 VAL A 51 -5.514 2.201 1.034 1.00 50.34 C ATOM 0 H VAL A 51 -6.418 4.050 -0.969 1.00 63.04 H new ATOM 0 HA VAL A 51 -4.135 2.298 -1.332 1.00 25.42 H new ATOM 0 HB VAL A 51 -6.972 1.710 -0.444 1.00 75.35 H new ATOM 0 HG11 VAL A 51 -6.014 -0.394 0.429 1.00 12.23 H new ATOM 0 HG12 VAL A 51 -5.848 -0.275 -1.338 1.00 12.23 H new ATOM 0 HG13 VAL A 51 -4.443 0.031 -0.290 1.00 12.23 H new ATOM 0 HG21 VAL A 51 -6.004 1.633 1.824 1.00 50.34 H new ATOM 0 HG22 VAL A 51 -4.433 2.145 1.164 1.00 50.34 H new ATOM 0 HG23 VAL A 51 -5.832 3.242 1.085 1.00 50.34 H new ATOM 777 N LEU A 52 -4.686 1.441 -3.610 1.00 53.10 N ATOM 778 CA LEU A 52 -4.962 0.966 -4.950 1.00 52.01 C ATOM 779 C LEU A 52 -4.811 -0.545 -5.030 1.00 64.33 C ATOM 780 O LEU A 52 -3.716 -1.090 -4.848 1.00 54.33 O ATOM 781 CB LEU A 52 -4.034 1.649 -5.957 1.00 1.15 C ATOM 782 CG LEU A 52 -4.302 1.307 -7.426 1.00 63.31 C ATOM 783 CD1 LEU A 52 -5.693 1.757 -7.836 1.00 22.43 C ATOM 784 CD2 LEU A 52 -3.251 1.946 -8.322 1.00 20.43 C ATOM 0 H LEU A 52 -3.698 1.437 -3.356 1.00 53.10 H new ATOM 0 HA LEU A 52 -5.993 1.218 -5.197 1.00 52.01 H new ATOM 0 HB2 LEU A 52 -4.118 2.728 -5.831 1.00 1.15 H new ATOM 0 HB3 LEU A 52 -3.005 1.379 -5.720 1.00 1.15 H new ATOM 0 HG LEU A 52 -4.244 0.225 -7.541 1.00 63.31 H new ATOM 0 HD11 LEU A 52 -5.863 1.505 -8.883 1.00 22.43 H new ATOM 0 HD12 LEU A 52 -6.435 1.254 -7.216 1.00 22.43 H new ATOM 0 HD13 LEU A 52 -5.780 2.835 -7.704 1.00 22.43 H new ATOM 0 HD21 LEU A 52 -3.457 1.693 -9.362 1.00 20.43 H new ATOM 0 HD22 LEU A 52 -3.279 3.029 -8.200 1.00 20.43 H new ATOM 0 HD23 LEU A 52 -2.264 1.575 -8.047 1.00 20.43 H new ATOM 796 N ASP A 53 -5.925 -1.212 -5.280 1.00 12.04 N ATOM 797 CA ASP A 53 -5.944 -2.653 -5.472 1.00 15.32 C ATOM 798 C ASP A 53 -7.165 -3.034 -6.297 1.00 34.11 C ATOM 799 O ASP A 53 -7.843 -2.163 -6.851 1.00 63.20 O ATOM 800 CB ASP A 53 -5.956 -3.390 -4.126 1.00 41.45 C ATOM 801 CG ASP A 53 -7.249 -3.201 -3.350 1.00 75.33 C ATOM 802 OD1 ASP A 53 -7.520 -2.071 -2.898 1.00 73.40 O ATOM 803 OD2 ASP A 53 -7.990 -4.192 -3.178 1.00 52.03 O ATOM 0 H ASP A 53 -6.841 -0.771 -5.356 1.00 12.04 H new ATOM 0 HA ASP A 53 -5.039 -2.949 -6.002 1.00 15.32 H new ATOM 0 HB2 ASP A 53 -5.797 -4.454 -4.301 1.00 41.45 H new ATOM 0 HB3 ASP A 53 -5.121 -3.038 -3.519 1.00 41.45 H new ATOM 808 N GLN A 54 -7.441 -4.322 -6.395 1.00 30.03 N ATOM 809 CA GLN A 54 -8.593 -4.796 -7.142 1.00 1.52 C ATOM 810 C GLN A 54 -9.735 -5.117 -6.189 1.00 64.02 C ATOM 811 O GLN A 54 -9.765 -6.181 -5.570 1.00 20.10 O ATOM 812 CB GLN A 54 -8.229 -6.026 -7.971 1.00 23.14 C ATOM 813 CG GLN A 54 -7.079 -5.795 -8.936 1.00 43.32 C ATOM 814 CD GLN A 54 -6.767 -7.018 -9.773 1.00 14.13 C ATOM 815 OE1 GLN A 54 -7.653 -7.813 -10.087 1.00 43.43 O ATOM 816 NE2 GLN A 54 -5.505 -7.183 -10.134 1.00 25.32 N ATOM 0 H GLN A 54 -6.882 -5.060 -5.966 1.00 30.03 H new ATOM 0 HA GLN A 54 -8.914 -4.009 -7.824 1.00 1.52 H new ATOM 0 HB2 GLN A 54 -7.968 -6.842 -7.298 1.00 23.14 H new ATOM 0 HB3 GLN A 54 -9.106 -6.346 -8.535 1.00 23.14 H new ATOM 0 HG2 GLN A 54 -7.324 -4.961 -9.594 1.00 43.32 H new ATOM 0 HG3 GLN A 54 -6.190 -5.507 -8.374 1.00 43.32 H new ATOM 0 HE21 GLN A 54 -4.801 -6.501 -9.853 1.00 25.32 H new ATOM 0 HE22 GLN A 54 -5.236 -7.993 -10.693 1.00 25.32 H new ATOM 825 N ASN A 55 -10.682 -4.196 -6.085 1.00 35.44 N ATOM 826 CA ASN A 55 -11.770 -4.309 -5.116 1.00 51.12 C ATOM 827 C ASN A 55 -12.887 -5.216 -5.634 1.00 53.13 C ATOM 828 O ASN A 55 -14.064 -4.969 -5.372 1.00 22.34 O ATOM 829 CB ASN A 55 -12.348 -2.923 -4.797 1.00 1.13 C ATOM 830 CG ASN A 55 -11.322 -1.960 -4.234 1.00 2.45 C ATOM 831 OD1 ASN A 55 -10.668 -1.227 -4.977 1.00 12.11 O ATOM 832 ND2 ASN A 55 -11.187 -1.943 -2.921 1.00 24.14 N ATOM 0 H ASN A 55 -10.721 -3.356 -6.662 1.00 35.44 H new ATOM 0 HA ASN A 55 -11.356 -4.751 -4.210 1.00 51.12 H new ATOM 0 HB2 ASN A 55 -12.775 -2.498 -5.705 1.00 1.13 H new ATOM 0 HB3 ASN A 55 -13.163 -3.033 -4.082 1.00 1.13 H new ATOM 0 HD21 ASN A 55 -10.521 -1.305 -2.485 1.00 24.14 H new ATOM 0 HD22 ASN A 55 -11.749 -2.567 -2.342 1.00 24.14 H new ATOM 839 N MET A 56 -12.522 -6.265 -6.368 1.00 2.23 N ATOM 840 CA MET A 56 -13.506 -7.204 -6.900 1.00 21.24 C ATOM 841 C MET A 56 -12.864 -8.571 -7.147 1.00 15.04 C ATOM 842 O MET A 56 -13.389 -9.397 -7.898 1.00 63.23 O ATOM 843 CB MET A 56 -14.118 -6.656 -8.198 1.00 5.23 C ATOM 844 CG MET A 56 -15.369 -7.394 -8.647 1.00 11.25 C ATOM 845 SD MET A 56 -16.025 -6.768 -10.202 1.00 11.53 S ATOM 846 CE MET A 56 -17.493 -7.781 -10.368 1.00 54.40 C ATOM 0 H MET A 56 -11.555 -6.485 -6.607 1.00 2.23 H new ATOM 0 HA MET A 56 -14.302 -7.326 -6.165 1.00 21.24 H new ATOM 0 HB2 MET A 56 -14.360 -5.602 -8.058 1.00 5.23 H new ATOM 0 HB3 MET A 56 -13.372 -6.709 -8.991 1.00 5.23 H new ATOM 0 HG2 MET A 56 -15.141 -8.455 -8.754 1.00 11.25 H new ATOM 0 HG3 MET A 56 -16.133 -7.309 -7.874 1.00 11.25 H new ATOM 0 HE1 MET A 56 -18.016 -7.516 -11.287 1.00 54.40 H new ATOM 0 HE2 MET A 56 -17.207 -8.832 -10.404 1.00 54.40 H new ATOM 0 HE3 MET A 56 -18.150 -7.612 -9.515 1.00 54.40 H new ATOM 856 N SER A 57 -11.737 -8.819 -6.493 1.00 12.03 N ATOM 857 CA SER A 57 -11.035 -10.085 -6.643 1.00 42.33 C ATOM 858 C SER A 57 -11.761 -11.194 -5.882 1.00 72.51 C ATOM 859 O SER A 57 -11.836 -11.178 -4.652 1.00 23.43 O ATOM 860 CB SER A 57 -9.594 -9.948 -6.147 1.00 31.35 C ATOM 861 OG SER A 57 -8.910 -8.930 -6.858 1.00 11.22 O ATOM 0 H SER A 57 -11.290 -8.161 -5.855 1.00 12.03 H new ATOM 0 HA SER A 57 -11.017 -10.352 -7.700 1.00 42.33 H new ATOM 0 HB2 SER A 57 -9.592 -9.718 -5.082 1.00 31.35 H new ATOM 0 HB3 SER A 57 -9.071 -10.897 -6.269 1.00 31.35 H new ATOM 0 HG SER A 57 -7.992 -8.858 -6.524 1.00 11.22 H new ATOM 867 N ILE A 58 -12.309 -12.145 -6.624 1.00 11.54 N ATOM 868 CA ILE A 58 -13.037 -13.246 -6.025 1.00 21.30 C ATOM 869 C ILE A 58 -12.305 -14.569 -6.261 1.00 42.51 C ATOM 870 O ILE A 58 -12.309 -15.126 -7.361 1.00 1.02 O ATOM 871 CB ILE A 58 -14.493 -13.321 -6.556 1.00 52.54 C ATOM 872 CG1 ILE A 58 -15.215 -14.551 -5.999 1.00 74.22 C ATOM 873 CG2 ILE A 58 -14.522 -13.321 -8.079 1.00 23.31 C ATOM 874 CD1 ILE A 58 -15.393 -14.524 -4.494 1.00 64.53 C ATOM 0 H ILE A 58 -12.261 -12.173 -7.642 1.00 11.54 H new ATOM 0 HA ILE A 58 -13.087 -13.065 -4.951 1.00 21.30 H new ATOM 0 HB ILE A 58 -15.020 -12.432 -6.210 1.00 52.54 H new ATOM 0 HG12 ILE A 58 -16.195 -14.631 -6.470 1.00 74.22 H new ATOM 0 HG13 ILE A 58 -14.655 -15.445 -6.274 1.00 74.22 H new ATOM 0 HG21 ILE A 58 -15.555 -13.374 -8.423 1.00 23.31 H new ATOM 0 HG22 ILE A 58 -14.062 -12.406 -8.452 1.00 23.31 H new ATOM 0 HG23 ILE A 58 -13.970 -14.183 -8.453 1.00 23.31 H new ATOM 0 HD11 ILE A 58 -15.912 -15.427 -4.173 1.00 64.53 H new ATOM 0 HD12 ILE A 58 -14.416 -14.476 -4.013 1.00 64.53 H new ATOM 0 HD13 ILE A 58 -15.979 -13.649 -4.213 1.00 64.53 H new ATOM 886 N LEU A 59 -11.647 -15.044 -5.222 1.00 61.44 N ATOM 887 CA LEU A 59 -10.940 -16.310 -5.270 1.00 65.42 C ATOM 888 C LEU A 59 -11.488 -17.206 -4.169 1.00 41.55 C ATOM 889 O LEU A 59 -11.632 -16.768 -3.028 1.00 74.01 O ATOM 890 CB LEU A 59 -9.430 -16.074 -5.092 1.00 70.30 C ATOM 891 CG LEU A 59 -8.495 -17.144 -5.683 1.00 51.23 C ATOM 892 CD1 LEU A 59 -8.581 -18.450 -4.908 1.00 4.11 C ATOM 893 CD2 LEU A 59 -8.816 -17.377 -7.152 1.00 31.15 C ATOM 0 H LEU A 59 -11.587 -14.566 -4.323 1.00 61.44 H new ATOM 0 HA LEU A 59 -11.088 -16.794 -6.235 1.00 65.42 H new ATOM 0 HB2 LEU A 59 -9.179 -15.114 -5.543 1.00 70.30 H new ATOM 0 HB3 LEU A 59 -9.221 -15.989 -4.026 1.00 70.30 H new ATOM 0 HG LEU A 59 -7.473 -16.774 -5.599 1.00 51.23 H new ATOM 0 HD11 LEU A 59 -7.908 -19.182 -5.353 1.00 4.11 H new ATOM 0 HD12 LEU A 59 -8.294 -18.277 -3.871 1.00 4.11 H new ATOM 0 HD13 LEU A 59 -9.603 -18.828 -4.944 1.00 4.11 H new ATOM 0 HD21 LEU A 59 -8.146 -18.136 -7.555 1.00 31.15 H new ATOM 0 HD22 LEU A 59 -9.848 -17.715 -7.250 1.00 31.15 H new ATOM 0 HD23 LEU A 59 -8.685 -16.447 -7.705 1.00 31.15 H new ATOM 905 N GLU A 60 -11.829 -18.438 -4.523 1.00 74.53 N ATOM 906 CA GLU A 60 -12.389 -19.383 -3.567 1.00 3.23 C ATOM 907 C GLU A 60 -11.377 -19.749 -2.477 1.00 74.13 C ATOM 908 O GLU A 60 -10.495 -20.588 -2.669 1.00 43.42 O ATOM 909 CB GLU A 60 -12.901 -20.626 -4.298 1.00 20.22 C ATOM 910 CG GLU A 60 -11.893 -21.241 -5.254 1.00 32.54 C ATOM 911 CD GLU A 60 -12.533 -22.238 -6.192 1.00 0.34 C ATOM 912 OE1 GLU A 60 -12.636 -23.430 -5.829 1.00 3.13 O ATOM 913 OE2 GLU A 60 -12.960 -21.828 -7.290 1.00 5.31 O ATOM 0 H GLU A 60 -11.727 -18.807 -5.468 1.00 74.53 H new ATOM 0 HA GLU A 60 -13.231 -18.906 -3.066 1.00 3.23 H new ATOM 0 HB2 GLU A 60 -13.190 -21.375 -3.561 1.00 20.22 H new ATOM 0 HB3 GLU A 60 -13.800 -20.363 -4.855 1.00 20.22 H new ATOM 0 HG2 GLU A 60 -11.417 -20.451 -5.835 1.00 32.54 H new ATOM 0 HG3 GLU A 60 -11.107 -21.735 -4.683 1.00 32.54 H new ATOM 920 N GLY A 61 -11.497 -19.077 -1.344 1.00 44.42 N ATOM 921 CA GLY A 61 -10.627 -19.338 -0.217 1.00 23.02 C ATOM 922 C GLY A 61 -10.199 -18.061 0.471 1.00 41.23 C ATOM 923 O GLY A 61 -10.222 -16.989 -0.133 1.00 51.30 O ATOM 0 H GLY A 61 -12.190 -18.346 -1.183 1.00 44.42 H new ATOM 0 HA2 GLY A 61 -11.141 -19.981 0.498 1.00 23.02 H new ATOM 0 HA3 GLY A 61 -9.745 -19.881 -0.557 1.00 23.02 H new ATOM 927 N SER A 62 -9.824 -18.162 1.733 1.00 11.11 N ATOM 928 CA SER A 62 -9.375 -17.004 2.481 1.00 54.42 C ATOM 929 C SER A 62 -7.852 -16.925 2.472 1.00 13.31 C ATOM 930 O SER A 62 -7.180 -17.376 3.403 1.00 73.52 O ATOM 931 CB SER A 62 -9.912 -17.061 3.909 1.00 41.20 C ATOM 932 OG SER A 62 -11.328 -17.181 3.897 1.00 35.51 O ATOM 0 H SER A 62 -9.822 -19.035 2.261 1.00 11.11 H new ATOM 0 HA SER A 62 -9.762 -16.103 2.006 1.00 54.42 H new ATOM 0 HB2 SER A 62 -9.473 -17.907 4.437 1.00 41.20 H new ATOM 0 HB3 SER A 62 -9.621 -16.161 4.451 1.00 41.20 H new ATOM 0 HG SER A 62 -11.661 -17.218 4.818 1.00 35.51 H new ATOM 938 N LEU A 63 -7.316 -16.367 1.397 1.00 24.32 N ATOM 939 CA LEU A 63 -5.878 -16.261 1.223 1.00 31.54 C ATOM 940 C LEU A 63 -5.525 -14.904 0.625 1.00 72.13 C ATOM 941 O LEU A 63 -5.912 -14.592 -0.503 1.00 2.33 O ATOM 942 CB LEU A 63 -5.379 -17.393 0.314 1.00 33.31 C ATOM 943 CG LEU A 63 -3.856 -17.509 0.166 1.00 64.12 C ATOM 944 CD1 LEU A 63 -3.215 -17.858 1.498 1.00 63.41 C ATOM 945 CD2 LEU A 63 -3.502 -18.551 -0.888 1.00 14.14 C ATOM 0 H LEU A 63 -7.861 -15.978 0.628 1.00 24.32 H new ATOM 0 HA LEU A 63 -5.391 -16.351 2.194 1.00 31.54 H new ATOM 0 HB2 LEU A 63 -5.761 -18.338 0.700 1.00 33.31 H new ATOM 0 HB3 LEU A 63 -5.812 -17.255 -0.677 1.00 33.31 H new ATOM 0 HG LEU A 63 -3.467 -16.544 -0.158 1.00 64.12 H new ATOM 0 HD11 LEU A 63 -2.135 -17.936 1.373 1.00 63.41 H new ATOM 0 HD12 LEU A 63 -3.441 -17.078 2.226 1.00 63.41 H new ATOM 0 HD13 LEU A 63 -3.609 -18.810 1.853 1.00 63.41 H new ATOM 0 HD21 LEU A 63 -2.418 -18.621 -0.981 1.00 14.14 H new ATOM 0 HD22 LEU A 63 -3.904 -19.520 -0.591 1.00 14.14 H new ATOM 0 HD23 LEU A 63 -3.930 -18.259 -1.847 1.00 14.14 H new ATOM 957 N GLY A 64 -4.793 -14.105 1.383 1.00 21.11 N ATOM 958 CA GLY A 64 -4.403 -12.791 0.917 1.00 25.04 C ATOM 959 C GLY A 64 -3.204 -12.850 -0.005 1.00 24.41 C ATOM 960 O GLY A 64 -2.072 -13.018 0.452 1.00 40.25 O ATOM 0 H GLY A 64 -4.460 -14.344 2.317 1.00 21.11 H new ATOM 0 HA2 GLY A 64 -5.240 -12.328 0.394 1.00 25.04 H new ATOM 0 HA3 GLY A 64 -4.172 -12.157 1.773 1.00 25.04 H new ATOM 964 N VAL A 65 -3.452 -12.732 -1.302 1.00 52.20 N ATOM 965 CA VAL A 65 -2.385 -12.804 -2.293 1.00 1.12 C ATOM 966 C VAL A 65 -2.259 -11.474 -3.035 1.00 42.04 C ATOM 967 O VAL A 65 -1.410 -11.307 -3.912 1.00 4.52 O ATOM 968 CB VAL A 65 -2.641 -13.941 -3.315 1.00 3.43 C ATOM 969 CG1 VAL A 65 -1.392 -14.238 -4.132 1.00 64.45 C ATOM 970 CG2 VAL A 65 -3.127 -15.201 -2.617 1.00 71.51 C ATOM 0 H VAL A 65 -4.382 -12.586 -1.694 1.00 52.20 H new ATOM 0 HA VAL A 65 -1.457 -13.016 -1.763 1.00 1.12 H new ATOM 0 HB VAL A 65 -3.421 -13.601 -3.996 1.00 3.43 H new ATOM 0 HG11 VAL A 65 -1.602 -15.040 -4.840 1.00 64.45 H new ATOM 0 HG12 VAL A 65 -1.092 -13.343 -4.676 1.00 64.45 H new ATOM 0 HG13 VAL A 65 -0.586 -14.545 -3.466 1.00 64.45 H new ATOM 0 HG21 VAL A 65 -3.299 -15.983 -3.356 1.00 71.51 H new ATOM 0 HG22 VAL A 65 -2.374 -15.535 -1.904 1.00 71.51 H new ATOM 0 HG23 VAL A 65 -4.057 -14.989 -2.090 1.00 71.51 H new ATOM 980 N ILE A 66 -3.104 -10.517 -2.672 1.00 62.51 N ATOM 981 CA ILE A 66 -3.108 -9.219 -3.325 1.00 32.11 C ATOM 982 C ILE A 66 -2.386 -8.191 -2.459 1.00 74.42 C ATOM 983 O ILE A 66 -2.894 -7.785 -1.409 1.00 23.21 O ATOM 984 CB ILE A 66 -4.546 -8.716 -3.628 1.00 61.45 C ATOM 985 CG1 ILE A 66 -5.269 -9.645 -4.617 1.00 53.35 C ATOM 986 CG2 ILE A 66 -4.510 -7.296 -4.182 1.00 10.24 C ATOM 987 CD1 ILE A 66 -5.820 -10.912 -3.997 1.00 24.33 C ATOM 0 H ILE A 66 -3.795 -10.618 -1.928 1.00 62.51 H new ATOM 0 HA ILE A 66 -2.588 -9.340 -4.275 1.00 32.11 H new ATOM 0 HB ILE A 66 -5.100 -8.720 -2.689 1.00 61.45 H new ATOM 0 HG12 ILE A 66 -6.089 -9.095 -5.080 1.00 53.35 H new ATOM 0 HG13 ILE A 66 -4.577 -9.916 -5.414 1.00 53.35 H new ATOM 0 HG21 ILE A 66 -5.526 -6.960 -4.388 1.00 10.24 H new ATOM 0 HG22 ILE A 66 -4.050 -6.632 -3.451 1.00 10.24 H new ATOM 0 HG23 ILE A 66 -3.928 -7.280 -5.104 1.00 10.24 H new ATOM 0 HD11 ILE A 66 -6.313 -11.508 -4.765 1.00 24.33 H new ATOM 0 HD12 ILE A 66 -5.004 -11.487 -3.559 1.00 24.33 H new ATOM 0 HD13 ILE A 66 -6.540 -10.654 -3.220 1.00 24.33 H new ATOM 999 N PRO A 67 -1.179 -7.777 -2.872 1.00 75.34 N ATOM 1000 CA PRO A 67 -0.420 -6.749 -2.165 1.00 24.10 C ATOM 1001 C PRO A 67 -1.006 -5.363 -2.400 1.00 63.10 C ATOM 1002 O PRO A 67 -0.691 -4.695 -3.389 1.00 24.20 O ATOM 1003 CB PRO A 67 0.982 -6.861 -2.761 1.00 74.35 C ATOM 1004 CG PRO A 67 0.779 -7.431 -4.124 1.00 35.24 C ATOM 1005 CD PRO A 67 -0.462 -8.284 -4.057 1.00 1.54 C ATOM 0 HA PRO A 67 -0.434 -6.889 -1.084 1.00 24.10 H new ATOM 0 HB2 PRO A 67 1.469 -5.887 -2.809 1.00 74.35 H new ATOM 0 HB3 PRO A 67 1.618 -7.506 -2.155 1.00 74.35 H new ATOM 0 HG2 PRO A 67 0.663 -6.637 -4.862 1.00 35.24 H new ATOM 0 HG3 PRO A 67 1.641 -8.025 -4.427 1.00 35.24 H new ATOM 0 HD2 PRO A 67 -1.064 -8.185 -4.960 1.00 1.54 H new ATOM 0 HD3 PRO A 67 -0.215 -9.341 -3.953 1.00 1.54 H new ATOM 1013 N ARG A 68 -1.881 -4.950 -1.499 1.00 23.43 N ATOM 1014 CA ARG A 68 -2.558 -3.672 -1.620 1.00 2.31 C ATOM 1015 C ARG A 68 -1.590 -2.534 -1.328 1.00 61.23 C ATOM 1016 O ARG A 68 -0.833 -2.584 -0.361 1.00 62.53 O ATOM 1017 CB ARG A 68 -3.770 -3.632 -0.687 1.00 64.11 C ATOM 1018 CG ARG A 68 -4.824 -4.661 -1.059 1.00 30.33 C ATOM 1019 CD ARG A 68 -6.010 -4.663 -0.108 1.00 32.52 C ATOM 1020 NE ARG A 68 -7.077 -5.538 -0.602 1.00 11.41 N ATOM 1021 CZ ARG A 68 -7.934 -6.204 0.169 1.00 33.12 C ATOM 1022 NH1 ARG A 68 -7.879 -6.096 1.488 1.00 34.01 N ATOM 1023 NH2 ARG A 68 -8.855 -6.976 -0.387 1.00 62.05 N ATOM 0 H ARG A 68 -2.140 -5.486 -0.671 1.00 23.43 H new ATOM 0 HA ARG A 68 -2.916 -3.549 -2.642 1.00 2.31 H new ATOM 0 HB2 ARG A 68 -3.442 -3.807 0.338 1.00 64.11 H new ATOM 0 HB3 ARG A 68 -4.213 -2.636 -0.714 1.00 64.11 H new ATOM 0 HG2 ARG A 68 -5.177 -4.463 -2.071 1.00 30.33 H new ATOM 0 HG3 ARG A 68 -4.370 -5.652 -1.068 1.00 30.33 H new ATOM 0 HD2 ARG A 68 -5.689 -4.996 0.879 1.00 32.52 H new ATOM 0 HD3 ARG A 68 -6.391 -3.648 0.007 1.00 32.52 H new ATOM 0 HE ARG A 68 -7.170 -5.645 -1.612 1.00 11.41 H new ATOM 0 HH11 ARG A 68 -7.175 -5.498 1.922 1.00 34.01 H new ATOM 0 HH12 ARG A 68 -8.540 -6.610 2.070 1.00 34.01 H new ATOM 0 HH21 ARG A 68 -8.906 -7.059 -1.402 1.00 62.05 H new ATOM 0 HH22 ARG A 68 -9.513 -7.488 0.200 1.00 62.05 H new ATOM 1037 N ARG A 69 -1.608 -1.525 -2.181 1.00 41.32 N ATOM 1038 CA ARG A 69 -0.619 -0.458 -2.124 1.00 72.33 C ATOM 1039 C ARG A 69 -1.247 0.872 -1.750 1.00 71.11 C ATOM 1040 O ARG A 69 -2.296 1.244 -2.270 1.00 43.53 O ATOM 1041 CB ARG A 69 0.077 -0.341 -3.477 1.00 11.21 C ATOM 1042 CG ARG A 69 1.044 -1.474 -3.748 1.00 42.43 C ATOM 1043 CD ARG A 69 1.416 -1.551 -5.215 1.00 43.22 C ATOM 1044 NE ARG A 69 2.669 -2.269 -5.415 1.00 32.32 N ATOM 1045 CZ ARG A 69 2.770 -3.581 -5.627 1.00 64.42 C ATOM 1046 NH1 ARG A 69 1.677 -4.339 -5.690 1.00 35.10 N ATOM 1047 NH2 ARG A 69 3.966 -4.137 -5.762 1.00 51.11 N ATOM 0 H ARG A 69 -2.298 -1.420 -2.925 1.00 41.32 H new ATOM 0 HA ARG A 69 0.107 -0.709 -1.350 1.00 72.33 H new ATOM 0 HB2 ARG A 69 -0.676 -0.317 -4.265 1.00 11.21 H new ATOM 0 HB3 ARG A 69 0.615 0.606 -3.521 1.00 11.21 H new ATOM 0 HG2 ARG A 69 1.945 -1.335 -3.150 1.00 42.43 H new ATOM 0 HG3 ARG A 69 0.597 -2.418 -3.435 1.00 42.43 H new ATOM 0 HD2 ARG A 69 0.619 -2.049 -5.767 1.00 43.22 H new ATOM 0 HD3 ARG A 69 1.505 -0.544 -5.622 1.00 43.22 H new ATOM 0 HE ARG A 69 3.533 -1.727 -5.391 1.00 32.32 H new ATOM 0 HH11 ARG A 69 0.756 -3.916 -5.576 1.00 35.10 H new ATOM 0 HH12 ARG A 69 1.761 -5.342 -5.853 1.00 35.10 H new ATOM 0 HH21 ARG A 69 4.806 -3.561 -5.704 1.00 51.11 H new ATOM 0 HH22 ARG A 69 4.046 -5.141 -5.924 1.00 51.11 H new ATOM 1061 N VAL A 70 -0.598 1.583 -0.842 1.00 73.05 N ATOM 1062 CA VAL A 70 -1.053 2.899 -0.440 1.00 73.21 C ATOM 1063 C VAL A 70 -0.203 3.966 -1.121 1.00 1.31 C ATOM 1064 O VAL A 70 1.009 4.037 -0.907 1.00 42.12 O ATOM 1065 CB VAL A 70 -0.980 3.083 1.091 1.00 0.34 C ATOM 1066 CG1 VAL A 70 -1.547 4.435 1.500 1.00 45.11 C ATOM 1067 CG2 VAL A 70 -1.712 1.956 1.809 1.00 43.13 C ATOM 0 H VAL A 70 0.249 1.267 -0.369 1.00 73.05 H new ATOM 0 HA VAL A 70 -2.095 3.000 -0.744 1.00 73.21 H new ATOM 0 HB VAL A 70 0.069 3.049 1.384 1.00 0.34 H new ATOM 0 HG11 VAL A 70 -1.485 4.543 2.583 1.00 45.11 H new ATOM 0 HG12 VAL A 70 -0.973 5.230 1.023 1.00 45.11 H new ATOM 0 HG13 VAL A 70 -2.589 4.502 1.187 1.00 45.11 H new ATOM 0 HG21 VAL A 70 -1.646 2.108 2.886 1.00 43.13 H new ATOM 0 HG22 VAL A 70 -2.759 1.951 1.506 1.00 43.13 H new ATOM 0 HG23 VAL A 70 -1.255 1.001 1.549 1.00 43.13 H new ATOM 1077 N LEU A 71 -0.828 4.772 -1.959 1.00 21.51 N ATOM 1078 CA LEU A 71 -0.122 5.830 -2.664 1.00 20.04 C ATOM 1079 C LEU A 71 -0.385 7.176 -2.008 1.00 1.24 C ATOM 1080 O LEU A 71 -1.490 7.438 -1.524 1.00 50.04 O ATOM 1081 CB LEU A 71 -0.536 5.879 -4.141 1.00 31.22 C ATOM 1082 CG LEU A 71 0.127 4.844 -5.064 1.00 21.01 C ATOM 1083 CD1 LEU A 71 -0.255 3.425 -4.666 1.00 53.34 C ATOM 1084 CD2 LEU A 71 -0.258 5.113 -6.513 1.00 1.32 C ATOM 0 H LEU A 71 -1.824 4.716 -2.169 1.00 21.51 H new ATOM 0 HA LEU A 71 0.945 5.612 -2.611 1.00 20.04 H new ATOM 0 HB2 LEU A 71 -1.617 5.748 -4.199 1.00 31.22 H new ATOM 0 HB3 LEU A 71 -0.315 6.874 -4.527 1.00 31.22 H new ATOM 0 HG LEU A 71 1.208 4.939 -4.961 1.00 21.01 H new ATOM 0 HD11 LEU A 71 0.229 2.716 -5.337 1.00 53.34 H new ATOM 0 HD12 LEU A 71 0.068 3.235 -3.643 1.00 53.34 H new ATOM 0 HD13 LEU A 71 -1.337 3.307 -4.733 1.00 53.34 H new ATOM 0 HD21 LEU A 71 0.217 4.374 -7.159 1.00 1.32 H new ATOM 0 HD22 LEU A 71 -1.341 5.046 -6.620 1.00 1.32 H new ATOM 0 HD23 LEU A 71 0.074 6.111 -6.798 1.00 1.32 H new ATOM 1096 N VAL A 72 0.641 8.017 -1.979 1.00 45.11 N ATOM 1097 CA VAL A 72 0.528 9.354 -1.407 1.00 1.25 C ATOM 1098 C VAL A 72 0.991 10.393 -2.422 1.00 21.05 C ATOM 1099 O VAL A 72 1.782 10.085 -3.318 1.00 4.23 O ATOM 1100 CB VAL A 72 1.374 9.517 -0.120 1.00 35.14 C ATOM 1101 CG1 VAL A 72 0.911 10.720 0.687 1.00 4.05 C ATOM 1102 CG2 VAL A 72 1.331 8.269 0.731 1.00 22.44 C ATOM 0 H VAL A 72 1.566 7.796 -2.347 1.00 45.11 H new ATOM 0 HA VAL A 72 -0.521 9.501 -1.150 1.00 1.25 H new ATOM 0 HB VAL A 72 2.406 9.681 -0.429 1.00 35.14 H new ATOM 0 HG11 VAL A 72 1.521 10.812 1.585 1.00 4.05 H new ATOM 0 HG12 VAL A 72 1.013 11.623 0.085 1.00 4.05 H new ATOM 0 HG13 VAL A 72 -0.133 10.588 0.970 1.00 4.05 H new ATOM 0 HG21 VAL A 72 1.935 8.418 1.626 1.00 22.44 H new ATOM 0 HG22 VAL A 72 0.301 8.060 1.019 1.00 22.44 H new ATOM 0 HG23 VAL A 72 1.726 7.427 0.162 1.00 22.44 H new ATOM 1112 N HIS A 73 0.478 11.608 -2.285 1.00 60.14 N ATOM 1113 CA HIS A 73 0.908 12.738 -3.099 1.00 73.54 C ATOM 1114 C HIS A 73 2.410 12.972 -2.903 1.00 61.14 C ATOM 1115 O HIS A 73 2.911 12.853 -1.784 1.00 61.44 O ATOM 1116 CB HIS A 73 0.106 13.977 -2.677 1.00 31.51 C ATOM 1117 CG HIS A 73 0.203 15.143 -3.610 1.00 32.44 C ATOM 1118 ND1 HIS A 73 -0.644 15.315 -4.680 1.00 41.12 N ATOM 1119 CD2 HIS A 73 1.019 16.222 -3.601 1.00 62.11 C ATOM 1120 CE1 HIS A 73 -0.353 16.448 -5.288 1.00 4.33 C ATOM 1121 NE2 HIS A 73 0.652 17.022 -4.655 1.00 12.11 N ATOM 0 H HIS A 73 -0.248 11.839 -1.607 1.00 60.14 H new ATOM 0 HA HIS A 73 0.729 12.535 -4.155 1.00 73.54 H new ATOM 0 HB2 HIS A 73 -0.943 13.696 -2.579 1.00 31.51 H new ATOM 0 HB3 HIS A 73 0.445 14.292 -1.690 1.00 31.51 H new ATOM 0 HD2 HIS A 73 1.813 16.418 -2.895 1.00 62.11 H new ATOM 0 HE1 HIS A 73 -0.854 16.841 -6.160 1.00 4.33 H new ATOM 0 HE2 HIS A 73 1.084 17.911 -4.906 1.00 12.11 H new ATOM 1130 N GLU A 74 3.136 13.272 -3.983 1.00 71.12 N ATOM 1131 CA GLU A 74 4.571 13.542 -3.875 1.00 32.12 C ATOM 1132 C GLU A 74 4.823 14.693 -2.911 1.00 5.45 C ATOM 1133 O GLU A 74 3.934 15.517 -2.676 1.00 42.13 O ATOM 1134 CB GLU A 74 5.197 13.864 -5.232 1.00 22.42 C ATOM 1135 CG GLU A 74 5.062 12.749 -6.254 1.00 1.23 C ATOM 1136 CD GLU A 74 5.929 12.971 -7.477 1.00 31.42 C ATOM 1137 OE1 GLU A 74 5.530 13.752 -8.367 1.00 21.31 O ATOM 1138 OE2 GLU A 74 7.010 12.354 -7.559 1.00 71.13 O ATOM 0 H GLU A 74 2.760 13.333 -4.929 1.00 71.12 H new ATOM 0 HA GLU A 74 5.041 12.635 -3.494 1.00 32.12 H new ATOM 0 HB2 GLU A 74 4.733 14.766 -5.630 1.00 22.42 H new ATOM 0 HB3 GLU A 74 6.255 14.086 -5.089 1.00 22.42 H new ATOM 0 HG2 GLU A 74 5.332 11.801 -5.789 1.00 1.23 H new ATOM 0 HG3 GLU A 74 4.020 12.668 -6.562 1.00 1.23 H new ATOM 1145 N ASP A 75 6.035 14.725 -2.353 1.00 54.03 N ATOM 1146 CA ASP A 75 6.422 15.678 -1.305 1.00 11.40 C ATOM 1147 C ASP A 75 5.763 15.307 0.020 1.00 52.41 C ATOM 1148 O ASP A 75 6.426 15.231 1.055 1.00 34.13 O ATOM 1149 CB ASP A 75 6.087 17.123 -1.683 1.00 22.21 C ATOM 1150 CG ASP A 75 6.443 18.103 -0.583 1.00 54.45 C ATOM 1151 OD1 ASP A 75 7.640 18.429 -0.431 1.00 54.53 O ATOM 1152 OD2 ASP A 75 5.528 18.550 0.143 1.00 32.24 O ATOM 0 H ASP A 75 6.784 14.085 -2.617 1.00 54.03 H new ATOM 0 HA ASP A 75 7.505 15.617 -1.196 1.00 11.40 H new ATOM 0 HB2 ASP A 75 6.623 17.392 -2.593 1.00 22.21 H new ATOM 0 HB3 ASP A 75 5.023 17.201 -1.905 1.00 22.21 H new ATOM 1157 N ASP A 76 4.463 15.037 -0.022 1.00 53.04 N ATOM 1158 CA ASP A 76 3.738 14.575 1.151 1.00 22.22 C ATOM 1159 C ASP A 76 4.114 13.127 1.420 1.00 14.33 C ATOM 1160 O ASP A 76 3.885 12.592 2.502 1.00 10.41 O ATOM 1161 CB ASP A 76 2.224 14.702 0.937 1.00 4.11 C ATOM 1162 CG ASP A 76 1.780 16.136 0.714 1.00 13.35 C ATOM 1163 OD1 ASP A 76 1.708 16.908 1.695 1.00 5.11 O ATOM 1164 OD2 ASP A 76 1.506 16.506 -0.448 1.00 64.44 O ATOM 0 H ASP A 76 3.890 15.131 -0.860 1.00 53.04 H new ATOM 0 HA ASP A 76 4.007 15.191 2.009 1.00 22.22 H new ATOM 0 HB2 ASP A 76 1.931 14.098 0.078 1.00 4.11 H new ATOM 0 HB3 ASP A 76 1.704 14.296 1.805 1.00 4.11 H new ATOM 1169 N LEU A 77 4.707 12.513 0.402 1.00 32.55 N ATOM 1170 CA LEU A 77 5.250 11.165 0.484 1.00 31.43 C ATOM 1171 C LEU A 77 6.255 11.084 1.635 1.00 41.03 C ATOM 1172 O LEU A 77 6.220 10.159 2.447 1.00 40.22 O ATOM 1173 CB LEU A 77 5.923 10.825 -0.859 1.00 72.21 C ATOM 1174 CG LEU A 77 6.060 9.336 -1.219 1.00 60.02 C ATOM 1175 CD1 LEU A 77 7.050 8.628 -0.309 1.00 31.41 C ATOM 1176 CD2 LEU A 77 4.702 8.647 -1.179 1.00 10.14 C ATOM 0 H LEU A 77 4.825 12.945 -0.515 1.00 32.55 H new ATOM 0 HA LEU A 77 4.455 10.445 0.678 1.00 31.43 H new ATOM 0 HB2 LEU A 77 5.359 11.314 -1.653 1.00 72.21 H new ATOM 0 HB3 LEU A 77 6.920 11.266 -0.858 1.00 72.21 H new ATOM 0 HG LEU A 77 6.449 9.277 -2.235 1.00 60.02 H new ATOM 0 HD11 LEU A 77 7.120 7.578 -0.594 1.00 31.41 H new ATOM 0 HD12 LEU A 77 8.030 9.096 -0.404 1.00 31.41 H new ATOM 0 HD13 LEU A 77 6.711 8.702 0.724 1.00 31.41 H new ATOM 0 HD21 LEU A 77 4.820 7.595 -1.437 1.00 10.14 H new ATOM 0 HD22 LEU A 77 4.281 8.730 -0.177 1.00 10.14 H new ATOM 0 HD23 LEU A 77 4.031 9.123 -1.895 1.00 10.14 H new ATOM 1188 N ALA A 78 7.132 12.079 1.708 1.00 4.45 N ATOM 1189 CA ALA A 78 8.140 12.147 2.760 1.00 42.41 C ATOM 1190 C ALA A 78 7.490 12.327 4.129 1.00 42.13 C ATOM 1191 O ALA A 78 7.936 11.745 5.121 1.00 3.12 O ATOM 1192 CB ALA A 78 9.123 13.275 2.486 1.00 71.33 C ATOM 0 H ALA A 78 7.165 12.855 1.046 1.00 4.45 H new ATOM 0 HA ALA A 78 8.686 11.204 2.765 1.00 42.41 H new ATOM 0 HB1 ALA A 78 9.867 13.310 3.281 1.00 71.33 H new ATOM 0 HB2 ALA A 78 9.620 13.101 1.532 1.00 71.33 H new ATOM 0 HB3 ALA A 78 8.587 14.223 2.448 1.00 71.33 H new ATOM 1198 N GLY A 79 6.427 13.124 4.171 1.00 43.21 N ATOM 1199 CA GLY A 79 5.698 13.334 5.411 1.00 61.43 C ATOM 1200 C GLY A 79 4.985 12.077 5.865 1.00 12.53 C ATOM 1201 O GLY A 79 5.034 11.718 7.044 1.00 44.13 O ATOM 0 H GLY A 79 6.056 13.630 3.367 1.00 43.21 H new ATOM 0 HA2 GLY A 79 6.389 13.660 6.188 1.00 61.43 H new ATOM 0 HA3 GLY A 79 4.971 14.135 5.274 1.00 61.43 H new ATOM 1205 N ALA A 80 4.335 11.405 4.920 1.00 4.32 N ATOM 1206 CA ALA A 80 3.652 10.148 5.193 1.00 3.35 C ATOM 1207 C ALA A 80 4.631 9.107 5.717 1.00 14.43 C ATOM 1208 O ALA A 80 4.312 8.346 6.631 1.00 14.25 O ATOM 1209 CB ALA A 80 2.960 9.637 3.939 1.00 13.05 C ATOM 0 H ALA A 80 4.268 11.715 3.950 1.00 4.32 H new ATOM 0 HA ALA A 80 2.898 10.328 5.959 1.00 3.35 H new ATOM 0 HB1 ALA A 80 2.454 8.697 4.160 1.00 13.05 H new ATOM 0 HB2 ALA A 80 2.229 10.372 3.602 1.00 13.05 H new ATOM 0 HB3 ALA A 80 3.700 9.475 3.155 1.00 13.05 H new ATOM 1215 N ARG A 81 5.826 9.090 5.136 1.00 75.33 N ATOM 1216 CA ARG A 81 6.893 8.202 5.586 1.00 61.51 C ATOM 1217 C ARG A 81 7.176 8.399 7.070 1.00 71.13 C ATOM 1218 O ARG A 81 7.161 7.443 7.845 1.00 1.54 O ATOM 1219 CB ARG A 81 8.169 8.468 4.790 1.00 34.30 C ATOM 1220 CG ARG A 81 8.225 7.760 3.452 1.00 4.21 C ATOM 1221 CD ARG A 81 9.271 8.379 2.536 1.00 50.24 C ATOM 1222 NE ARG A 81 10.554 8.611 3.205 1.00 12.30 N ATOM 1223 CZ ARG A 81 11.683 8.916 2.559 1.00 44.42 C ATOM 1224 NH1 ARG A 81 11.706 8.948 1.231 1.00 1.10 N ATOM 1225 NH2 ARG A 81 12.795 9.171 3.235 1.00 3.20 N ATOM 0 H ARG A 81 6.081 9.685 4.348 1.00 75.33 H new ATOM 0 HA ARG A 81 6.566 7.175 5.423 1.00 61.51 H new ATOM 0 HB2 ARG A 81 8.264 9.541 4.625 1.00 34.30 H new ATOM 0 HB3 ARG A 81 9.027 8.160 5.387 1.00 34.30 H new ATOM 0 HG2 ARG A 81 8.454 6.706 3.607 1.00 4.21 H new ATOM 0 HG3 ARG A 81 7.247 7.807 2.973 1.00 4.21 H new ATOM 0 HD2 ARG A 81 9.428 7.724 1.679 1.00 50.24 H new ATOM 0 HD3 ARG A 81 8.893 9.325 2.150 1.00 50.24 H new ATOM 0 HE ARG A 81 10.587 8.535 4.222 1.00 12.30 H new ATOM 0 HH11 ARG A 81 10.860 8.739 0.701 1.00 1.10 H new ATOM 0 HH12 ARG A 81 12.570 9.181 0.741 1.00 1.10 H new ATOM 0 HH21 ARG A 81 12.792 9.135 4.254 1.00 3.20 H new ATOM 0 HH22 ARG A 81 13.654 9.403 2.736 1.00 3.20 H new ATOM 1239 N ARG A 82 7.417 9.647 7.458 1.00 64.02 N ATOM 1240 CA ARG A 82 7.754 9.974 8.839 1.00 75.33 C ATOM 1241 C ARG A 82 6.606 9.609 9.777 1.00 14.12 C ATOM 1242 O ARG A 82 6.820 9.027 10.843 1.00 14.40 O ATOM 1243 CB ARG A 82 8.081 11.464 8.958 1.00 43.23 C ATOM 1244 CG ARG A 82 8.659 11.857 10.306 1.00 5.13 C ATOM 1245 CD ARG A 82 8.979 13.340 10.353 1.00 3.14 C ATOM 1246 NE ARG A 82 9.716 13.705 11.560 1.00 33.30 N ATOM 1247 CZ ARG A 82 10.375 14.856 11.708 1.00 2.42 C ATOM 1248 NH1 ARG A 82 10.348 15.768 10.743 1.00 44.41 N ATOM 1249 NH2 ARG A 82 11.058 15.092 12.821 1.00 65.44 N ATOM 0 H ARG A 82 7.385 10.452 6.832 1.00 64.02 H new ATOM 0 HA ARG A 82 8.629 9.393 9.129 1.00 75.33 H new ATOM 0 HB2 ARG A 82 8.790 11.735 8.176 1.00 43.23 H new ATOM 0 HB3 ARG A 82 7.174 12.041 8.779 1.00 43.23 H new ATOM 0 HG2 ARG A 82 7.949 11.610 11.095 1.00 5.13 H new ATOM 0 HG3 ARG A 82 9.564 11.280 10.499 1.00 5.13 H new ATOM 0 HD2 ARG A 82 9.565 13.612 9.475 1.00 3.14 H new ATOM 0 HD3 ARG A 82 8.052 13.912 10.308 1.00 3.14 H new ATOM 0 HE ARG A 82 9.728 13.042 12.335 1.00 33.30 H new ATOM 0 HH11 ARG A 82 9.823 15.589 9.887 1.00 44.41 H new ATOM 0 HH12 ARG A 82 10.852 16.647 10.858 1.00 44.41 H new ATOM 0 HH21 ARG A 82 11.080 14.393 13.564 1.00 65.44 H new ATOM 0 HH22 ARG A 82 11.561 15.972 12.934 1.00 65.44 H new ATOM 1263 N LEU A 83 5.391 9.937 9.353 1.00 5.12 N ATOM 1264 CA LEU A 83 4.192 9.659 10.134 1.00 24.13 C ATOM 1265 C LEU A 83 4.047 8.162 10.402 1.00 74.45 C ATOM 1266 O LEU A 83 3.801 7.743 11.535 1.00 35.22 O ATOM 1267 CB LEU A 83 2.955 10.182 9.395 1.00 53.21 C ATOM 1268 CG LEU A 83 1.627 10.027 10.141 1.00 11.12 C ATOM 1269 CD1 LEU A 83 1.612 10.878 11.403 1.00 4.24 C ATOM 1270 CD2 LEU A 83 0.468 10.397 9.231 1.00 12.15 C ATOM 0 H LEU A 83 5.210 10.401 8.463 1.00 5.12 H new ATOM 0 HA LEU A 83 4.282 10.169 11.093 1.00 24.13 H new ATOM 0 HB2 LEU A 83 3.106 11.238 9.173 1.00 53.21 H new ATOM 0 HB3 LEU A 83 2.878 9.663 8.440 1.00 53.21 H new ATOM 0 HG LEU A 83 1.518 8.984 10.438 1.00 11.12 H new ATOM 0 HD11 LEU A 83 0.659 10.751 11.916 1.00 4.24 H new ATOM 0 HD12 LEU A 83 2.423 10.566 12.062 1.00 4.24 H new ATOM 0 HD13 LEU A 83 1.744 11.927 11.136 1.00 4.24 H new ATOM 0 HD21 LEU A 83 -0.471 10.283 9.773 1.00 12.15 H new ATOM 0 HD22 LEU A 83 0.576 11.432 8.907 1.00 12.15 H new ATOM 0 HD23 LEU A 83 0.466 9.742 8.360 1.00 12.15 H new ATOM 1282 N LEU A 84 4.217 7.363 9.356 1.00 61.44 N ATOM 1283 CA LEU A 84 4.080 5.913 9.458 1.00 24.21 C ATOM 1284 C LEU A 84 5.248 5.291 10.216 1.00 75.34 C ATOM 1285 O LEU A 84 5.125 4.202 10.778 1.00 74.14 O ATOM 1286 CB LEU A 84 3.958 5.288 8.068 1.00 74.33 C ATOM 1287 CG LEU A 84 2.745 5.746 7.258 1.00 55.44 C ATOM 1288 CD1 LEU A 84 2.662 4.983 5.952 1.00 22.14 C ATOM 1289 CD2 LEU A 84 1.467 5.569 8.057 1.00 4.32 C ATOM 0 H LEU A 84 4.452 7.696 8.421 1.00 61.44 H new ATOM 0 HA LEU A 84 3.169 5.707 10.021 1.00 24.21 H new ATOM 0 HB2 LEU A 84 4.861 5.517 7.503 1.00 74.33 H new ATOM 0 HB3 LEU A 84 3.916 4.204 8.176 1.00 74.33 H new ATOM 0 HG LEU A 84 2.864 6.806 7.034 1.00 55.44 H new ATOM 0 HD11 LEU A 84 1.793 5.321 5.388 1.00 22.14 H new ATOM 0 HD12 LEU A 84 3.565 5.161 5.369 1.00 22.14 H new ATOM 0 HD13 LEU A 84 2.568 3.917 6.159 1.00 22.14 H new ATOM 0 HD21 LEU A 84 0.617 5.901 7.461 1.00 4.32 H new ATOM 0 HD22 LEU A 84 1.341 4.517 8.314 1.00 4.32 H new ATOM 0 HD23 LEU A 84 1.524 6.161 8.970 1.00 4.32 H new ATOM 1301 N THR A 85 6.395 5.959 10.192 1.00 44.32 N ATOM 1302 CA THR A 85 7.557 5.490 10.937 1.00 54.14 C ATOM 1303 C THR A 85 7.309 5.606 12.440 1.00 1.25 C ATOM 1304 O THR A 85 7.537 4.654 13.190 1.00 52.52 O ATOM 1305 CB THR A 85 8.836 6.268 10.561 1.00 75.04 C ATOM 1306 OG1 THR A 85 9.056 6.193 9.146 1.00 24.54 O ATOM 1307 CG2 THR A 85 10.046 5.706 11.293 1.00 52.54 C ATOM 0 H THR A 85 6.545 6.821 9.669 1.00 44.32 H new ATOM 0 HA THR A 85 7.709 4.444 10.671 1.00 54.14 H new ATOM 0 HB THR A 85 8.701 7.309 10.856 1.00 75.04 H new ATOM 0 HG1 THR A 85 8.319 6.637 8.676 1.00 24.54 H new ATOM 0 HG21 THR A 85 10.935 6.270 11.012 1.00 52.54 H new ATOM 0 HG22 THR A 85 9.890 5.786 12.369 1.00 52.54 H new ATOM 0 HG23 THR A 85 10.180 4.659 11.023 1.00 52.54 H new ATOM 1315 N ASP A 86 6.828 6.769 12.873 1.00 42.33 N ATOM 1316 CA ASP A 86 6.519 6.987 14.285 1.00 11.44 C ATOM 1317 C ASP A 86 5.370 6.094 14.728 1.00 45.44 C ATOM 1318 O ASP A 86 5.402 5.516 15.815 1.00 73.44 O ATOM 1319 CB ASP A 86 6.160 8.450 14.558 1.00 3.42 C ATOM 1320 CG ASP A 86 7.366 9.364 14.658 1.00 5.50 C ATOM 1321 OD1 ASP A 86 8.121 9.262 15.650 1.00 60.43 O ATOM 1322 OD2 ASP A 86 7.548 10.214 13.762 1.00 41.13 O ATOM 0 H ASP A 86 6.644 7.571 12.271 1.00 42.33 H new ATOM 0 HA ASP A 86 7.413 6.735 14.855 1.00 11.44 H new ATOM 0 HB2 ASP A 86 5.507 8.810 13.762 1.00 3.42 H new ATOM 0 HB3 ASP A 86 5.592 8.509 15.487 1.00 3.42 H new ATOM 1327 N ALA A 87 4.352 5.980 13.885 1.00 61.32 N ATOM 1328 CA ALA A 87 3.196 5.159 14.203 1.00 60.10 C ATOM 1329 C ALA A 87 3.018 4.046 13.185 1.00 71.33 C ATOM 1330 O ALA A 87 2.241 4.168 12.240 1.00 34.32 O ATOM 1331 CB ALA A 87 1.938 6.013 14.298 1.00 23.41 C ATOM 0 H ALA A 87 4.305 6.445 12.979 1.00 61.32 H new ATOM 0 HA ALA A 87 3.369 4.697 15.175 1.00 60.10 H new ATOM 0 HB1 ALA A 87 1.085 5.378 14.537 1.00 23.41 H new ATOM 0 HB2 ALA A 87 2.064 6.761 15.081 1.00 23.41 H new ATOM 0 HB3 ALA A 87 1.764 6.512 13.344 1.00 23.41 H new ATOM 1337 N GLY A 88 3.761 2.971 13.372 1.00 11.15 N ATOM 1338 CA GLY A 88 3.652 1.833 12.497 1.00 34.13 C ATOM 1339 C GLY A 88 4.931 1.032 12.474 1.00 33.01 C ATOM 1340 O GLY A 88 5.168 0.213 13.362 1.00 32.51 O ATOM 0 H GLY A 88 4.444 2.868 14.123 1.00 11.15 H new ATOM 0 HA2 GLY A 88 2.829 1.198 12.824 1.00 34.13 H new ATOM 0 HA3 GLY A 88 3.413 2.169 11.488 1.00 34.13 H new ATOM 1344 N LEU A 89 5.770 1.308 11.481 1.00 30.43 N ATOM 1345 CA LEU A 89 7.033 0.590 11.287 1.00 62.52 C ATOM 1346 C LEU A 89 7.719 1.045 10.003 1.00 55.44 C ATOM 1347 O LEU A 89 8.943 1.131 9.943 1.00 34.04 O ATOM 1348 CB LEU A 89 6.825 -0.942 11.287 1.00 4.14 C ATOM 1349 CG LEU A 89 5.608 -1.474 10.511 1.00 53.43 C ATOM 1350 CD1 LEU A 89 5.903 -1.607 9.027 1.00 20.30 C ATOM 1351 CD2 LEU A 89 5.171 -2.813 11.082 1.00 12.14 C ATOM 0 H LEU A 89 5.597 2.035 10.786 1.00 30.43 H new ATOM 0 HA LEU A 89 7.682 0.831 12.129 1.00 62.52 H new ATOM 0 HB2 LEU A 89 7.721 -1.407 10.875 1.00 4.14 H new ATOM 0 HB3 LEU A 89 6.740 -1.274 12.322 1.00 4.14 H new ATOM 0 HG LEU A 89 4.799 -0.752 10.623 1.00 53.43 H new ATOM 0 HD11 LEU A 89 5.020 -1.986 8.513 1.00 20.30 H new ATOM 0 HD12 LEU A 89 6.170 -0.632 8.620 1.00 20.30 H new ATOM 0 HD13 LEU A 89 6.732 -2.300 8.881 1.00 20.30 H new ATOM 0 HD21 LEU A 89 4.309 -3.182 10.526 1.00 12.14 H new ATOM 0 HD22 LEU A 89 5.989 -3.528 10.999 1.00 12.14 H new ATOM 0 HD23 LEU A 89 4.901 -2.691 12.131 1.00 12.14 H new ATOM 1363 N ALA A 90 6.906 1.348 8.988 1.00 53.03 N ATOM 1364 CA ALA A 90 7.396 1.815 7.685 1.00 14.54 C ATOM 1365 C ALA A 90 8.527 0.935 7.143 1.00 61.30 C ATOM 1366 O ALA A 90 9.602 1.431 6.807 1.00 11.54 O ATOM 1367 CB ALA A 90 7.849 3.268 7.782 1.00 43.22 C ATOM 0 H ALA A 90 5.890 1.277 9.044 1.00 53.03 H new ATOM 0 HA ALA A 90 6.568 1.744 6.980 1.00 14.54 H new ATOM 0 HB1 ALA A 90 8.210 3.602 6.809 1.00 43.22 H new ATOM 0 HB2 ALA A 90 7.010 3.891 8.091 1.00 43.22 H new ATOM 0 HB3 ALA A 90 8.652 3.351 8.515 1.00 43.22 H new ATOM 1373 N HIS A 91 8.285 -0.371 7.053 1.00 52.24 N ATOM 1374 CA HIS A 91 9.311 -1.302 6.576 1.00 64.32 C ATOM 1375 C HIS A 91 9.083 -1.658 5.108 1.00 31.33 C ATOM 1376 O HIS A 91 10.035 -1.834 4.351 1.00 74.15 O ATOM 1377 CB HIS A 91 9.307 -2.579 7.422 1.00 4.25 C ATOM 1378 CG HIS A 91 10.556 -3.407 7.302 1.00 41.35 C ATOM 1379 ND1 HIS A 91 10.825 -4.248 6.239 1.00 4.54 N ATOM 1380 CD2 HIS A 91 11.611 -3.526 8.143 1.00 73.34 C ATOM 1381 CE1 HIS A 91 11.986 -4.846 6.437 1.00 13.23 C ATOM 1382 NE2 HIS A 91 12.486 -4.426 7.586 1.00 44.33 N ATOM 0 H HIS A 91 7.397 -0.808 7.301 1.00 52.24 H new ATOM 0 HA HIS A 91 10.280 -0.812 6.671 1.00 64.32 H new ATOM 0 HB2 HIS A 91 9.165 -2.307 8.468 1.00 4.25 H new ATOM 0 HB3 HIS A 91 8.452 -3.189 7.132 1.00 4.25 H new ATOM 0 HD1 HIS A 91 10.221 -4.385 5.428 1.00 4.54 H new ATOM 0 HD2 HIS A 91 11.741 -3.007 9.081 1.00 73.34 H new ATOM 0 HE1 HIS A 91 12.449 -5.559 5.771 1.00 13.23 H new ATOM 1391 N GLU A 92 7.816 -1.739 4.710 1.00 4.12 N ATOM 1392 CA GLU A 92 7.445 -2.166 3.359 1.00 64.55 C ATOM 1393 C GLU A 92 7.542 -1.015 2.352 1.00 62.54 C ATOM 1394 O GLU A 92 6.896 -1.057 1.303 1.00 21.32 O ATOM 1395 CB GLU A 92 6.013 -2.718 3.353 1.00 22.51 C ATOM 1396 CG GLU A 92 5.782 -3.878 4.314 1.00 53.44 C ATOM 1397 CD GLU A 92 4.359 -4.409 4.256 1.00 51.33 C ATOM 1398 OE1 GLU A 92 3.459 -3.779 4.844 1.00 64.45 O ATOM 1399 OE2 GLU A 92 4.137 -5.459 3.613 1.00 4.14 O ATOM 0 H GLU A 92 7.021 -1.513 5.308 1.00 4.12 H new ATOM 0 HA GLU A 92 8.148 -2.944 3.061 1.00 64.55 H new ATOM 0 HB2 GLU A 92 5.324 -1.911 3.604 1.00 22.51 H new ATOM 0 HB3 GLU A 92 5.767 -3.044 2.343 1.00 22.51 H new ATOM 0 HG2 GLU A 92 6.477 -4.684 4.079 1.00 53.44 H new ATOM 0 HG3 GLU A 92 6.004 -3.553 5.330 1.00 53.44 H new ATOM 1406 N LEU A 93 8.373 -0.020 2.662 1.00 71.31 N ATOM 1407 CA LEU A 93 8.490 1.194 1.848 1.00 42.40 C ATOM 1408 C LEU A 93 8.692 0.869 0.369 1.00 64.12 C ATOM 1409 O LEU A 93 9.702 0.267 -0.008 1.00 34.10 O ATOM 1410 CB LEU A 93 9.642 2.065 2.354 1.00 23.12 C ATOM 1411 CG LEU A 93 9.474 2.605 3.776 1.00 33.00 C ATOM 1412 CD1 LEU A 93 10.689 3.423 4.185 1.00 32.53 C ATOM 1413 CD2 LEU A 93 8.209 3.444 3.883 1.00 35.34 C ATOM 0 H LEU A 93 8.982 -0.030 3.480 1.00 71.31 H new ATOM 0 HA LEU A 93 7.553 1.743 1.944 1.00 42.40 H new ATOM 0 HB2 LEU A 93 10.563 1.483 2.310 1.00 23.12 H new ATOM 0 HB3 LEU A 93 9.765 2.908 1.674 1.00 23.12 H new ATOM 0 HG LEU A 93 9.385 1.757 4.455 1.00 33.00 H new ATOM 0 HD11 LEU A 93 10.550 3.798 5.199 1.00 32.53 H new ATOM 0 HD12 LEU A 93 11.579 2.795 4.149 1.00 32.53 H new ATOM 0 HD13 LEU A 93 10.809 4.263 3.501 1.00 32.53 H new ATOM 0 HD21 LEU A 93 8.106 3.819 4.901 1.00 35.34 H new ATOM 0 HD22 LEU A 93 8.270 4.284 3.191 1.00 35.34 H new ATOM 0 HD23 LEU A 93 7.343 2.830 3.634 1.00 35.34 H new ATOM 1425 N ARG A 94 7.726 1.296 -0.450 1.00 72.45 N ATOM 1426 CA ARG A 94 7.667 0.953 -1.874 1.00 14.23 C ATOM 1427 C ARG A 94 7.473 -0.549 -2.066 1.00 41.41 C ATOM 1428 O ARG A 94 6.366 -1.015 -2.328 1.00 43.04 O ATOM 1429 CB ARG A 94 8.915 1.425 -2.625 1.00 43.44 C ATOM 1430 CG ARG A 94 8.980 2.925 -2.833 1.00 63.04 C ATOM 1431 CD ARG A 94 10.199 3.294 -3.656 1.00 54.05 C ATOM 1432 NE ARG A 94 10.232 4.713 -4.010 1.00 74.33 N ATOM 1433 CZ ARG A 94 10.853 5.187 -5.090 1.00 35.01 C ATOM 1434 NH1 ARG A 94 11.478 4.350 -5.909 1.00 1.13 N ATOM 1435 NH2 ARG A 94 10.843 6.489 -5.358 1.00 52.21 N ATOM 0 H ARG A 94 6.958 1.893 -0.142 1.00 72.45 H new ATOM 0 HA ARG A 94 6.807 1.475 -2.293 1.00 14.23 H new ATOM 0 HB2 ARG A 94 9.800 1.106 -2.074 1.00 43.44 H new ATOM 0 HB3 ARG A 94 8.950 0.932 -3.597 1.00 43.44 H new ATOM 0 HG2 ARG A 94 8.076 3.268 -3.337 1.00 63.04 H new ATOM 0 HG3 ARG A 94 9.018 3.431 -1.868 1.00 63.04 H new ATOM 0 HD2 ARG A 94 11.100 3.042 -3.097 1.00 54.05 H new ATOM 0 HD3 ARG A 94 10.212 2.696 -4.567 1.00 54.05 H new ATOM 0 HE ARG A 94 9.755 5.375 -3.398 1.00 74.33 H new ATOM 0 HH11 ARG A 94 11.481 3.350 -5.710 1.00 1.13 H new ATOM 0 HH12 ARG A 94 11.955 4.707 -6.737 1.00 1.13 H new ATOM 0 HH21 ARG A 94 10.357 7.134 -4.735 1.00 52.21 H new ATOM 0 HH22 ARG A 94 11.321 6.843 -6.187 1.00 52.21 H new ATOM 1449 N SER A 95 8.548 -1.301 -1.917 1.00 41.41 N ATOM 1450 CA SER A 95 8.506 -2.740 -2.064 1.00 25.24 C ATOM 1451 C SER A 95 9.351 -3.404 -0.981 1.00 65.24 C ATOM 1452 O SER A 95 10.468 -2.967 -0.694 1.00 71.31 O ATOM 1453 CB SER A 95 8.997 -3.135 -3.461 1.00 45.21 C ATOM 1454 OG SER A 95 10.183 -2.435 -3.805 1.00 54.12 O ATOM 0 H SER A 95 9.471 -0.931 -1.691 1.00 41.41 H new ATOM 0 HA SER A 95 7.478 -3.083 -1.950 1.00 25.24 H new ATOM 0 HB2 SER A 95 9.183 -4.209 -3.494 1.00 45.21 H new ATOM 0 HB3 SER A 95 8.220 -2.923 -4.196 1.00 45.21 H new ATOM 0 HG SER A 95 10.475 -2.707 -4.700 1.00 54.12 H new ATOM 1460 N ASP A 96 8.804 -4.443 -0.366 1.00 75.51 N ATOM 1461 CA ASP A 96 9.511 -5.173 0.680 1.00 71.52 C ATOM 1462 C ASP A 96 10.034 -6.494 0.117 1.00 61.50 C ATOM 1463 O ASP A 96 10.578 -7.333 0.836 1.00 42.10 O ATOM 1464 CB ASP A 96 8.580 -5.412 1.878 1.00 21.34 C ATOM 1465 CG ASP A 96 9.320 -5.805 3.145 1.00 23.23 C ATOM 1466 OD1 ASP A 96 9.978 -4.930 3.750 1.00 53.14 O ATOM 1467 OD2 ASP A 96 9.218 -6.977 3.560 1.00 1.45 O ATOM 0 H ASP A 96 7.871 -4.801 -0.573 1.00 75.51 H new ATOM 0 HA ASP A 96 10.360 -4.584 1.027 1.00 71.52 H new ATOM 0 HB2 ASP A 96 8.004 -4.506 2.068 1.00 21.34 H new ATOM 0 HB3 ASP A 96 7.867 -6.196 1.624 1.00 21.34 H new ATOM 1472 N ASP A 97 9.867 -6.652 -1.194 1.00 11.11 N ATOM 1473 CA ASP A 97 10.328 -7.841 -1.898 1.00 71.14 C ATOM 1474 C ASP A 97 11.687 -7.571 -2.515 1.00 10.41 C ATOM 1475 O ASP A 97 12.661 -8.245 -2.123 1.00 0.00 O ATOM 1476 CB ASP A 97 9.346 -8.258 -3.001 1.00 50.34 C ATOM 1477 CG ASP A 97 7.954 -8.545 -2.477 1.00 53.13 C ATOM 1478 OD1 ASP A 97 7.767 -9.564 -1.776 1.00 62.23 O ATOM 1479 OD2 ASP A 97 7.032 -7.750 -2.764 1.00 24.35 O ATOM 1480 OXT ASP A 97 11.779 -6.666 -3.375 1.00 0.00 O ATOM 0 H ASP A 97 9.411 -5.963 -1.793 1.00 11.11 H new ATOM 0 HA ASP A 97 10.396 -8.654 -1.175 1.00 71.14 H new ATOM 0 HB2 ASP A 97 9.291 -7.467 -3.749 1.00 50.34 H new ATOM 0 HB3 ASP A 97 9.729 -9.146 -3.504 1.00 50.34 H new TER 1485 ASP A 97