USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=14 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0421 (180deg=-0.104) 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 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.044) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) 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= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.048) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 30 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.77) USER MOD Single : A 36 SER OG : rot 72:sc= 0.498 USER MOD Single : A 49 HIS : no HD1:sc= 0.565 K(o=0.99,f=-8!) USER MOD Single : A 54 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.3) USER MOD Single : A 55 ASN : amide:sc= -0.753 K(o=-0.75,f=-5.1!) USER MOD Single : A 56 MET CE :methyl 138:sc= -0.274 (180deg=-2.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.21) USER MOD Single : A 85 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 91 HIS : no HE2:sc= 1.12 K(o=1.1,f=-6.1!) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0052 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.321 22.183 40.228 1.00 0.00 N ATOM 2 CA MET A 1 43.894 22.012 39.873 1.00 52.33 C ATOM 3 C MET A 1 43.647 22.483 38.446 1.00 32.21 C ATOM 4 O MET A 1 44.403 23.299 37.911 1.00 33.13 O ATOM 5 CB MET A 1 43.002 22.806 40.832 1.00 25.42 C ATOM 6 CG MET A 1 43.054 22.330 42.274 1.00 12.11 C ATOM 7 SD MET A 1 42.412 20.659 42.481 1.00 33.13 S ATOM 8 CE MET A 1 42.595 20.457 44.250 1.00 52.44 C ATOM 0 H1 MET A 1 45.714 21.271 40.536 1.00 0.00 H new ATOM 0 H2 MET A 1 45.847 22.524 39.398 1.00 0.00 H new ATOM 0 H3 MET A 1 45.406 22.875 41.000 1.00 0.00 H new ATOM 0 HA MET A 1 43.648 20.953 39.953 1.00 52.33 H new ATOM 0 HB2 MET A 1 43.295 23.855 40.797 1.00 25.42 H new ATOM 0 HB3 MET A 1 41.972 22.751 40.481 1.00 25.42 H new ATOM 0 HG2 MET A 1 44.085 22.365 42.626 1.00 12.11 H new ATOM 0 HG3 MET A 1 42.481 23.015 42.899 1.00 12.11 H new ATOM 0 HE1 MET A 1 42.241 19.468 44.542 1.00 52.44 H new ATOM 0 HE2 MET A 1 43.646 20.560 44.521 1.00 52.44 H new ATOM 0 HE3 MET A 1 42.010 21.219 44.766 1.00 52.44 H new ATOM 20 N GLY A 2 42.592 21.970 37.836 1.00 12.21 N ATOM 21 CA GLY A 2 42.236 22.380 36.493 1.00 63.33 C ATOM 22 C GLY A 2 42.540 21.311 35.467 1.00 32.23 C ATOM 23 O GLY A 2 43.280 21.550 34.512 1.00 54.11 O ATOM 0 H GLY A 2 41.972 21.273 38.248 1.00 12.21 H new ATOM 0 HA2 GLY A 2 41.174 22.622 36.459 1.00 63.33 H new ATOM 0 HA3 GLY A 2 42.778 23.290 36.238 1.00 63.33 H new ATOM 27 N SER A 3 41.973 20.131 35.664 1.00 55.11 N ATOM 28 CA SER A 3 42.174 19.027 34.741 1.00 52.01 C ATOM 29 C SER A 3 40.854 18.620 34.091 1.00 71.23 C ATOM 30 O SER A 3 40.218 17.644 34.499 1.00 60.01 O ATOM 31 CB SER A 3 42.792 17.833 35.469 1.00 43.40 C ATOM 32 OG SER A 3 43.979 18.209 36.152 1.00 33.51 O ATOM 0 H SER A 3 41.369 19.914 36.457 1.00 55.11 H new ATOM 0 HA SER A 3 42.858 19.356 33.958 1.00 52.01 H new ATOM 0 HB2 SER A 3 42.073 17.425 36.180 1.00 43.40 H new ATOM 0 HB3 SER A 3 43.016 17.042 34.753 1.00 43.40 H new ATOM 0 HG SER A 3 44.354 17.428 36.611 1.00 33.51 H new ATOM 38 N SER A 4 40.431 19.390 33.102 1.00 62.52 N ATOM 39 CA SER A 4 39.196 19.117 32.388 1.00 35.35 C ATOM 40 C SER A 4 39.450 19.065 30.886 1.00 41.30 C ATOM 41 O SER A 4 40.289 19.799 30.363 1.00 35.33 O ATOM 42 CB SER A 4 38.158 20.191 32.713 1.00 73.01 C ATOM 43 OG SER A 4 37.811 20.168 34.091 1.00 22.23 O ATOM 0 H SER A 4 40.931 20.216 32.774 1.00 62.52 H new ATOM 0 HA SER A 4 38.813 18.147 32.706 1.00 35.35 H new ATOM 0 HB2 SER A 4 38.552 21.173 32.451 1.00 73.01 H new ATOM 0 HB3 SER A 4 37.265 20.033 32.108 1.00 73.01 H new ATOM 0 HG SER A 4 37.147 20.866 34.273 1.00 22.23 H new ATOM 49 N HIS A 5 38.738 18.190 30.197 1.00 24.24 N ATOM 50 CA HIS A 5 38.878 18.068 28.757 1.00 50.54 C ATOM 51 C HIS A 5 37.494 17.993 28.124 1.00 11.44 C ATOM 52 O HIS A 5 36.837 16.954 28.158 1.00 54.51 O ATOM 53 CB HIS A 5 39.712 16.832 28.409 1.00 30.43 C ATOM 54 CG HIS A 5 40.346 16.893 27.056 1.00 11.04 C ATOM 55 ND1 HIS A 5 40.099 15.970 26.067 1.00 61.43 N ATOM 56 CD2 HIS A 5 41.242 17.766 26.538 1.00 23.22 C ATOM 57 CE1 HIS A 5 40.813 16.269 25.000 1.00 62.15 C ATOM 58 NE2 HIS A 5 41.517 17.356 25.257 1.00 44.11 N ATOM 0 H HIS A 5 38.057 17.554 30.612 1.00 24.24 H new ATOM 0 HA HIS A 5 39.398 18.941 28.362 1.00 50.54 H new ATOM 0 HB2 HIS A 5 40.492 16.708 29.160 1.00 30.43 H new ATOM 0 HB3 HIS A 5 39.075 15.949 28.462 1.00 30.43 H new ATOM 0 HD2 HIS A 5 41.662 18.625 27.039 1.00 23.22 H new ATOM 0 HE1 HIS A 5 40.821 15.717 24.072 1.00 62.15 H new ATOM 0 HE2 HIS A 5 42.159 17.815 24.611 1.00 44.11 H new ATOM 67 N HIS A 6 37.052 19.111 27.567 1.00 71.25 N ATOM 68 CA HIS A 6 35.693 19.233 27.062 1.00 62.31 C ATOM 69 C HIS A 6 35.672 19.909 25.700 1.00 42.33 C ATOM 70 O HIS A 6 36.201 21.009 25.533 1.00 61.54 O ATOM 71 CB HIS A 6 34.828 20.027 28.062 1.00 40.31 C ATOM 72 CG HIS A 6 33.502 20.483 27.517 1.00 50.04 C ATOM 73 ND1 HIS A 6 32.406 19.658 27.406 1.00 75.44 N ATOM 74 CD2 HIS A 6 33.106 21.691 27.046 1.00 72.52 C ATOM 75 CE1 HIS A 6 31.399 20.335 26.888 1.00 53.50 C ATOM 76 NE2 HIS A 6 31.796 21.570 26.661 1.00 11.53 N ATOM 0 H HIS A 6 37.619 19.951 27.453 1.00 71.25 H new ATOM 0 HA HIS A 6 35.281 18.230 26.948 1.00 62.31 H new ATOM 0 HB2 HIS A 6 34.651 19.408 28.941 1.00 40.31 H new ATOM 0 HB3 HIS A 6 35.389 20.900 28.395 1.00 40.31 H new ATOM 0 HD2 HIS A 6 33.711 22.584 26.985 1.00 72.52 H new ATOM 0 HE1 HIS A 6 30.414 19.942 26.684 1.00 53.50 H new ATOM 0 HE2 HIS A 6 31.223 22.314 26.264 1.00 11.53 H new ATOM 85 N HIS A 7 35.050 19.252 24.731 1.00 42.12 N ATOM 86 CA HIS A 7 34.843 19.849 23.421 1.00 23.24 C ATOM 87 C HIS A 7 33.568 19.290 22.790 1.00 64.32 C ATOM 88 O HIS A 7 33.329 18.084 22.817 1.00 70.13 O ATOM 89 CB HIS A 7 36.068 19.630 22.510 1.00 23.10 C ATOM 90 CG HIS A 7 36.060 18.359 21.711 1.00 32.40 C ATOM 91 ND1 HIS A 7 35.713 18.324 20.380 1.00 62.10 N ATOM 92 CD2 HIS A 7 36.369 17.084 22.052 1.00 54.53 C ATOM 93 CE1 HIS A 7 35.804 17.085 19.935 1.00 21.25 C ATOM 94 NE2 HIS A 7 36.203 16.312 20.927 1.00 61.41 N ATOM 0 H HIS A 7 34.681 18.306 24.828 1.00 42.12 H new ATOM 0 HA HIS A 7 34.723 20.926 23.542 1.00 23.24 H new ATOM 0 HB2 HIS A 7 36.142 20.471 21.821 1.00 23.10 H new ATOM 0 HB3 HIS A 7 36.966 19.645 23.128 1.00 23.10 H new ATOM 0 HD2 HIS A 7 36.686 16.739 23.025 1.00 54.53 H new ATOM 0 HE1 HIS A 7 35.588 16.759 18.928 1.00 21.25 H new ATOM 0 HE2 HIS A 7 36.362 15.306 20.869 1.00 61.41 H new ATOM 103 N HIS A 8 32.740 20.175 22.258 1.00 11.21 N ATOM 104 CA HIS A 8 31.497 19.772 21.614 1.00 13.34 C ATOM 105 C HIS A 8 31.360 20.479 20.276 1.00 30.00 C ATOM 106 O HIS A 8 31.132 21.687 20.228 1.00 64.43 O ATOM 107 CB HIS A 8 30.296 20.095 22.513 1.00 54.21 C ATOM 108 CG HIS A 8 28.983 19.576 21.993 1.00 64.12 C ATOM 109 ND1 HIS A 8 28.462 18.357 22.364 1.00 2.33 N ATOM 110 CD2 HIS A 8 28.082 20.121 21.138 1.00 72.42 C ATOM 111 CE1 HIS A 8 27.303 18.171 21.760 1.00 42.54 C ATOM 112 NE2 HIS A 8 27.046 19.226 21.011 1.00 63.01 N ATOM 0 H HIS A 8 32.906 21.181 22.259 1.00 11.21 H new ATOM 0 HA HIS A 8 31.519 18.695 21.447 1.00 13.34 H new ATOM 0 HB2 HIS A 8 30.474 19.676 23.503 1.00 54.21 H new ATOM 0 HB3 HIS A 8 30.226 21.176 22.633 1.00 54.21 H new ATOM 0 HD2 HIS A 8 28.163 21.080 20.648 1.00 72.42 H new ATOM 0 HE1 HIS A 8 26.671 17.301 21.862 1.00 42.54 H new ATOM 0 HE2 HIS A 8 26.216 19.356 20.433 1.00 63.01 H new ATOM 121 N HIS A 9 31.506 19.726 19.197 1.00 32.23 N ATOM 122 CA HIS A 9 31.484 20.300 17.861 1.00 74.44 C ATOM 123 C HIS A 9 30.990 19.287 16.837 1.00 65.44 C ATOM 124 O HIS A 9 31.748 18.430 16.385 1.00 72.23 O ATOM 125 CB HIS A 9 32.887 20.798 17.481 1.00 12.13 C ATOM 126 CG HIS A 9 33.010 21.272 16.062 1.00 23.41 C ATOM 127 ND1 HIS A 9 33.757 20.609 15.115 1.00 64.20 N ATOM 128 CD2 HIS A 9 32.488 22.352 15.437 1.00 20.20 C ATOM 129 CE1 HIS A 9 33.687 21.258 13.970 1.00 60.31 C ATOM 130 NE2 HIS A 9 32.920 22.320 14.133 1.00 52.14 N ATOM 0 H HIS A 9 31.641 18.715 19.221 1.00 32.23 H new ATOM 0 HA HIS A 9 30.793 21.143 17.862 1.00 74.44 H new ATOM 0 HB2 HIS A 9 33.164 21.613 18.149 1.00 12.13 H new ATOM 0 HB3 HIS A 9 33.603 19.993 17.646 1.00 12.13 H new ATOM 0 HD2 HIS A 9 31.849 23.101 15.881 1.00 20.20 H new ATOM 0 HE1 HIS A 9 34.176 20.969 13.051 1.00 60.31 H new ATOM 0 HE2 HIS A 9 32.687 23.003 13.412 1.00 52.14 H new ATOM 139 N HIS A 10 29.715 19.376 16.487 1.00 5.51 N ATOM 140 CA HIS A 10 29.165 18.552 15.423 1.00 25.33 C ATOM 141 C HIS A 10 27.916 19.200 14.844 1.00 31.34 C ATOM 142 O HIS A 10 26.892 19.330 15.515 1.00 33.01 O ATOM 143 CB HIS A 10 28.845 17.135 15.917 1.00 52.03 C ATOM 144 CG HIS A 10 28.714 16.152 14.793 1.00 55.53 C ATOM 145 ND1 HIS A 10 27.505 15.690 14.323 1.00 21.03 N ATOM 146 CD2 HIS A 10 29.661 15.562 14.027 1.00 34.41 C ATOM 147 CE1 HIS A 10 27.715 14.862 13.318 1.00 21.13 C ATOM 148 NE2 HIS A 10 29.015 14.767 13.114 1.00 1.21 N ATOM 0 H HIS A 10 29.044 20.009 16.923 1.00 5.51 H new ATOM 0 HA HIS A 10 29.921 18.472 14.642 1.00 25.33 H new ATOM 0 HB2 HIS A 10 29.631 16.804 16.595 1.00 52.03 H new ATOM 0 HB3 HIS A 10 27.917 17.154 16.489 1.00 52.03 H new ATOM 0 HD2 HIS A 10 30.729 15.693 14.118 1.00 34.41 H new ATOM 0 HE1 HIS A 10 26.950 14.347 12.756 1.00 21.13 H new ATOM 0 HE2 HIS A 10 29.465 14.198 12.397 1.00 1.21 H new ATOM 157 N SER A 11 28.018 19.622 13.598 1.00 72.23 N ATOM 158 CA SER A 11 26.905 20.225 12.894 1.00 15.41 C ATOM 159 C SER A 11 26.802 19.632 11.494 1.00 44.20 C ATOM 160 O SER A 11 27.814 19.435 10.817 1.00 3.11 O ATOM 161 CB SER A 11 27.082 21.743 12.827 1.00 43.13 C ATOM 162 OG SER A 11 27.245 22.291 14.129 1.00 75.13 O ATOM 0 H SER A 11 28.874 19.556 13.047 1.00 72.23 H new ATOM 0 HA SER A 11 25.981 20.014 13.433 1.00 15.41 H new ATOM 0 HB2 SER A 11 27.950 21.986 12.214 1.00 43.13 H new ATOM 0 HB3 SER A 11 26.215 22.194 12.344 1.00 43.13 H new ATOM 0 HG SER A 11 27.358 23.262 14.063 1.00 75.13 H new ATOM 168 N SER A 12 25.585 19.337 11.078 1.00 3.34 N ATOM 169 CA SER A 12 25.349 18.689 9.799 1.00 52.43 C ATOM 170 C SER A 12 24.130 19.301 9.118 1.00 4.21 C ATOM 171 O SER A 12 23.376 20.048 9.745 1.00 12.21 O ATOM 172 CB SER A 12 25.126 17.187 10.011 1.00 71.44 C ATOM 173 OG SER A 12 26.120 16.630 10.859 1.00 73.21 O ATOM 0 H SER A 12 24.738 19.537 11.610 1.00 3.34 H new ATOM 0 HA SER A 12 26.221 18.836 9.162 1.00 52.43 H new ATOM 0 HB2 SER A 12 24.140 17.022 10.446 1.00 71.44 H new ATOM 0 HB3 SER A 12 25.139 16.676 9.048 1.00 71.44 H new ATOM 0 HG SER A 12 25.950 15.672 10.977 1.00 73.21 H new ATOM 179 N GLY A 13 23.943 19.004 7.838 1.00 65.03 N ATOM 180 CA GLY A 13 22.743 19.447 7.156 1.00 1.21 C ATOM 181 C GLY A 13 22.982 19.890 5.729 1.00 75.11 C ATOM 182 O GLY A 13 23.173 21.077 5.465 1.00 33.10 O ATOM 0 H GLY A 13 24.595 18.469 7.264 1.00 65.03 H new ATOM 0 HA2 GLY A 13 22.014 18.636 7.158 1.00 1.21 H new ATOM 0 HA3 GLY A 13 22.302 20.273 7.714 1.00 1.21 H new ATOM 186 N ARG A 14 22.971 18.939 4.806 1.00 52.04 N ATOM 187 CA ARG A 14 23.031 19.255 3.383 1.00 33.31 C ATOM 188 C ARG A 14 22.292 18.197 2.563 1.00 33.11 C ATOM 189 O ARG A 14 22.807 17.102 2.318 1.00 41.34 O ATOM 190 CB ARG A 14 24.484 19.412 2.894 1.00 35.21 C ATOM 191 CG ARG A 14 25.371 18.197 3.123 1.00 50.14 C ATOM 192 CD ARG A 14 26.692 18.339 2.385 1.00 32.41 C ATOM 193 NE ARG A 14 27.552 17.169 2.558 1.00 53.41 N ATOM 194 CZ ARG A 14 28.296 16.636 1.584 1.00 4.41 C ATOM 195 NH1 ARG A 14 28.274 17.158 0.361 1.00 61.22 N ATOM 196 NH2 ARG A 14 29.059 15.577 1.834 1.00 73.44 N ATOM 0 H ARG A 14 22.921 17.942 5.015 1.00 52.04 H new ATOM 0 HA ARG A 14 22.534 20.214 3.238 1.00 33.31 H new ATOM 0 HB2 ARG A 14 24.471 19.639 1.828 1.00 35.21 H new ATOM 0 HB3 ARG A 14 24.931 20.270 3.397 1.00 35.21 H new ATOM 0 HG2 ARG A 14 25.558 18.075 4.190 1.00 50.14 H new ATOM 0 HG3 ARG A 14 24.856 17.298 2.785 1.00 50.14 H new ATOM 0 HD2 ARG A 14 26.498 18.491 1.323 1.00 32.41 H new ATOM 0 HD3 ARG A 14 27.213 19.227 2.744 1.00 32.41 H new ATOM 0 HE ARG A 14 27.586 16.733 3.479 1.00 53.41 H new ATOM 0 HH11 ARG A 14 27.688 17.969 0.163 1.00 61.22 H new ATOM 0 HH12 ARG A 14 28.844 16.748 -0.379 1.00 61.22 H new ATOM 0 HH21 ARG A 14 29.077 15.171 2.769 1.00 73.44 H new ATOM 0 HH22 ARG A 14 29.627 15.170 1.090 1.00 73.44 H new ATOM 210 N GLU A 15 21.071 18.523 2.157 1.00 1.33 N ATOM 211 CA GLU A 15 20.269 17.620 1.346 1.00 61.31 C ATOM 212 C GLU A 15 19.080 18.365 0.743 1.00 5.10 C ATOM 213 O GLU A 15 18.524 19.270 1.374 1.00 51.14 O ATOM 214 CB GLU A 15 19.767 16.439 2.187 1.00 12.40 C ATOM 215 CG GLU A 15 19.924 15.089 1.500 1.00 3.05 C ATOM 216 CD GLU A 15 19.352 15.074 0.097 1.00 73.14 C ATOM 217 OE1 GLU A 15 18.131 14.876 -0.051 1.00 31.31 O ATOM 218 OE2 GLU A 15 20.124 15.281 -0.863 1.00 43.42 O ATOM 0 H GLU A 15 20.615 19.408 2.378 1.00 1.33 H new ATOM 0 HA GLU A 15 20.897 17.237 0.541 1.00 61.31 H new ATOM 0 HB2 GLU A 15 20.309 16.421 3.132 1.00 12.40 H new ATOM 0 HB3 GLU A 15 18.715 16.595 2.426 1.00 12.40 H new ATOM 0 HG2 GLU A 15 20.982 14.828 1.459 1.00 3.05 H new ATOM 0 HG3 GLU A 15 19.430 14.323 2.097 1.00 3.05 H new ATOM 225 N ASN A 16 18.709 17.984 -0.480 1.00 4.52 N ATOM 226 CA ASN A 16 17.558 18.571 -1.176 1.00 1.40 C ATOM 227 C ASN A 16 17.372 17.931 -2.549 1.00 64.04 C ATOM 228 O ASN A 16 16.687 18.483 -3.415 1.00 1.42 O ATOM 229 CB ASN A 16 17.728 20.089 -1.348 1.00 14.22 C ATOM 230 CG ASN A 16 18.934 20.460 -2.196 1.00 34.35 C ATOM 231 OD1 ASN A 16 20.039 20.619 -1.683 1.00 11.40 O ATOM 232 ND2 ASN A 16 18.727 20.612 -3.495 1.00 1.51 N ATOM 0 H ASN A 16 19.194 17.264 -1.016 1.00 4.52 H new ATOM 0 HA ASN A 16 16.677 18.379 -0.564 1.00 1.40 H new ATOM 0 HB2 ASN A 16 16.828 20.500 -1.806 1.00 14.22 H new ATOM 0 HB3 ASN A 16 17.825 20.552 -0.366 1.00 14.22 H new ATOM 0 HD21 ASN A 16 19.500 20.870 -4.108 1.00 1.51 H new ATOM 0 HD22 ASN A 16 17.794 20.471 -3.883 1.00 1.51 H new ATOM 239 N LEU A 17 17.954 16.756 -2.744 1.00 12.23 N ATOM 240 CA LEU A 17 18.000 16.150 -4.069 1.00 42.14 C ATOM 241 C LEU A 17 16.957 15.052 -4.233 1.00 53.05 C ATOM 242 O LEU A 17 16.492 14.469 -3.250 1.00 74.22 O ATOM 243 CB LEU A 17 19.391 15.572 -4.338 1.00 34.43 C ATOM 244 CG LEU A 17 20.540 16.586 -4.311 1.00 74.00 C ATOM 245 CD1 LEU A 17 21.873 15.886 -4.539 1.00 24.44 C ATOM 246 CD2 LEU A 17 20.327 17.671 -5.357 1.00 30.22 C ATOM 0 H LEU A 17 18.398 16.206 -2.008 1.00 12.23 H new ATOM 0 HA LEU A 17 17.778 16.937 -4.790 1.00 42.14 H new ATOM 0 HB2 LEU A 17 19.594 14.798 -3.597 1.00 34.43 H new ATOM 0 HB3 LEU A 17 19.381 15.085 -5.313 1.00 34.43 H new ATOM 0 HG LEU A 17 20.556 17.056 -3.328 1.00 74.00 H new ATOM 0 HD11 LEU A 17 22.678 16.620 -4.517 1.00 24.44 H new ATOM 0 HD12 LEU A 17 22.035 15.147 -3.755 1.00 24.44 H new ATOM 0 HD13 LEU A 17 21.862 15.389 -5.509 1.00 24.44 H new ATOM 0 HD21 LEU A 17 21.154 18.380 -5.320 1.00 30.22 H new ATOM 0 HD22 LEU A 17 20.282 17.218 -6.347 1.00 30.22 H new ATOM 0 HD23 LEU A 17 19.392 18.194 -5.154 1.00 30.22 H new ATOM 258 N TYR A 18 16.595 14.800 -5.491 1.00 15.33 N ATOM 259 CA TYR A 18 15.740 13.671 -5.873 1.00 14.33 C ATOM 260 C TYR A 18 14.280 13.872 -5.456 1.00 42.55 C ATOM 261 O TYR A 18 13.909 14.929 -4.933 1.00 71.01 O ATOM 262 CB TYR A 18 16.285 12.367 -5.278 1.00 25.12 C ATOM 263 CG TYR A 18 16.400 11.235 -6.278 1.00 15.41 C ATOM 264 CD1 TYR A 18 17.365 11.268 -7.276 1.00 30.21 C ATOM 265 CD2 TYR A 18 15.565 10.127 -6.208 1.00 32.40 C ATOM 266 CE1 TYR A 18 17.486 10.236 -8.186 1.00 61.44 C ATOM 267 CE2 TYR A 18 15.677 9.090 -7.116 1.00 71.23 C ATOM 268 CZ TYR A 18 16.644 9.146 -8.096 1.00 41.32 C ATOM 269 OH TYR A 18 16.767 8.110 -8.994 1.00 74.04 O ATOM 0 H TYR A 18 16.888 15.376 -6.280 1.00 15.33 H new ATOM 0 HA TYR A 18 15.758 13.611 -6.961 1.00 14.33 H new ATOM 0 HB2 TYR A 18 17.268 12.559 -4.847 1.00 25.12 H new ATOM 0 HB3 TYR A 18 15.635 12.052 -4.462 1.00 25.12 H new ATOM 0 HD1 TYR A 18 18.032 12.115 -7.342 1.00 30.21 H new ATOM 0 HD2 TYR A 18 14.816 10.075 -5.432 1.00 32.40 H new ATOM 0 HE1 TYR A 18 18.235 10.282 -8.963 1.00 61.44 H new ATOM 0 HE2 TYR A 18 15.011 8.242 -7.057 1.00 71.23 H new ATOM 0 HH TYR A 18 16.100 7.421 -8.792 1.00 74.04 H new ATOM 279 N PHE A 19 13.464 12.846 -5.736 1.00 52.34 N ATOM 280 CA PHE A 19 12.049 12.787 -5.348 1.00 55.42 C ATOM 281 C PHE A 19 11.167 13.619 -6.279 1.00 61.35 C ATOM 282 O PHE A 19 10.553 14.602 -5.864 1.00 32.25 O ATOM 283 CB PHE A 19 11.837 13.200 -3.885 1.00 13.51 C ATOM 284 CG PHE A 19 12.399 12.214 -2.898 1.00 5.43 C ATOM 285 CD1 PHE A 19 11.696 11.067 -2.578 1.00 13.50 C ATOM 286 CD2 PHE A 19 13.622 12.439 -2.288 1.00 24.13 C ATOM 287 CE1 PHE A 19 12.202 10.158 -1.668 1.00 72.41 C ATOM 288 CE2 PHE A 19 14.134 11.535 -1.379 1.00 4.31 C ATOM 289 CZ PHE A 19 13.424 10.394 -1.067 1.00 73.10 C ATOM 0 H PHE A 19 13.775 12.020 -6.247 1.00 52.34 H new ATOM 0 HA PHE A 19 11.745 11.745 -5.446 1.00 55.42 H new ATOM 0 HB2 PHE A 19 12.300 14.173 -3.719 1.00 13.51 H new ATOM 0 HB3 PHE A 19 10.769 13.319 -3.700 1.00 13.51 H new ATOM 0 HD1 PHE A 19 10.740 10.879 -3.045 1.00 13.50 H new ATOM 0 HD2 PHE A 19 14.181 13.332 -2.526 1.00 24.13 H new ATOM 0 HE1 PHE A 19 11.644 9.265 -1.427 1.00 72.41 H new ATOM 0 HE2 PHE A 19 15.090 11.721 -0.912 1.00 4.31 H new ATOM 0 HZ PHE A 19 13.822 9.687 -0.355 1.00 73.10 H new ATOM 299 N GLN A 20 11.134 13.227 -7.549 1.00 22.34 N ATOM 300 CA GLN A 20 10.223 13.819 -8.527 1.00 31.13 C ATOM 301 C GLN A 20 9.686 12.737 -9.458 1.00 53.44 C ATOM 302 O GLN A 20 10.387 11.768 -9.757 1.00 61.33 O ATOM 303 CB GLN A 20 10.922 14.904 -9.353 1.00 50.22 C ATOM 304 CG GLN A 20 11.331 16.129 -8.555 1.00 1.42 C ATOM 305 CD GLN A 20 11.887 17.227 -9.437 1.00 10.22 C ATOM 306 OE1 GLN A 20 12.735 18.016 -9.013 1.00 71.34 O ATOM 307 NE2 GLN A 20 11.405 17.293 -10.670 1.00 51.32 N ATOM 0 H GLN A 20 11.734 12.495 -7.929 1.00 22.34 H new ATOM 0 HA GLN A 20 9.399 14.280 -7.982 1.00 31.13 H new ATOM 0 HB2 GLN A 20 11.809 14.475 -9.818 1.00 50.22 H new ATOM 0 HB3 GLN A 20 10.258 15.215 -10.159 1.00 50.22 H new ATOM 0 HG2 GLN A 20 10.469 16.508 -8.006 1.00 1.42 H new ATOM 0 HG3 GLN A 20 12.080 15.845 -7.815 1.00 1.42 H new ATOM 0 HE21 GLN A 20 10.704 16.620 -10.980 1.00 51.32 H new ATOM 0 HE22 GLN A 20 11.735 18.017 -11.309 1.00 51.32 H new ATOM 316 N GLY A 21 8.450 12.895 -9.912 1.00 44.43 N ATOM 317 CA GLY A 21 7.859 11.908 -10.793 1.00 65.15 C ATOM 318 C GLY A 21 6.365 12.083 -10.949 1.00 43.44 C ATOM 319 O GLY A 21 5.876 13.205 -11.078 1.00 20.23 O ATOM 0 H GLY A 21 7.848 13.687 -9.687 1.00 44.43 H new ATOM 0 HA2 GLY A 21 8.332 11.972 -11.773 1.00 65.15 H new ATOM 0 HA3 GLY A 21 8.065 10.911 -10.404 1.00 65.15 H new ATOM 323 N HIS A 22 5.639 10.972 -10.950 1.00 54.41 N ATOM 324 CA HIS A 22 4.185 11.001 -11.057 1.00 50.44 C ATOM 325 C HIS A 22 3.570 10.287 -9.864 1.00 14.51 C ATOM 326 O HIS A 22 3.105 9.150 -9.987 1.00 14.34 O ATOM 327 CB HIS A 22 3.717 10.342 -12.359 1.00 40.43 C ATOM 328 CG HIS A 22 4.012 11.142 -13.587 1.00 72.14 C ATOM 329 ND1 HIS A 22 3.045 11.825 -14.284 1.00 24.34 N ATOM 330 CD2 HIS A 22 5.174 11.362 -14.246 1.00 31.34 C ATOM 331 CE1 HIS A 22 3.593 12.435 -15.316 1.00 31.35 C ATOM 332 NE2 HIS A 22 4.888 12.171 -15.316 1.00 11.34 N ATOM 0 H HIS A 22 6.035 10.035 -10.878 1.00 54.41 H new ATOM 0 HA HIS A 22 3.860 12.041 -11.067 1.00 50.44 H new ATOM 0 HB2 HIS A 22 4.193 9.366 -12.451 1.00 40.43 H new ATOM 0 HB3 HIS A 22 2.642 10.169 -12.300 1.00 40.43 H new ATOM 0 HD2 HIS A 22 6.145 10.973 -13.979 1.00 31.34 H new ATOM 0 HE1 HIS A 22 3.073 13.046 -16.038 1.00 31.35 H new ATOM 0 HE2 HIS A 22 5.564 12.513 -15.999 1.00 11.34 H new ATOM 341 N LEU A 23 3.589 10.961 -8.712 1.00 33.35 N ATOM 342 CA LEU A 23 3.212 10.356 -7.430 1.00 61.24 C ATOM 343 C LEU A 23 4.168 9.219 -7.073 1.00 64.43 C ATOM 344 O LEU A 23 4.905 8.713 -7.923 1.00 22.43 O ATOM 345 CB LEU A 23 1.764 9.846 -7.450 1.00 72.22 C ATOM 346 CG LEU A 23 0.692 10.918 -7.662 1.00 25.42 C ATOM 347 CD1 LEU A 23 -0.693 10.291 -7.679 1.00 72.23 C ATOM 348 CD2 LEU A 23 0.777 11.986 -6.580 1.00 0.50 C ATOM 0 H LEU A 23 3.866 11.940 -8.640 1.00 33.35 H new ATOM 0 HA LEU A 23 3.283 11.131 -6.667 1.00 61.24 H new ATOM 0 HB2 LEU A 23 1.670 9.101 -8.240 1.00 72.22 H new ATOM 0 HB3 LEU A 23 1.563 9.337 -6.507 1.00 72.22 H new ATOM 0 HG LEU A 23 0.870 11.392 -8.627 1.00 25.42 H new ATOM 0 HD11 LEU A 23 -1.442 11.068 -7.831 1.00 72.23 H new ATOM 0 HD12 LEU A 23 -0.754 9.565 -8.490 1.00 72.23 H new ATOM 0 HD13 LEU A 23 -0.877 9.790 -6.729 1.00 72.23 H new ATOM 0 HD21 LEU A 23 0.006 12.738 -6.750 1.00 0.50 H new ATOM 0 HD22 LEU A 23 0.627 11.527 -5.603 1.00 0.50 H new ATOM 0 HD23 LEU A 23 1.759 12.459 -6.612 1.00 0.50 H new ATOM 360 N ARG A 24 4.173 8.818 -5.814 1.00 62.01 N ATOM 361 CA ARG A 24 5.063 7.754 -5.375 1.00 24.44 C ATOM 362 C ARG A 24 4.313 6.731 -4.538 1.00 5.14 C ATOM 363 O ARG A 24 3.614 7.086 -3.584 1.00 25.50 O ATOM 364 CB ARG A 24 6.238 8.323 -4.572 1.00 4.33 C ATOM 365 CG ARG A 24 7.155 9.234 -5.378 1.00 44.11 C ATOM 366 CD ARG A 24 7.966 8.464 -6.408 1.00 51.12 C ATOM 367 NE ARG A 24 8.963 7.591 -5.783 1.00 12.44 N ATOM 368 CZ ARG A 24 9.743 6.746 -6.463 1.00 21.15 C ATOM 369 NH1 ARG A 24 9.640 6.657 -7.783 1.00 43.22 N ATOM 370 NH2 ARG A 24 10.630 5.993 -5.826 1.00 44.21 N ATOM 0 H ARG A 24 3.578 9.207 -5.083 1.00 62.01 H new ATOM 0 HA ARG A 24 5.453 7.260 -6.265 1.00 24.44 H new ATOM 0 HB2 ARG A 24 5.847 8.879 -3.720 1.00 4.33 H new ATOM 0 HB3 ARG A 24 6.825 7.497 -4.171 1.00 4.33 H new ATOM 0 HG2 ARG A 24 6.558 9.994 -5.882 1.00 44.11 H new ATOM 0 HG3 ARG A 24 7.832 9.757 -4.702 1.00 44.11 H new ATOM 0 HD2 ARG A 24 7.295 7.865 -7.023 1.00 51.12 H new ATOM 0 HD3 ARG A 24 8.467 9.167 -7.074 1.00 51.12 H new ATOM 0 HE ARG A 24 9.068 7.631 -4.769 1.00 12.44 H new ATOM 0 HH11 ARG A 24 8.964 7.235 -8.282 1.00 43.22 H new ATOM 0 HH12 ARG A 24 10.237 6.011 -8.299 1.00 43.22 H new ATOM 0 HH21 ARG A 24 10.719 6.057 -4.812 1.00 44.21 H new ATOM 0 HH22 ARG A 24 11.223 5.350 -6.350 1.00 44.21 H new ATOM 384 N GLU A 25 4.442 5.471 -4.925 1.00 23.13 N ATOM 385 CA GLU A 25 3.886 4.368 -4.163 1.00 64.43 C ATOM 386 C GLU A 25 4.683 4.202 -2.874 1.00 64.31 C ATOM 387 O GLU A 25 5.895 3.997 -2.911 1.00 43.23 O ATOM 388 CB GLU A 25 3.927 3.078 -4.993 1.00 23.34 C ATOM 389 CG GLU A 25 3.154 1.930 -4.372 1.00 74.34 C ATOM 390 CD GLU A 25 3.205 0.674 -5.216 1.00 40.30 C ATOM 391 OE1 GLU A 25 2.948 0.756 -6.439 1.00 2.21 O ATOM 392 OE2 GLU A 25 3.494 -0.403 -4.663 1.00 51.22 O ATOM 0 H GLU A 25 4.933 5.187 -5.773 1.00 23.13 H new ATOM 0 HA GLU A 25 2.845 4.580 -3.917 1.00 64.43 H new ATOM 0 HB2 GLU A 25 3.524 3.282 -5.985 1.00 23.34 H new ATOM 0 HB3 GLU A 25 4.965 2.775 -5.127 1.00 23.34 H new ATOM 0 HG2 GLU A 25 3.559 1.716 -3.383 1.00 74.34 H new ATOM 0 HG3 GLU A 25 2.115 2.229 -4.233 1.00 74.34 H new ATOM 399 N LEU A 26 4.007 4.314 -1.741 1.00 41.54 N ATOM 400 CA LEU A 26 4.678 4.284 -0.449 1.00 41.15 C ATOM 401 C LEU A 26 4.994 2.845 -0.056 1.00 34.12 C ATOM 402 O LEU A 26 6.136 2.514 0.269 1.00 45.52 O ATOM 403 CB LEU A 26 3.797 4.959 0.612 1.00 24.41 C ATOM 404 CG LEU A 26 4.534 5.586 1.809 1.00 74.53 C ATOM 405 CD1 LEU A 26 5.229 4.526 2.657 1.00 42.20 C ATOM 406 CD2 LEU A 26 5.542 6.623 1.328 1.00 61.41 C ATOM 0 H LEU A 26 2.995 4.426 -1.689 1.00 41.54 H new ATOM 0 HA LEU A 26 5.617 4.833 -0.519 1.00 41.15 H new ATOM 0 HB2 LEU A 26 3.210 5.738 0.125 1.00 24.41 H new ATOM 0 HB3 LEU A 26 3.092 4.220 0.993 1.00 24.41 H new ATOM 0 HG LEU A 26 3.790 6.078 2.435 1.00 74.53 H new ATOM 0 HD11 LEU A 26 5.739 5.005 3.493 1.00 42.20 H new ATOM 0 HD12 LEU A 26 4.489 3.823 3.039 1.00 42.20 H new ATOM 0 HD13 LEU A 26 5.957 3.991 2.047 1.00 42.20 H new ATOM 0 HD21 LEU A 26 6.055 7.057 2.186 1.00 61.41 H new ATOM 0 HD22 LEU A 26 6.271 6.146 0.673 1.00 61.41 H new ATOM 0 HD23 LEU A 26 5.022 7.409 0.780 1.00 61.41 H new ATOM 418 N LEU A 27 3.982 1.992 -0.099 1.00 51.30 N ATOM 419 CA LEU A 27 4.155 0.596 0.267 1.00 54.13 C ATOM 420 C LEU A 27 3.072 -0.265 -0.368 1.00 51.13 C ATOM 421 O LEU A 27 1.978 0.218 -0.675 1.00 74.43 O ATOM 422 CB LEU A 27 4.140 0.409 1.794 1.00 52.34 C ATOM 423 CG LEU A 27 2.779 0.559 2.488 1.00 32.02 C ATOM 424 CD1 LEU A 27 2.861 0.050 3.919 1.00 23.04 C ATOM 425 CD2 LEU A 27 2.315 2.009 2.480 1.00 3.30 C ATOM 0 H LEU A 27 3.035 2.242 -0.383 1.00 51.30 H new ATOM 0 HA LEU A 27 5.128 0.279 -0.108 1.00 54.13 H new ATOM 0 HB2 LEU A 27 4.531 -0.583 2.020 1.00 52.34 H new ATOM 0 HB3 LEU A 27 4.829 1.131 2.233 1.00 52.34 H new ATOM 0 HG LEU A 27 2.052 -0.036 1.935 1.00 32.02 H new ATOM 0 HD11 LEU A 27 1.890 0.162 4.401 1.00 23.04 H new ATOM 0 HD12 LEU A 27 3.146 -1.002 3.915 1.00 23.04 H new ATOM 0 HD13 LEU A 27 3.607 0.625 4.468 1.00 23.04 H new ATOM 0 HD21 LEU A 27 1.348 2.084 2.978 1.00 3.30 H new ATOM 0 HD22 LEU A 27 3.043 2.627 3.005 1.00 3.30 H new ATOM 0 HD23 LEU A 27 2.221 2.355 1.451 1.00 3.30 H new ATOM 437 N ARG A 28 3.389 -1.536 -0.559 1.00 74.24 N ATOM 438 CA ARG A 28 2.456 -2.500 -1.122 1.00 33.50 C ATOM 439 C ARG A 28 2.456 -3.749 -0.247 1.00 3.23 C ATOM 440 O ARG A 28 3.455 -4.464 -0.184 1.00 41.42 O ATOM 441 CB ARG A 28 2.869 -2.849 -2.559 1.00 73.44 C ATOM 442 CG ARG A 28 1.824 -3.642 -3.332 1.00 51.34 C ATOM 443 CD ARG A 28 2.320 -4.014 -4.725 1.00 43.24 C ATOM 444 NE ARG A 28 2.758 -2.843 -5.490 1.00 0.25 N ATOM 445 CZ ARG A 28 2.928 -2.827 -6.814 1.00 34.44 C ATOM 446 NH1 ARG A 28 2.658 -3.898 -7.542 1.00 5.53 N ATOM 447 NH2 ARG A 28 3.344 -1.723 -7.412 1.00 43.42 N ATOM 0 H ARG A 28 4.301 -1.929 -0.328 1.00 74.24 H new ATOM 0 HA ARG A 28 1.452 -2.077 -1.149 1.00 33.50 H new ATOM 0 HB2 ARG A 28 3.081 -1.926 -3.099 1.00 73.44 H new ATOM 0 HB3 ARG A 28 3.796 -3.422 -2.530 1.00 73.44 H new ATOM 0 HG2 ARG A 28 1.572 -4.548 -2.781 1.00 51.34 H new ATOM 0 HG3 ARG A 28 0.909 -3.055 -3.415 1.00 51.34 H new ATOM 0 HD2 ARG A 28 3.147 -4.718 -4.638 1.00 43.24 H new ATOM 0 HD3 ARG A 28 1.524 -4.523 -5.268 1.00 43.24 H new ATOM 0 HE ARG A 28 2.946 -1.982 -4.976 1.00 0.25 H new ATOM 0 HH11 ARG A 28 2.316 -4.747 -7.092 1.00 5.53 H new ATOM 0 HH12 ARG A 28 2.792 -3.874 -8.553 1.00 5.53 H new ATOM 0 HH21 ARG A 28 3.534 -0.886 -6.862 1.00 43.42 H new ATOM 0 HH22 ARG A 28 3.474 -1.709 -8.424 1.00 43.42 H new ATOM 461 N THR A 29 1.355 -3.998 0.449 1.00 51.41 N ATOM 462 CA THR A 29 1.308 -5.089 1.411 1.00 43.42 C ATOM 463 C THR A 29 0.124 -6.016 1.149 1.00 43.03 C ATOM 464 O THR A 29 -0.805 -5.672 0.414 1.00 72.34 O ATOM 465 CB THR A 29 1.240 -4.557 2.861 1.00 61.41 C ATOM 466 OG1 THR A 29 1.313 -5.639 3.800 1.00 61.22 O ATOM 467 CG2 THR A 29 -0.039 -3.770 3.098 1.00 65.24 C ATOM 0 H THR A 29 0.490 -3.464 0.366 1.00 51.41 H new ATOM 0 HA THR A 29 2.229 -5.658 1.288 1.00 43.42 H new ATOM 0 HB THR A 29 2.093 -3.894 3.007 1.00 61.41 H new ATOM 0 HG1 THR A 29 1.270 -5.284 4.712 1.00 61.22 H new ATOM 0 HG21 THR A 29 -0.059 -3.409 4.126 1.00 65.24 H new ATOM 0 HG22 THR A 29 -0.076 -2.922 2.414 1.00 65.24 H new ATOM 0 HG23 THR A 29 -0.900 -4.415 2.924 1.00 65.24 H new ATOM 475 N ASN A 30 0.171 -7.191 1.756 1.00 41.04 N ATOM 476 CA ASN A 30 -0.879 -8.186 1.595 1.00 70.14 C ATOM 477 C ASN A 30 -1.698 -8.288 2.873 1.00 70.11 C ATOM 478 O ASN A 30 -2.717 -8.976 2.920 1.00 74.44 O ATOM 479 CB ASN A 30 -0.270 -9.557 1.275 1.00 1.34 C ATOM 480 CG ASN A 30 0.769 -9.502 0.170 1.00 31.43 C ATOM 481 OD1 ASN A 30 1.957 -9.306 0.432 1.00 35.24 O ATOM 482 ND2 ASN A 30 0.338 -9.684 -1.069 1.00 21.11 N ATOM 0 H ASN A 30 0.932 -7.481 2.370 1.00 41.04 H new ATOM 0 HA ASN A 30 -1.523 -7.878 0.771 1.00 70.14 H new ATOM 0 HB2 ASN A 30 0.188 -9.964 2.176 1.00 1.34 H new ATOM 0 HB3 ASN A 30 -1.066 -10.243 0.984 1.00 1.34 H new ATOM 0 HD21 ASN A 30 0.998 -9.665 -1.847 1.00 21.11 H new ATOM 0 HD22 ASN A 30 -0.654 -9.844 -1.246 1.00 21.11 H new ATOM 489 N ASP A 31 -1.241 -7.594 3.908 1.00 1.14 N ATOM 490 CA ASP A 31 -1.865 -7.672 5.222 1.00 74.13 C ATOM 491 C ASP A 31 -2.865 -6.543 5.428 1.00 34.35 C ATOM 492 O ASP A 31 -2.581 -5.381 5.134 1.00 31.22 O ATOM 493 CB ASP A 31 -0.803 -7.635 6.317 1.00 52.13 C ATOM 494 CG ASP A 31 -1.417 -7.529 7.696 1.00 12.31 C ATOM 495 OD1 ASP A 31 -2.082 -8.492 8.130 1.00 34.32 O ATOM 496 OD2 ASP A 31 -1.248 -6.481 8.349 1.00 20.30 O ATOM 0 H ASP A 31 -0.437 -6.968 3.862 1.00 1.14 H new ATOM 0 HA ASP A 31 -2.404 -8.618 5.279 1.00 74.13 H new ATOM 0 HB2 ASP A 31 -0.192 -8.536 6.260 1.00 52.13 H new ATOM 0 HB3 ASP A 31 -0.138 -6.787 6.150 1.00 52.13 H new ATOM 501 N ALA A 32 -4.033 -6.894 5.949 1.00 71.12 N ATOM 502 CA ALA A 32 -5.101 -5.928 6.162 1.00 24.43 C ATOM 503 C ALA A 32 -4.857 -5.089 7.409 1.00 73.40 C ATOM 504 O ALA A 32 -5.206 -3.910 7.445 1.00 53.21 O ATOM 505 CB ALA A 32 -6.441 -6.639 6.254 1.00 12.41 C ATOM 0 H ALA A 32 -4.265 -7.846 6.233 1.00 71.12 H new ATOM 0 HA ALA A 32 -5.115 -5.252 5.307 1.00 24.43 H new ATOM 0 HB1 ALA A 32 -7.232 -5.906 6.413 1.00 12.41 H new ATOM 0 HB2 ALA A 32 -6.630 -7.181 5.327 1.00 12.41 H new ATOM 0 HB3 ALA A 32 -6.424 -7.341 7.088 1.00 12.41 H new ATOM 511 N VAL A 33 -4.238 -5.694 8.420 1.00 20.30 N ATOM 512 CA VAL A 33 -3.999 -5.015 9.691 1.00 63.05 C ATOM 513 C VAL A 33 -3.141 -3.769 9.484 1.00 4.13 C ATOM 514 O VAL A 33 -3.462 -2.685 9.987 1.00 43.31 O ATOM 515 CB VAL A 33 -3.307 -5.943 10.714 1.00 34.04 C ATOM 516 CG1 VAL A 33 -3.149 -5.250 12.057 1.00 1.12 C ATOM 517 CG2 VAL A 33 -4.077 -7.240 10.873 1.00 33.22 C ATOM 0 H VAL A 33 -3.893 -6.653 8.384 1.00 20.30 H new ATOM 0 HA VAL A 33 -4.973 -4.728 10.086 1.00 63.05 H new ATOM 0 HB VAL A 33 -2.313 -6.178 10.333 1.00 34.04 H new ATOM 0 HG11 VAL A 33 -2.659 -5.925 12.759 1.00 1.12 H new ATOM 0 HG12 VAL A 33 -2.543 -4.352 11.934 1.00 1.12 H new ATOM 0 HG13 VAL A 33 -4.131 -4.975 12.442 1.00 1.12 H new ATOM 0 HG21 VAL A 33 -3.571 -7.877 11.598 1.00 33.22 H new ATOM 0 HG22 VAL A 33 -5.086 -7.023 11.223 1.00 33.22 H new ATOM 0 HG23 VAL A 33 -4.128 -7.753 9.913 1.00 33.22 H new ATOM 527 N LEU A 34 -2.059 -3.934 8.732 1.00 35.14 N ATOM 528 CA LEU A 34 -1.164 -2.830 8.412 1.00 13.54 C ATOM 529 C LEU A 34 -1.900 -1.757 7.612 1.00 32.53 C ATOM 530 O LEU A 34 -1.720 -0.560 7.847 1.00 33.24 O ATOM 531 CB LEU A 34 0.046 -3.345 7.622 1.00 75.34 C ATOM 532 CG LEU A 34 1.116 -2.298 7.298 1.00 1.31 C ATOM 533 CD1 LEU A 34 1.724 -1.735 8.573 1.00 2.33 C ATOM 534 CD2 LEU A 34 2.197 -2.899 6.410 1.00 52.02 C ATOM 0 H LEU A 34 -1.780 -4.829 8.330 1.00 35.14 H new ATOM 0 HA LEU A 34 -0.814 -2.385 9.344 1.00 13.54 H new ATOM 0 HB2 LEU A 34 0.511 -4.151 8.189 1.00 75.34 H new ATOM 0 HB3 LEU A 34 -0.310 -3.777 6.687 1.00 75.34 H new ATOM 0 HG LEU A 34 0.640 -1.479 6.758 1.00 1.31 H new ATOM 0 HD11 LEU A 34 2.481 -0.993 8.318 1.00 2.33 H new ATOM 0 HD12 LEU A 34 0.943 -1.266 9.172 1.00 2.33 H new ATOM 0 HD13 LEU A 34 2.184 -2.542 9.144 1.00 2.33 H new ATOM 0 HD21 LEU A 34 2.949 -2.142 6.189 1.00 52.02 H new ATOM 0 HD22 LEU A 34 2.666 -3.737 6.925 1.00 52.02 H new ATOM 0 HD23 LEU A 34 1.750 -3.249 5.479 1.00 52.02 H new ATOM 546 N LEU A 35 -2.744 -2.198 6.685 1.00 61.11 N ATOM 547 CA LEU A 35 -3.517 -1.287 5.851 1.00 12.22 C ATOM 548 C LEU A 35 -4.449 -0.426 6.697 1.00 23.51 C ATOM 549 O LEU A 35 -4.555 0.778 6.472 1.00 52.41 O ATOM 550 CB LEU A 35 -4.321 -2.064 4.807 1.00 34.31 C ATOM 551 CG LEU A 35 -3.495 -2.682 3.678 1.00 63.52 C ATOM 552 CD1 LEU A 35 -4.357 -3.602 2.829 1.00 24.34 C ATOM 553 CD2 LEU A 35 -2.875 -1.590 2.816 1.00 20.15 C ATOM 0 H LEU A 35 -2.910 -3.186 6.492 1.00 61.11 H new ATOM 0 HA LEU A 35 -2.816 -0.630 5.337 1.00 12.22 H new ATOM 0 HB2 LEU A 35 -4.869 -2.859 5.312 1.00 34.31 H new ATOM 0 HB3 LEU A 35 -5.061 -1.394 4.370 1.00 34.31 H new ATOM 0 HG LEU A 35 -2.693 -3.273 4.120 1.00 63.52 H new ATOM 0 HD11 LEU A 35 -3.753 -4.033 2.031 1.00 24.34 H new ATOM 0 HD12 LEU A 35 -4.759 -4.401 3.452 1.00 24.34 H new ATOM 0 HD13 LEU A 35 -5.179 -3.033 2.395 1.00 24.34 H new ATOM 0 HD21 LEU A 35 -2.290 -2.045 2.017 1.00 20.15 H new ATOM 0 HD22 LEU A 35 -3.665 -0.976 2.383 1.00 20.15 H new ATOM 0 HD23 LEU A 35 -2.226 -0.966 3.430 1.00 20.15 H new ATOM 565 N SER A 36 -5.113 -1.042 7.670 1.00 23.32 N ATOM 566 CA SER A 36 -6.017 -0.316 8.554 1.00 55.42 C ATOM 567 C SER A 36 -5.278 0.788 9.306 1.00 33.21 C ATOM 568 O SER A 36 -5.793 1.896 9.466 1.00 22.35 O ATOM 569 CB SER A 36 -6.661 -1.273 9.557 1.00 30.30 C ATOM 570 OG SER A 36 -7.262 -2.378 8.907 1.00 51.54 O ATOM 0 H SER A 36 -5.042 -2.041 7.866 1.00 23.32 H new ATOM 0 HA SER A 36 -6.792 0.139 7.938 1.00 55.42 H new ATOM 0 HB2 SER A 36 -5.906 -1.629 10.259 1.00 30.30 H new ATOM 0 HB3 SER A 36 -7.412 -0.740 10.140 1.00 30.30 H new ATOM 0 HG SER A 36 -6.564 -2.970 8.556 1.00 51.54 H new ATOM 576 N ALA A 37 -4.065 0.480 9.754 1.00 35.42 N ATOM 577 CA ALA A 37 -3.276 1.424 10.532 1.00 22.23 C ATOM 578 C ALA A 37 -2.759 2.560 9.659 1.00 22.34 C ATOM 579 O ALA A 37 -3.003 3.730 9.947 1.00 42.21 O ATOM 580 CB ALA A 37 -2.122 0.706 11.210 1.00 31.33 C ATOM 0 H ALA A 37 -3.608 -0.417 9.591 1.00 35.42 H new ATOM 0 HA ALA A 37 -3.920 1.858 11.297 1.00 22.23 H new ATOM 0 HB1 ALA A 37 -1.538 1.421 11.789 1.00 31.33 H new ATOM 0 HB2 ALA A 37 -2.513 -0.065 11.874 1.00 31.33 H new ATOM 0 HB3 ALA A 37 -1.485 0.246 10.454 1.00 31.33 H new ATOM 586 N VAL A 38 -2.065 2.207 8.579 1.00 3.10 N ATOM 587 CA VAL A 38 -1.509 3.201 7.663 1.00 1.03 C ATOM 588 C VAL A 38 -2.624 4.037 7.050 1.00 31.23 C ATOM 589 O VAL A 38 -2.501 5.255 6.901 1.00 44.24 O ATOM 590 CB VAL A 38 -0.683 2.533 6.539 1.00 2.00 C ATOM 591 CG1 VAL A 38 -0.161 3.563 5.551 1.00 31.00 C ATOM 592 CG2 VAL A 38 0.470 1.735 7.124 1.00 73.45 C ATOM 0 H VAL A 38 -1.874 1.240 8.317 1.00 3.10 H new ATOM 0 HA VAL A 38 -0.846 3.846 8.239 1.00 1.03 H new ATOM 0 HB VAL A 38 -1.344 1.853 6.002 1.00 2.00 H new ATOM 0 HG11 VAL A 38 0.415 3.062 4.773 1.00 31.00 H new ATOM 0 HG12 VAL A 38 -1.000 4.090 5.098 1.00 31.00 H new ATOM 0 HG13 VAL A 38 0.477 4.277 6.072 1.00 31.00 H new ATOM 0 HG21 VAL A 38 1.039 1.273 6.317 1.00 73.45 H new ATOM 0 HG22 VAL A 38 1.121 2.399 7.693 1.00 73.45 H new ATOM 0 HG23 VAL A 38 0.079 0.960 7.782 1.00 73.45 H new ATOM 602 N GLY A 39 -3.720 3.370 6.727 1.00 71.04 N ATOM 603 CA GLY A 39 -4.860 4.035 6.139 1.00 65.13 C ATOM 604 C GLY A 39 -5.448 5.084 7.057 1.00 54.04 C ATOM 605 O GLY A 39 -5.663 6.217 6.638 1.00 4.12 O ATOM 0 H GLY A 39 -3.840 2.366 6.864 1.00 71.04 H new ATOM 0 HA2 GLY A 39 -4.561 4.502 5.201 1.00 65.13 H new ATOM 0 HA3 GLY A 39 -5.624 3.296 5.898 1.00 65.13 H new ATOM 609 N ALA A 40 -5.683 4.713 8.312 1.00 25.15 N ATOM 610 CA ALA A 40 -6.278 5.625 9.289 1.00 41.51 C ATOM 611 C ALA A 40 -5.363 6.813 9.567 1.00 71.54 C ATOM 612 O ALA A 40 -5.833 7.921 9.814 1.00 34.45 O ATOM 613 CB ALA A 40 -6.590 4.885 10.582 1.00 13.12 C ATOM 0 H ALA A 40 -5.471 3.785 8.679 1.00 25.15 H new ATOM 0 HA ALA A 40 -7.207 6.008 8.867 1.00 41.51 H new ATOM 0 HB1 ALA A 40 -7.032 5.576 11.299 1.00 13.12 H new ATOM 0 HB2 ALA A 40 -7.291 4.076 10.378 1.00 13.12 H new ATOM 0 HB3 ALA A 40 -5.670 4.472 10.996 1.00 13.12 H new ATOM 619 N LEU A 41 -4.060 6.577 9.511 1.00 44.14 N ATOM 620 CA LEU A 41 -3.075 7.624 9.757 1.00 15.34 C ATOM 621 C LEU A 41 -3.145 8.693 8.675 1.00 63.42 C ATOM 622 O LEU A 41 -3.273 9.881 8.968 1.00 54.52 O ATOM 623 CB LEU A 41 -1.661 7.034 9.808 1.00 42.12 C ATOM 624 CG LEU A 41 -1.387 6.099 10.983 1.00 41.41 C ATOM 625 CD1 LEU A 41 0.000 5.492 10.868 1.00 2.10 C ATOM 626 CD2 LEU A 41 -1.521 6.848 12.296 1.00 24.34 C ATOM 0 H LEU A 41 -3.657 5.665 9.296 1.00 44.14 H new ATOM 0 HA LEU A 41 -3.304 8.080 10.720 1.00 15.34 H new ATOM 0 HB2 LEU A 41 -1.478 6.490 8.881 1.00 42.12 H new ATOM 0 HB3 LEU A 41 -0.944 7.854 9.842 1.00 42.12 H new ATOM 0 HG LEU A 41 -2.122 5.295 10.961 1.00 41.41 H new ATOM 0 HD11 LEU A 41 0.178 4.828 11.714 1.00 2.10 H new ATOM 0 HD12 LEU A 41 0.073 4.925 9.940 1.00 2.10 H new ATOM 0 HD13 LEU A 41 0.746 6.287 10.867 1.00 2.10 H new ATOM 0 HD21 LEU A 41 -1.323 6.168 13.125 1.00 24.34 H new ATOM 0 HD22 LEU A 41 -0.805 7.669 12.321 1.00 24.34 H new ATOM 0 HD23 LEU A 41 -2.532 7.245 12.387 1.00 24.34 H new ATOM 638 N LEU A 42 -3.088 8.261 7.424 1.00 64.31 N ATOM 639 CA LEU A 42 -3.112 9.186 6.300 1.00 5.21 C ATOM 640 C LEU A 42 -4.515 9.745 6.093 1.00 24.24 C ATOM 641 O LEU A 42 -4.685 10.849 5.576 1.00 22.41 O ATOM 642 CB LEU A 42 -2.633 8.487 5.027 1.00 15.43 C ATOM 643 CG LEU A 42 -1.240 7.861 5.121 1.00 21.55 C ATOM 644 CD1 LEU A 42 -0.876 7.172 3.817 1.00 11.23 C ATOM 645 CD2 LEU A 42 -0.199 8.912 5.482 1.00 71.04 C ATOM 0 H LEU A 42 -3.025 7.277 7.161 1.00 64.31 H new ATOM 0 HA LEU A 42 -2.439 10.013 6.524 1.00 5.21 H new ATOM 0 HB2 LEU A 42 -3.349 7.707 4.767 1.00 15.43 H new ATOM 0 HB3 LEU A 42 -2.637 9.209 4.210 1.00 15.43 H new ATOM 0 HG LEU A 42 -1.255 7.112 5.913 1.00 21.55 H new ATOM 0 HD11 LEU A 42 0.118 6.733 3.903 1.00 11.23 H new ATOM 0 HD12 LEU A 42 -1.602 6.387 3.605 1.00 11.23 H new ATOM 0 HD13 LEU A 42 -0.882 7.901 3.006 1.00 11.23 H new ATOM 0 HD21 LEU A 42 0.784 8.445 5.543 1.00 71.04 H new ATOM 0 HD22 LEU A 42 -0.185 9.688 4.717 1.00 71.04 H new ATOM 0 HD23 LEU A 42 -0.450 9.357 6.445 1.00 71.04 H new ATOM 657 N ASP A 43 -5.517 8.973 6.495 1.00 45.31 N ATOM 658 CA ASP A 43 -6.907 9.389 6.367 1.00 2.30 C ATOM 659 C ASP A 43 -7.252 10.438 7.416 1.00 41.24 C ATOM 660 O ASP A 43 -7.679 11.544 7.081 1.00 61.52 O ATOM 661 CB ASP A 43 -7.831 8.183 6.526 1.00 0.11 C ATOM 662 CG ASP A 43 -9.247 8.457 6.080 1.00 22.44 C ATOM 663 OD1 ASP A 43 -10.061 8.912 6.904 1.00 15.23 O ATOM 664 OD2 ASP A 43 -9.554 8.200 4.896 1.00 24.54 O ATOM 0 H ASP A 43 -5.391 8.052 6.914 1.00 45.31 H new ATOM 0 HA ASP A 43 -7.045 9.823 5.377 1.00 2.30 H new ATOM 0 HB2 ASP A 43 -7.431 7.348 5.951 1.00 0.11 H new ATOM 0 HB3 ASP A 43 -7.839 7.875 7.571 1.00 0.11 H new ATOM 669 N GLY A 44 -7.022 10.088 8.680 1.00 70.31 N ATOM 670 CA GLY A 44 -7.404 10.953 9.787 1.00 51.44 C ATOM 671 C GLY A 44 -6.629 12.254 9.811 1.00 62.13 C ATOM 672 O GLY A 44 -7.175 13.304 10.151 1.00 64.12 O ATOM 0 H GLY A 44 -6.575 9.215 8.959 1.00 70.31 H new ATOM 0 HA2 GLY A 44 -8.470 11.172 9.720 1.00 51.44 H new ATOM 0 HA3 GLY A 44 -7.246 10.424 10.727 1.00 51.44 H new ATOM 676 N ALA A 45 -5.358 12.195 9.440 1.00 5.30 N ATOM 677 CA ALA A 45 -4.520 13.387 9.414 1.00 45.11 C ATOM 678 C ALA A 45 -4.728 14.166 8.118 1.00 2.33 C ATOM 679 O ALA A 45 -4.134 15.226 7.918 1.00 25.10 O ATOM 680 CB ALA A 45 -3.055 13.014 9.588 1.00 72.22 C ATOM 0 H ALA A 45 -4.885 11.338 9.154 1.00 5.30 H new ATOM 0 HA ALA A 45 -4.812 14.028 10.246 1.00 45.11 H new ATOM 0 HB1 ALA A 45 -2.445 13.917 9.566 1.00 72.22 H new ATOM 0 HB2 ALA A 45 -2.920 12.508 10.544 1.00 72.22 H new ATOM 0 HB3 ALA A 45 -2.750 12.350 8.779 1.00 72.22 H new ATOM 686 N ASP A 46 -5.582 13.627 7.244 1.00 14.13 N ATOM 687 CA ASP A 46 -5.923 14.271 5.971 1.00 52.55 C ATOM 688 C ASP A 46 -4.680 14.448 5.093 1.00 0.23 C ATOM 689 O ASP A 46 -4.622 15.326 4.229 1.00 32.41 O ATOM 690 CB ASP A 46 -6.612 15.619 6.237 1.00 63.15 C ATOM 691 CG ASP A 46 -7.245 16.223 4.997 1.00 1.44 C ATOM 692 OD1 ASP A 46 -8.161 15.594 4.428 1.00 2.21 O ATOM 693 OD2 ASP A 46 -6.843 17.334 4.596 1.00 74.32 O ATOM 0 H ASP A 46 -6.055 12.736 7.397 1.00 14.13 H new ATOM 0 HA ASP A 46 -6.615 13.628 5.427 1.00 52.55 H new ATOM 0 HB2 ASP A 46 -7.379 15.483 6.999 1.00 63.15 H new ATOM 0 HB3 ASP A 46 -5.881 16.319 6.642 1.00 63.15 H new ATOM 698 N ILE A 47 -3.700 13.577 5.298 1.00 44.25 N ATOM 699 CA ILE A 47 -2.452 13.623 4.548 1.00 34.53 C ATOM 700 C ILE A 47 -2.719 13.369 3.073 1.00 12.32 C ATOM 701 O ILE A 47 -2.144 14.010 2.196 1.00 32.12 O ATOM 702 CB ILE A 47 -1.440 12.583 5.082 1.00 30.52 C ATOM 703 CG1 ILE A 47 -1.093 12.869 6.548 1.00 22.23 C ATOM 704 CG2 ILE A 47 -0.178 12.558 4.232 1.00 3.22 C ATOM 705 CD1 ILE A 47 -0.461 14.226 6.775 1.00 52.22 C ATOM 0 H ILE A 47 -3.747 12.824 5.984 1.00 44.25 H new ATOM 0 HA ILE A 47 -2.021 14.616 4.673 1.00 34.53 H new ATOM 0 HB ILE A 47 -1.908 11.600 5.021 1.00 30.52 H new ATOM 0 HG12 ILE A 47 -2.001 12.797 7.147 1.00 22.23 H new ATOM 0 HG13 ILE A 47 -0.412 12.097 6.907 1.00 22.23 H new ATOM 0 HG21 ILE A 47 0.515 11.818 4.631 1.00 3.22 H new ATOM 0 HG22 ILE A 47 -0.436 12.297 3.206 1.00 3.22 H new ATOM 0 HG23 ILE A 47 0.292 13.541 4.249 1.00 3.22 H new ATOM 0 HD11 ILE A 47 -0.245 14.354 7.836 1.00 52.22 H new ATOM 0 HD12 ILE A 47 0.465 14.296 6.205 1.00 52.22 H new ATOM 0 HD13 ILE A 47 -1.148 15.007 6.448 1.00 52.22 H new ATOM 717 N GLY A 48 -3.622 12.449 2.818 1.00 22.50 N ATOM 718 CA GLY A 48 -3.969 12.119 1.457 1.00 51.25 C ATOM 719 C GLY A 48 -3.495 10.743 1.064 1.00 61.54 C ATOM 720 O GLY A 48 -2.314 10.426 1.188 1.00 51.01 O ATOM 0 H GLY A 48 -4.125 11.920 3.530 1.00 22.50 H new ATOM 0 HA2 GLY A 48 -5.051 12.177 1.336 1.00 51.25 H new ATOM 0 HA3 GLY A 48 -3.533 12.857 0.784 1.00 51.25 H new ATOM 724 N HIS A 49 -4.415 9.928 0.583 1.00 10.04 N ATOM 725 CA HIS A 49 -4.095 8.565 0.199 1.00 31.11 C ATOM 726 C HIS A 49 -4.803 8.191 -1.092 1.00 3.40 C ATOM 727 O HIS A 49 -5.940 8.597 -1.325 1.00 24.13 O ATOM 728 CB HIS A 49 -4.486 7.576 1.312 1.00 70.21 C ATOM 729 CG HIS A 49 -5.898 7.726 1.824 1.00 43.33 C ATOM 730 ND1 HIS A 49 -7.024 7.624 1.025 1.00 73.01 N ATOM 731 CD2 HIS A 49 -6.360 7.975 3.074 1.00 41.35 C ATOM 732 CE1 HIS A 49 -8.104 7.807 1.761 1.00 64.10 C ATOM 733 NE2 HIS A 49 -7.731 8.023 3.004 1.00 70.34 N ATOM 0 H HIS A 49 -5.392 10.187 0.448 1.00 10.04 H new ATOM 0 HA HIS A 49 -3.018 8.507 0.041 1.00 31.11 H new ATOM 0 HB2 HIS A 49 -4.356 6.560 0.938 1.00 70.21 H new ATOM 0 HB3 HIS A 49 -3.797 7.699 2.147 1.00 70.21 H new ATOM 0 HD2 HIS A 49 -5.760 8.111 3.962 1.00 41.35 H new ATOM 0 HE1 HIS A 49 -9.123 7.783 1.403 1.00 64.10 H new ATOM 0 HE2 HIS A 49 -8.358 8.198 3.789 1.00 70.34 H new ATOM 742 N LEU A 50 -4.122 7.444 -1.938 1.00 74.32 N ATOM 743 CA LEU A 50 -4.753 6.870 -3.112 1.00 71.34 C ATOM 744 C LEU A 50 -4.866 5.365 -2.907 1.00 3.45 C ATOM 745 O LEU A 50 -3.940 4.608 -3.216 1.00 34.21 O ATOM 746 CB LEU A 50 -3.949 7.193 -4.378 1.00 50.22 C ATOM 747 CG LEU A 50 -4.761 7.294 -5.681 1.00 61.14 C ATOM 748 CD1 LEU A 50 -5.443 5.975 -6.013 1.00 72.53 C ATOM 749 CD2 LEU A 50 -5.788 8.412 -5.579 1.00 60.34 C ATOM 0 H LEU A 50 -3.132 7.220 -1.835 1.00 74.32 H new ATOM 0 HA LEU A 50 -5.746 7.299 -3.245 1.00 71.34 H new ATOM 0 HB2 LEU A 50 -3.428 8.138 -4.223 1.00 50.22 H new ATOM 0 HB3 LEU A 50 -3.186 6.425 -4.506 1.00 50.22 H new ATOM 0 HG LEU A 50 -4.068 7.524 -6.490 1.00 61.14 H new ATOM 0 HD11 LEU A 50 -6.008 6.081 -6.939 1.00 72.53 H new ATOM 0 HD12 LEU A 50 -4.690 5.196 -6.134 1.00 72.53 H new ATOM 0 HD13 LEU A 50 -6.120 5.702 -5.204 1.00 72.53 H new ATOM 0 HD21 LEU A 50 -6.355 8.471 -6.508 1.00 60.34 H new ATOM 0 HD22 LEU A 50 -6.468 8.207 -4.752 1.00 60.34 H new ATOM 0 HD23 LEU A 50 -5.278 9.359 -5.404 1.00 60.34 H new ATOM 761 N VAL A 51 -5.985 4.939 -2.339 1.00 33.54 N ATOM 762 CA VAL A 51 -6.176 3.539 -2.002 1.00 71.20 C ATOM 763 C VAL A 51 -7.517 3.021 -2.507 1.00 71.24 C ATOM 764 O VAL A 51 -8.248 3.724 -3.206 1.00 43.21 O ATOM 765 CB VAL A 51 -6.088 3.301 -0.476 1.00 72.41 C ATOM 766 CG1 VAL A 51 -4.700 3.636 0.048 1.00 51.54 C ATOM 767 CG2 VAL A 51 -7.149 4.107 0.266 1.00 2.41 C ATOM 0 H VAL A 51 -6.772 5.543 -2.103 1.00 33.54 H new ATOM 0 HA VAL A 51 -5.371 2.992 -2.494 1.00 71.20 H new ATOM 0 HB VAL A 51 -6.276 2.243 -0.294 1.00 72.41 H new ATOM 0 HG11 VAL A 51 -4.665 3.460 1.123 1.00 51.54 H new ATOM 0 HG12 VAL A 51 -3.962 3.005 -0.447 1.00 51.54 H new ATOM 0 HG13 VAL A 51 -4.477 4.683 -0.156 1.00 51.54 H new ATOM 0 HG21 VAL A 51 -7.065 3.921 1.337 1.00 2.41 H new ATOM 0 HG22 VAL A 51 -7.003 5.169 0.070 1.00 2.41 H new ATOM 0 HG23 VAL A 51 -8.139 3.808 -0.077 1.00 2.41 H new ATOM 777 N LEU A 52 -7.818 1.784 -2.145 1.00 74.53 N ATOM 778 CA LEU A 52 -9.057 1.129 -2.526 1.00 35.54 C ATOM 779 C LEU A 52 -9.295 -0.037 -1.578 1.00 1.00 C ATOM 780 O LEU A 52 -8.344 -0.539 -0.973 1.00 23.31 O ATOM 781 CB LEU A 52 -8.973 0.634 -3.976 1.00 33.00 C ATOM 782 CG LEU A 52 -10.279 0.091 -4.561 1.00 73.13 C ATOM 783 CD1 LEU A 52 -11.338 1.180 -4.598 1.00 1.02 C ATOM 784 CD2 LEU A 52 -10.046 -0.479 -5.956 1.00 42.21 C ATOM 0 H LEU A 52 -7.204 1.203 -1.574 1.00 74.53 H new ATOM 0 HA LEU A 52 -9.886 1.833 -2.460 1.00 35.54 H new ATOM 0 HB2 LEU A 52 -8.628 1.456 -4.603 1.00 33.00 H new ATOM 0 HB3 LEU A 52 -8.217 -0.149 -4.032 1.00 33.00 H new ATOM 0 HG LEU A 52 -10.636 -0.714 -3.918 1.00 73.13 H new ATOM 0 HD11 LEU A 52 -12.260 0.777 -5.017 1.00 1.02 H new ATOM 0 HD12 LEU A 52 -11.526 1.540 -3.586 1.00 1.02 H new ATOM 0 HD13 LEU A 52 -10.989 2.006 -5.218 1.00 1.02 H new ATOM 0 HD21 LEU A 52 -10.986 -0.860 -6.355 1.00 42.21 H new ATOM 0 HD22 LEU A 52 -9.665 0.305 -6.610 1.00 42.21 H new ATOM 0 HD23 LEU A 52 -9.320 -1.290 -5.901 1.00 42.21 H new ATOM 796 N ASP A 53 -10.543 -0.460 -1.434 1.00 65.13 N ATOM 797 CA ASP A 53 -10.857 -1.584 -0.560 1.00 51.43 C ATOM 798 C ASP A 53 -10.324 -2.871 -1.178 1.00 4.02 C ATOM 799 O ASP A 53 -10.317 -3.019 -2.402 1.00 4.23 O ATOM 800 CB ASP A 53 -12.364 -1.681 -0.320 1.00 65.42 C ATOM 801 CG ASP A 53 -12.704 -2.607 0.831 1.00 53.51 C ATOM 802 OD1 ASP A 53 -12.739 -3.836 0.623 1.00 13.53 O ATOM 803 OD2 ASP A 53 -12.936 -2.110 1.954 1.00 12.43 O ATOM 0 H ASP A 53 -11.348 -0.048 -1.905 1.00 65.13 H new ATOM 0 HA ASP A 53 -10.378 -1.428 0.406 1.00 51.43 H new ATOM 0 HB2 ASP A 53 -12.762 -0.687 -0.114 1.00 65.42 H new ATOM 0 HB3 ASP A 53 -12.852 -2.038 -1.227 1.00 65.42 H new ATOM 808 N GLN A 54 -9.874 -3.795 -0.344 1.00 74.42 N ATOM 809 CA GLN A 54 -9.130 -4.944 -0.838 1.00 62.44 C ATOM 810 C GLN A 54 -9.774 -6.277 -0.460 1.00 14.13 C ATOM 811 O GLN A 54 -9.125 -7.319 -0.530 1.00 53.31 O ATOM 812 CB GLN A 54 -7.683 -4.871 -0.327 1.00 74.14 C ATOM 813 CG GLN A 54 -7.561 -4.705 1.184 1.00 31.40 C ATOM 814 CD GLN A 54 -7.518 -6.025 1.936 1.00 54.22 C ATOM 815 OE1 GLN A 54 -8.004 -6.129 3.064 1.00 1.35 O ATOM 816 NE2 GLN A 54 -6.908 -7.034 1.331 1.00 41.42 N ATOM 0 H GLN A 54 -10.008 -3.774 0.667 1.00 74.42 H new ATOM 0 HA GLN A 54 -9.141 -4.902 -1.927 1.00 62.44 H new ATOM 0 HB2 GLN A 54 -7.158 -5.779 -0.625 1.00 74.14 H new ATOM 0 HB3 GLN A 54 -7.179 -4.037 -0.815 1.00 74.14 H new ATOM 0 HG2 GLN A 54 -6.657 -4.139 1.408 1.00 31.40 H new ATOM 0 HG3 GLN A 54 -8.404 -4.116 1.546 1.00 31.40 H new ATOM 0 HE21 GLN A 54 -6.519 -6.908 0.397 1.00 41.42 H new ATOM 0 HE22 GLN A 54 -6.828 -7.936 1.800 1.00 41.42 H new ATOM 825 N ASN A 55 -11.047 -6.264 -0.087 1.00 11.15 N ATOM 826 CA ASN A 55 -11.730 -7.512 0.244 1.00 1.13 C ATOM 827 C ASN A 55 -13.201 -7.441 -0.151 1.00 32.23 C ATOM 828 O ASN A 55 -13.860 -6.421 0.044 1.00 12.33 O ATOM 829 CB ASN A 55 -11.593 -7.826 1.741 1.00 60.21 C ATOM 830 CG ASN A 55 -11.743 -9.308 2.047 1.00 11.23 C ATOM 831 OD1 ASN A 55 -12.447 -10.041 1.349 1.00 32.02 O ATOM 832 ND2 ASN A 55 -11.072 -9.764 3.095 1.00 2.35 N ATOM 0 H ASN A 55 -11.619 -5.424 -0.006 1.00 11.15 H new ATOM 0 HA ASN A 55 -11.259 -8.316 -0.321 1.00 1.13 H new ATOM 0 HB2 ASN A 55 -10.620 -7.484 2.092 1.00 60.21 H new ATOM 0 HB3 ASN A 55 -12.347 -7.267 2.296 1.00 60.21 H new ATOM 0 HD21 ASN A 55 -11.128 -10.751 3.347 1.00 2.35 H new ATOM 0 HD22 ASN A 55 -10.499 -9.128 3.650 1.00 2.35 H new ATOM 839 N MET A 56 -13.710 -8.526 -0.714 1.00 35.23 N ATOM 840 CA MET A 56 -15.093 -8.580 -1.168 1.00 72.25 C ATOM 841 C MET A 56 -16.029 -8.821 0.007 1.00 60.25 C ATOM 842 O MET A 56 -15.696 -9.560 0.934 1.00 14.24 O ATOM 843 CB MET A 56 -15.286 -9.692 -2.208 1.00 1.23 C ATOM 844 CG MET A 56 -14.451 -9.526 -3.471 1.00 40.05 C ATOM 845 SD MET A 56 -12.699 -9.887 -3.223 1.00 71.33 S ATOM 846 CE MET A 56 -12.767 -11.610 -2.739 1.00 4.00 C ATOM 0 H MET A 56 -13.184 -9.386 -0.868 1.00 35.23 H new ATOM 0 HA MET A 56 -15.329 -7.621 -1.629 1.00 72.25 H new ATOM 0 HB2 MET A 56 -15.040 -10.649 -1.748 1.00 1.23 H new ATOM 0 HB3 MET A 56 -16.339 -9.733 -2.486 1.00 1.23 H new ATOM 0 HG2 MET A 56 -14.844 -10.183 -4.247 1.00 40.05 H new ATOM 0 HG3 MET A 56 -14.556 -8.504 -3.836 1.00 40.05 H new ATOM 0 HE1 MET A 56 -11.965 -12.159 -3.234 1.00 4.00 H new ATOM 0 HE2 MET A 56 -12.648 -11.689 -1.658 1.00 4.00 H new ATOM 0 HE3 MET A 56 -13.729 -12.032 -3.030 1.00 4.00 H new ATOM 856 N SER A 57 -17.200 -8.203 -0.032 1.00 4.44 N ATOM 857 CA SER A 57 -18.193 -8.392 1.012 1.00 63.24 C ATOM 858 C SER A 57 -19.007 -9.652 0.727 1.00 12.41 C ATOM 859 O SER A 57 -20.216 -9.587 0.493 1.00 53.31 O ATOM 860 CB SER A 57 -19.106 -7.167 1.100 1.00 45.05 C ATOM 861 OG SER A 57 -18.353 -5.981 1.312 1.00 1.13 O ATOM 0 H SER A 57 -17.485 -7.566 -0.776 1.00 4.44 H new ATOM 0 HA SER A 57 -17.688 -8.511 1.971 1.00 63.24 H new ATOM 0 HB2 SER A 57 -19.685 -7.074 0.181 1.00 45.05 H new ATOM 0 HB3 SER A 57 -19.819 -7.299 1.914 1.00 45.05 H new ATOM 0 HG SER A 57 -18.960 -5.213 1.363 1.00 1.13 H new ATOM 867 N ILE A 58 -18.317 -10.794 0.750 1.00 22.44 N ATOM 868 CA ILE A 58 -18.899 -12.084 0.389 1.00 32.35 C ATOM 869 C ILE A 58 -19.194 -12.134 -1.111 1.00 65.45 C ATOM 870 O ILE A 58 -20.261 -11.723 -1.568 1.00 13.25 O ATOM 871 CB ILE A 58 -20.182 -12.406 1.196 1.00 53.04 C ATOM 872 CG1 ILE A 58 -19.878 -12.428 2.700 1.00 1.11 C ATOM 873 CG2 ILE A 58 -20.778 -13.738 0.758 1.00 5.23 C ATOM 874 CD1 ILE A 58 -18.856 -13.472 3.105 1.00 72.02 C ATOM 0 H ILE A 58 -17.335 -10.848 1.021 1.00 22.44 H new ATOM 0 HA ILE A 58 -18.161 -12.846 0.641 1.00 32.35 H new ATOM 0 HB ILE A 58 -20.913 -11.622 0.998 1.00 53.04 H new ATOM 0 HG12 ILE A 58 -19.518 -11.445 3.002 1.00 1.11 H new ATOM 0 HG13 ILE A 58 -20.804 -12.610 3.245 1.00 1.11 H new ATOM 0 HG21 ILE A 58 -21.678 -13.943 1.338 1.00 5.23 H new ATOM 0 HG22 ILE A 58 -21.032 -13.692 -0.301 1.00 5.23 H new ATOM 0 HG23 ILE A 58 -20.051 -14.534 0.923 1.00 5.23 H new ATOM 0 HD11 ILE A 58 -18.695 -13.425 4.182 1.00 72.02 H new ATOM 0 HD12 ILE A 58 -19.222 -14.463 2.836 1.00 72.02 H new ATOM 0 HD13 ILE A 58 -17.915 -13.280 2.589 1.00 72.02 H new ATOM 886 N LEU A 59 -18.215 -12.602 -1.872 1.00 51.20 N ATOM 887 CA LEU A 59 -18.339 -12.715 -3.321 1.00 1.13 C ATOM 888 C LEU A 59 -17.306 -13.697 -3.848 1.00 14.31 C ATOM 889 O LEU A 59 -16.126 -13.357 -3.917 1.00 2.41 O ATOM 890 CB LEU A 59 -18.148 -11.347 -3.989 1.00 5.11 C ATOM 891 CG LEU A 59 -18.166 -11.355 -5.520 1.00 70.41 C ATOM 892 CD1 LEU A 59 -19.523 -11.805 -6.041 1.00 34.32 C ATOM 893 CD2 LEU A 59 -17.808 -9.980 -6.063 1.00 55.45 C ATOM 0 H LEU A 59 -17.315 -12.913 -1.506 1.00 51.20 H new ATOM 0 HA LEU A 59 -19.339 -13.078 -3.558 1.00 1.13 H new ATOM 0 HB2 LEU A 59 -18.932 -10.677 -3.637 1.00 5.11 H new ATOM 0 HB3 LEU A 59 -17.198 -10.929 -3.656 1.00 5.11 H new ATOM 0 HG LEU A 59 -17.418 -12.067 -5.869 1.00 70.41 H new ATOM 0 HD11 LEU A 59 -19.513 -11.803 -7.131 1.00 34.32 H new ATOM 0 HD12 LEU A 59 -19.735 -12.812 -5.682 1.00 34.32 H new ATOM 0 HD13 LEU A 59 -20.294 -11.123 -5.684 1.00 34.32 H new ATOM 0 HD21 LEU A 59 -17.825 -10.003 -7.153 1.00 55.45 H new ATOM 0 HD22 LEU A 59 -18.531 -9.248 -5.704 1.00 55.45 H new ATOM 0 HD23 LEU A 59 -16.811 -9.703 -5.722 1.00 55.45 H new ATOM 905 N GLU A 60 -17.779 -14.904 -4.203 1.00 53.44 N ATOM 906 CA GLU A 60 -16.963 -16.055 -4.649 1.00 52.23 C ATOM 907 C GLU A 60 -15.869 -16.454 -3.641 1.00 64.14 C ATOM 908 O GLU A 60 -15.812 -17.607 -3.215 1.00 52.45 O ATOM 909 CB GLU A 60 -16.408 -15.874 -6.082 1.00 44.44 C ATOM 910 CG GLU A 60 -15.427 -14.728 -6.294 1.00 15.50 C ATOM 911 CD GLU A 60 -15.163 -14.462 -7.762 1.00 4.41 C ATOM 912 OE1 GLU A 60 -14.337 -15.178 -8.366 1.00 31.43 O ATOM 913 OE2 GLU A 60 -15.796 -13.547 -8.328 1.00 3.14 O ATOM 0 H GLU A 60 -18.777 -15.116 -4.188 1.00 53.44 H new ATOM 0 HA GLU A 60 -17.651 -16.900 -4.689 1.00 52.23 H new ATOM 0 HB2 GLU A 60 -15.917 -16.801 -6.377 1.00 44.44 H new ATOM 0 HB3 GLU A 60 -17.251 -15.730 -6.758 1.00 44.44 H new ATOM 0 HG2 GLU A 60 -15.821 -13.825 -5.828 1.00 15.50 H new ATOM 0 HG3 GLU A 60 -14.487 -14.960 -5.794 1.00 15.50 H new ATOM 920 N GLY A 61 -15.022 -15.516 -3.251 1.00 25.33 N ATOM 921 CA GLY A 61 -14.033 -15.776 -2.232 1.00 42.10 C ATOM 922 C GLY A 61 -14.402 -15.095 -0.933 1.00 31.23 C ATOM 923 O GLY A 61 -14.456 -13.866 -0.868 1.00 33.55 O ATOM 0 H GLY A 61 -15.004 -14.568 -3.628 1.00 25.33 H new ATOM 0 HA2 GLY A 61 -13.945 -16.850 -2.071 1.00 42.10 H new ATOM 0 HA3 GLY A 61 -13.058 -15.423 -2.568 1.00 42.10 H new ATOM 927 N SER A 62 -14.694 -15.888 0.088 1.00 22.22 N ATOM 928 CA SER A 62 -15.073 -15.357 1.391 1.00 25.42 C ATOM 929 C SER A 62 -13.928 -14.556 2.005 1.00 12.12 C ATOM 930 O SER A 62 -14.130 -13.459 2.527 1.00 44.30 O ATOM 931 CB SER A 62 -15.491 -16.498 2.319 1.00 53.11 C ATOM 932 OG SER A 62 -16.519 -17.278 1.728 1.00 31.45 O ATOM 0 H SER A 62 -14.676 -16.907 0.039 1.00 22.22 H new ATOM 0 HA SER A 62 -15.920 -14.684 1.259 1.00 25.42 H new ATOM 0 HB2 SER A 62 -14.630 -17.129 2.537 1.00 53.11 H new ATOM 0 HB3 SER A 62 -15.837 -16.092 3.269 1.00 53.11 H new ATOM 0 HG SER A 62 -16.771 -18.003 2.337 1.00 31.45 H new ATOM 938 N LEU A 63 -12.724 -15.103 1.928 1.00 34.31 N ATOM 939 CA LEU A 63 -11.541 -14.401 2.394 1.00 42.22 C ATOM 940 C LEU A 63 -10.522 -14.298 1.265 1.00 23.43 C ATOM 941 O LEU A 63 -9.668 -15.173 1.098 1.00 11.45 O ATOM 942 CB LEU A 63 -10.931 -15.116 3.605 1.00 32.02 C ATOM 943 CG LEU A 63 -9.753 -14.395 4.270 1.00 74.54 C ATOM 944 CD1 LEU A 63 -10.186 -13.035 4.799 1.00 11.41 C ATOM 945 CD2 LEU A 63 -9.176 -15.250 5.390 1.00 13.15 C ATOM 0 H LEU A 63 -12.542 -16.031 1.547 1.00 34.31 H new ATOM 0 HA LEU A 63 -11.828 -13.396 2.703 1.00 42.22 H new ATOM 0 HB2 LEU A 63 -11.713 -15.263 4.350 1.00 32.02 H new ATOM 0 HB3 LEU A 63 -10.599 -16.106 3.292 1.00 32.02 H new ATOM 0 HG LEU A 63 -8.976 -14.236 3.522 1.00 74.54 H new ATOM 0 HD11 LEU A 63 -9.336 -12.539 5.267 1.00 11.41 H new ATOM 0 HD12 LEU A 63 -10.553 -12.424 3.974 1.00 11.41 H new ATOM 0 HD13 LEU A 63 -10.980 -13.167 5.535 1.00 11.41 H new ATOM 0 HD21 LEU A 63 -8.340 -14.726 5.854 1.00 13.15 H new ATOM 0 HD22 LEU A 63 -9.946 -15.438 6.138 1.00 13.15 H new ATOM 0 HD23 LEU A 63 -8.828 -16.199 4.981 1.00 13.15 H new ATOM 957 N GLY A 64 -10.639 -13.239 0.474 1.00 1.05 N ATOM 958 CA GLY A 64 -9.737 -13.038 -0.643 1.00 64.21 C ATOM 959 C GLY A 64 -8.534 -12.208 -0.257 1.00 44.35 C ATOM 960 O GLY A 64 -8.630 -11.336 0.606 1.00 32.05 O ATOM 0 H GLY A 64 -11.346 -12.513 0.587 1.00 1.05 H new ATOM 0 HA2 GLY A 64 -9.404 -14.006 -1.019 1.00 64.21 H new ATOM 0 HA3 GLY A 64 -10.271 -12.546 -1.456 1.00 64.21 H new ATOM 964 N VAL A 65 -7.400 -12.479 -0.884 1.00 43.23 N ATOM 965 CA VAL A 65 -6.180 -11.753 -0.584 1.00 3.33 C ATOM 966 C VAL A 65 -5.845 -10.794 -1.718 1.00 73.32 C ATOM 967 O VAL A 65 -5.205 -11.171 -2.704 1.00 10.11 O ATOM 968 CB VAL A 65 -4.984 -12.700 -0.338 1.00 42.33 C ATOM 969 CG1 VAL A 65 -3.747 -11.913 0.073 1.00 21.12 C ATOM 970 CG2 VAL A 65 -5.331 -13.738 0.719 1.00 32.31 C ATOM 0 H VAL A 65 -7.301 -13.196 -1.603 1.00 43.23 H new ATOM 0 HA VAL A 65 -6.358 -11.193 0.334 1.00 3.33 H new ATOM 0 HB VAL A 65 -4.764 -13.219 -1.271 1.00 42.33 H new ATOM 0 HG11 VAL A 65 -2.918 -12.600 0.241 1.00 21.12 H new ATOM 0 HG12 VAL A 65 -3.483 -11.212 -0.718 1.00 21.12 H new ATOM 0 HG13 VAL A 65 -3.954 -11.363 0.991 1.00 21.12 H new ATOM 0 HG21 VAL A 65 -4.476 -14.395 0.878 1.00 32.31 H new ATOM 0 HG22 VAL A 65 -5.581 -13.236 1.654 1.00 32.31 H new ATOM 0 HG23 VAL A 65 -6.184 -14.327 0.384 1.00 32.31 H new ATOM 980 N ILE A 66 -6.324 -9.569 -1.600 1.00 41.05 N ATOM 981 CA ILE A 66 -6.006 -8.529 -2.564 1.00 43.32 C ATOM 982 C ILE A 66 -4.926 -7.614 -1.996 1.00 63.13 C ATOM 983 O ILE A 66 -5.176 -6.862 -1.055 1.00 22.41 O ATOM 984 CB ILE A 66 -7.252 -7.689 -2.934 1.00 75.33 C ATOM 985 CG1 ILE A 66 -8.352 -8.585 -3.513 1.00 22.33 C ATOM 986 CG2 ILE A 66 -6.894 -6.579 -3.919 1.00 63.21 C ATOM 987 CD1 ILE A 66 -7.946 -9.313 -4.777 1.00 32.32 C ATOM 0 H ILE A 66 -6.938 -9.268 -0.843 1.00 41.05 H new ATOM 0 HA ILE A 66 -5.646 -9.015 -3.471 1.00 43.32 H new ATOM 0 HB ILE A 66 -7.626 -7.223 -2.022 1.00 75.33 H new ATOM 0 HG12 ILE A 66 -8.644 -9.318 -2.761 1.00 22.33 H new ATOM 0 HG13 ILE A 66 -9.231 -7.976 -3.722 1.00 22.33 H new ATOM 0 HG21 ILE A 66 -7.788 -6.005 -4.161 1.00 63.21 H new ATOM 0 HG22 ILE A 66 -6.151 -5.920 -3.470 1.00 63.21 H new ATOM 0 HG23 ILE A 66 -6.487 -7.018 -4.830 1.00 63.21 H new ATOM 0 HD11 ILE A 66 -8.776 -9.927 -5.126 1.00 32.32 H new ATOM 0 HD12 ILE A 66 -7.682 -8.587 -5.546 1.00 32.32 H new ATOM 0 HD13 ILE A 66 -7.086 -9.950 -4.570 1.00 32.32 H new ATOM 999 N PRO A 67 -3.702 -7.697 -2.538 1.00 2.11 N ATOM 1000 CA PRO A 67 -2.585 -6.860 -2.097 1.00 53.34 C ATOM 1001 C PRO A 67 -2.810 -5.393 -2.441 1.00 61.23 C ATOM 1002 O PRO A 67 -2.816 -5.010 -3.615 1.00 21.42 O ATOM 1003 CB PRO A 67 -1.384 -7.419 -2.864 1.00 13.32 C ATOM 1004 CG PRO A 67 -1.968 -8.101 -4.055 1.00 22.33 C ATOM 1005 CD PRO A 67 -3.313 -8.613 -3.625 1.00 1.12 C ATOM 0 HA PRO A 67 -2.452 -6.887 -1.015 1.00 53.34 H new ATOM 0 HB2 PRO A 67 -0.701 -6.623 -3.161 1.00 13.32 H new ATOM 0 HB3 PRO A 67 -0.814 -8.116 -2.250 1.00 13.32 H new ATOM 0 HG2 PRO A 67 -2.064 -7.409 -4.892 1.00 22.33 H new ATOM 0 HG3 PRO A 67 -1.328 -8.918 -4.389 1.00 22.33 H new ATOM 0 HD2 PRO A 67 -4.031 -8.590 -4.445 1.00 1.12 H new ATOM 0 HD3 PRO A 67 -3.257 -9.645 -3.279 1.00 1.12 H new ATOM 1013 N ARG A 68 -3.010 -4.573 -1.425 1.00 62.41 N ATOM 1014 CA ARG A 68 -3.285 -3.168 -1.648 1.00 50.03 C ATOM 1015 C ARG A 68 -2.037 -2.325 -1.420 1.00 35.32 C ATOM 1016 O ARG A 68 -1.248 -2.580 -0.508 1.00 0.54 O ATOM 1017 CB ARG A 68 -4.432 -2.673 -0.760 1.00 44.14 C ATOM 1018 CG ARG A 68 -4.803 -1.218 -1.021 1.00 23.22 C ATOM 1019 CD ARG A 68 -5.214 -1.002 -2.470 1.00 72.31 C ATOM 1020 NE ARG A 68 -4.828 0.323 -2.961 1.00 62.43 N ATOM 1021 CZ ARG A 68 -4.986 0.728 -4.226 1.00 22.55 C ATOM 1022 NH1 ARG A 68 -5.541 -0.080 -5.122 1.00 1.52 N ATOM 1023 NH2 ARG A 68 -4.583 1.941 -4.593 1.00 24.32 N ATOM 0 H ARG A 68 -2.987 -4.854 -0.445 1.00 62.41 H new ATOM 0 HA ARG A 68 -3.592 -3.058 -2.688 1.00 50.03 H new ATOM 0 HB2 ARG A 68 -5.308 -3.300 -0.924 1.00 44.14 H new ATOM 0 HB3 ARG A 68 -4.149 -2.788 0.286 1.00 44.14 H new ATOM 0 HG2 ARG A 68 -5.620 -0.925 -0.362 1.00 23.22 H new ATOM 0 HG3 ARG A 68 -3.955 -0.576 -0.782 1.00 23.22 H new ATOM 0 HD2 ARG A 68 -4.754 -1.768 -3.095 1.00 72.31 H new ATOM 0 HD3 ARG A 68 -6.294 -1.122 -2.562 1.00 72.31 H new ATOM 0 HE ARG A 68 -4.413 0.977 -2.297 1.00 62.43 H new ATOM 0 HH11 ARG A 68 -5.848 -1.013 -4.846 1.00 1.52 H new ATOM 0 HH12 ARG A 68 -5.660 0.232 -6.086 1.00 1.52 H new ATOM 0 HH21 ARG A 68 -4.153 2.564 -3.909 1.00 24.32 H new ATOM 0 HH22 ARG A 68 -4.704 2.248 -5.558 1.00 24.32 H new ATOM 1037 N ARG A 69 -1.871 -1.330 -2.268 1.00 40.43 N ATOM 1038 CA ARG A 69 -0.757 -0.410 -2.169 1.00 5.31 C ATOM 1039 C ARG A 69 -1.253 0.987 -1.818 1.00 41.14 C ATOM 1040 O ARG A 69 -2.354 1.385 -2.209 1.00 14.11 O ATOM 1041 CB ARG A 69 0.014 -0.386 -3.488 1.00 21.03 C ATOM 1042 CG ARG A 69 -0.858 -0.072 -4.690 1.00 74.11 C ATOM 1043 CD ARG A 69 -0.065 -0.142 -5.978 1.00 25.34 C ATOM 1044 NE ARG A 69 -0.876 0.190 -7.147 1.00 2.22 N ATOM 1045 CZ ARG A 69 -0.365 0.611 -8.302 1.00 33.31 C ATOM 1046 NH1 ARG A 69 0.944 0.772 -8.427 1.00 51.12 N ATOM 1047 NH2 ARG A 69 -1.166 0.880 -9.325 1.00 11.43 N ATOM 0 H ARG A 69 -2.504 -1.137 -3.044 1.00 40.43 H new ATOM 0 HA ARG A 69 -0.089 -0.746 -1.376 1.00 5.31 H new ATOM 0 HB2 ARG A 69 0.810 0.356 -3.422 1.00 21.03 H new ATOM 0 HB3 ARG A 69 0.492 -1.354 -3.638 1.00 21.03 H new ATOM 0 HG2 ARG A 69 -1.689 -0.776 -4.733 1.00 74.11 H new ATOM 0 HG3 ARG A 69 -1.289 0.923 -4.579 1.00 74.11 H new ATOM 0 HD2 ARG A 69 0.781 0.543 -5.919 1.00 25.34 H new ATOM 0 HD3 ARG A 69 0.345 -1.145 -6.096 1.00 25.34 H new ATOM 0 HE ARG A 69 -1.889 0.094 -7.074 1.00 2.22 H new ATOM 0 HH11 ARG A 69 1.560 0.573 -7.639 1.00 51.12 H new ATOM 0 HH12 ARG A 69 1.336 1.095 -9.312 1.00 51.12 H new ATOM 0 HH21 ARG A 69 -2.175 0.764 -9.227 1.00 11.43 H new ATOM 0 HH22 ARG A 69 -0.773 1.202 -10.209 1.00 11.43 H new ATOM 1061 N VAL A 70 -0.457 1.720 -1.064 1.00 21.54 N ATOM 1062 CA VAL A 70 -0.821 3.074 -0.676 1.00 11.22 C ATOM 1063 C VAL A 70 0.066 4.086 -1.384 1.00 52.24 C ATOM 1064 O VAL A 70 1.280 4.092 -1.197 1.00 61.41 O ATOM 1065 CB VAL A 70 -0.707 3.284 0.851 1.00 51.12 C ATOM 1066 CG1 VAL A 70 -1.088 4.706 1.229 1.00 24.04 C ATOM 1067 CG2 VAL A 70 -1.584 2.290 1.601 1.00 23.43 C ATOM 0 H VAL A 70 0.445 1.404 -0.707 1.00 21.54 H new ATOM 0 HA VAL A 70 -1.860 3.222 -0.969 1.00 11.22 H new ATOM 0 HB VAL A 70 0.331 3.114 1.136 1.00 51.12 H new ATOM 0 HG11 VAL A 70 -1.001 4.831 2.308 1.00 24.04 H new ATOM 0 HG12 VAL A 70 -0.421 5.407 0.727 1.00 24.04 H new ATOM 0 HG13 VAL A 70 -2.116 4.901 0.923 1.00 24.04 H new ATOM 0 HG21 VAL A 70 -1.487 2.457 2.674 1.00 23.43 H new ATOM 0 HG22 VAL A 70 -2.624 2.427 1.305 1.00 23.43 H new ATOM 0 HG23 VAL A 70 -1.269 1.274 1.362 1.00 23.43 H new ATOM 1077 N LEU A 71 -0.541 4.919 -2.215 1.00 65.21 N ATOM 1078 CA LEU A 71 0.178 6.002 -2.866 1.00 60.42 C ATOM 1079 C LEU A 71 -0.142 7.316 -2.170 1.00 41.14 C ATOM 1080 O LEU A 71 -1.293 7.571 -1.808 1.00 43.43 O ATOM 1081 CB LEU A 71 -0.176 6.095 -4.357 1.00 14.53 C ATOM 1082 CG LEU A 71 0.449 5.026 -5.265 1.00 53.24 C ATOM 1083 CD1 LEU A 71 -0.140 3.650 -4.981 1.00 23.34 C ATOM 1084 CD2 LEU A 71 0.256 5.398 -6.728 1.00 11.15 C ATOM 0 H LEU A 71 -1.531 4.865 -2.454 1.00 65.21 H new ATOM 0 HA LEU A 71 1.246 5.797 -2.791 1.00 60.42 H new ATOM 0 HB2 LEU A 71 -1.260 6.040 -4.457 1.00 14.53 H new ATOM 0 HB3 LEU A 71 0.128 7.076 -4.722 1.00 14.53 H new ATOM 0 HG LEU A 71 1.517 4.983 -5.052 1.00 53.24 H new ATOM 0 HD11 LEU A 71 0.322 2.914 -5.639 1.00 23.34 H new ATOM 0 HD12 LEU A 71 0.052 3.379 -3.943 1.00 23.34 H new ATOM 0 HD13 LEU A 71 -1.215 3.671 -5.158 1.00 23.34 H new ATOM 0 HD21 LEU A 71 0.704 4.632 -7.360 1.00 11.15 H new ATOM 0 HD22 LEU A 71 -0.809 5.472 -6.947 1.00 11.15 H new ATOM 0 HD23 LEU A 71 0.735 6.357 -6.926 1.00 11.15 H new ATOM 1096 N VAL A 72 0.877 8.132 -1.966 1.00 44.02 N ATOM 1097 CA VAL A 72 0.705 9.417 -1.307 1.00 65.34 C ATOM 1098 C VAL A 72 1.012 10.549 -2.264 1.00 62.11 C ATOM 1099 O VAL A 72 1.406 10.320 -3.410 1.00 34.14 O ATOM 1100 CB VAL A 72 1.611 9.562 -0.062 1.00 52.05 C ATOM 1101 CG1 VAL A 72 1.191 8.582 1.021 1.00 11.44 C ATOM 1102 CG2 VAL A 72 3.075 9.354 -0.431 1.00 42.54 C ATOM 0 H VAL A 72 1.836 7.928 -2.248 1.00 44.02 H new ATOM 0 HA VAL A 72 -0.335 9.465 -0.985 1.00 65.34 H new ATOM 0 HB VAL A 72 1.497 10.575 0.325 1.00 52.05 H new ATOM 0 HG11 VAL A 72 1.840 8.699 1.889 1.00 11.44 H new ATOM 0 HG12 VAL A 72 0.159 8.780 1.310 1.00 11.44 H new ATOM 0 HG13 VAL A 72 1.273 7.563 0.642 1.00 11.44 H new ATOM 0 HG21 VAL A 72 3.694 9.461 0.460 1.00 42.54 H new ATOM 0 HG22 VAL A 72 3.207 8.355 -0.847 1.00 42.54 H new ATOM 0 HG23 VAL A 72 3.373 10.097 -1.171 1.00 42.54 H new ATOM 1112 N HIS A 73 0.826 11.768 -1.788 1.00 34.33 N ATOM 1113 CA HIS A 73 1.158 12.945 -2.566 1.00 10.10 C ATOM 1114 C HIS A 73 2.667 13.059 -2.695 1.00 21.33 C ATOM 1115 O HIS A 73 3.382 12.986 -1.699 1.00 25.44 O ATOM 1116 CB HIS A 73 0.591 14.212 -1.916 1.00 23.04 C ATOM 1117 CG HIS A 73 -0.905 14.285 -1.938 1.00 45.15 C ATOM 1118 ND1 HIS A 73 -1.614 14.815 -2.994 1.00 31.02 N ATOM 1119 CD2 HIS A 73 -1.829 13.886 -1.031 1.00 51.14 C ATOM 1120 CE1 HIS A 73 -2.908 14.741 -2.734 1.00 43.33 C ATOM 1121 NE2 HIS A 73 -3.064 14.181 -1.552 1.00 75.32 N ATOM 0 H HIS A 73 0.445 11.967 -0.863 1.00 34.33 H new ATOM 0 HA HIS A 73 0.712 12.844 -3.556 1.00 10.10 H new ATOM 0 HB2 HIS A 73 0.933 14.263 -0.882 1.00 23.04 H new ATOM 0 HB3 HIS A 73 0.996 15.085 -2.429 1.00 23.04 H new ATOM 0 HD2 HIS A 73 -1.631 13.422 -0.076 1.00 51.14 H new ATOM 0 HE1 HIS A 73 -3.703 15.082 -3.381 1.00 43.33 H new ATOM 0 HE2 HIS A 73 -3.958 13.996 -1.097 1.00 75.32 H new ATOM 1130 N GLU A 74 3.144 13.231 -3.921 1.00 64.05 N ATOM 1131 CA GLU A 74 4.577 13.339 -4.186 1.00 54.43 C ATOM 1132 C GLU A 74 5.190 14.481 -3.409 1.00 3.15 C ATOM 1133 O GLU A 74 6.318 14.387 -2.929 1.00 3.23 O ATOM 1134 CB GLU A 74 4.841 13.538 -5.676 1.00 63.35 C ATOM 1135 CG GLU A 74 3.909 14.534 -6.348 1.00 41.31 C ATOM 1136 CD GLU A 74 4.141 14.633 -7.839 1.00 33.14 C ATOM 1137 OE1 GLU A 74 3.673 13.742 -8.575 1.00 4.51 O ATOM 1138 OE2 GLU A 74 4.790 15.603 -8.280 1.00 22.52 O ATOM 0 H GLU A 74 2.558 13.299 -4.753 1.00 64.05 H new ATOM 0 HA GLU A 74 5.039 12.406 -3.863 1.00 54.43 H new ATOM 0 HB2 GLU A 74 5.870 13.873 -5.809 1.00 63.35 H new ATOM 0 HB3 GLU A 74 4.751 12.576 -6.181 1.00 63.35 H new ATOM 0 HG2 GLU A 74 2.876 14.240 -6.164 1.00 41.31 H new ATOM 0 HG3 GLU A 74 4.047 15.517 -5.897 1.00 41.31 H new ATOM 1145 N ASP A 75 4.431 15.550 -3.268 1.00 63.13 N ATOM 1146 CA ASP A 75 4.930 16.740 -2.615 1.00 20.41 C ATOM 1147 C ASP A 75 5.021 16.514 -1.110 1.00 62.42 C ATOM 1148 O ASP A 75 5.700 17.248 -0.396 1.00 55.03 O ATOM 1149 CB ASP A 75 4.021 17.943 -2.883 1.00 63.41 C ATOM 1150 CG ASP A 75 3.459 17.966 -4.285 1.00 24.40 C ATOM 1151 OD1 ASP A 75 4.108 18.532 -5.187 1.00 2.02 O ATOM 1152 OD2 ASP A 75 2.350 17.429 -4.483 1.00 2.20 O ATOM 0 H ASP A 75 3.468 15.617 -3.597 1.00 63.13 H new ATOM 0 HA ASP A 75 5.920 16.949 -3.021 1.00 20.41 H new ATOM 0 HB2 ASP A 75 3.198 17.934 -2.169 1.00 63.41 H new ATOM 0 HB3 ASP A 75 4.583 18.860 -2.709 1.00 63.41 H new ATOM 1157 N ASP A 76 4.336 15.481 -0.635 1.00 40.43 N ATOM 1158 CA ASP A 76 4.262 15.200 0.791 1.00 62.24 C ATOM 1159 C ASP A 76 5.020 13.926 1.111 1.00 61.32 C ATOM 1160 O ASP A 76 4.768 13.275 2.122 1.00 23.40 O ATOM 1161 CB ASP A 76 2.807 15.056 1.239 1.00 71.54 C ATOM 1162 CG ASP A 76 2.648 15.308 2.725 1.00 63.32 C ATOM 1163 OD1 ASP A 76 2.771 16.481 3.145 1.00 30.24 O ATOM 1164 OD2 ASP A 76 2.402 14.349 3.478 1.00 32.11 O ATOM 0 H ASP A 76 3.822 14.822 -1.220 1.00 40.43 H new ATOM 0 HA ASP A 76 4.713 16.035 1.327 1.00 62.24 H new ATOM 0 HB2 ASP A 76 2.184 15.757 0.683 1.00 71.54 H new ATOM 0 HB3 ASP A 76 2.451 14.054 1.000 1.00 71.54 H new ATOM 1169 N LEU A 77 5.965 13.586 0.247 1.00 41.42 N ATOM 1170 CA LEU A 77 6.751 12.372 0.406 1.00 43.41 C ATOM 1171 C LEU A 77 7.343 12.293 1.808 1.00 62.33 C ATOM 1172 O LEU A 77 7.185 11.291 2.500 1.00 54.21 O ATOM 1173 CB LEU A 77 7.874 12.333 -0.630 1.00 71.10 C ATOM 1174 CG LEU A 77 8.096 10.975 -1.296 1.00 24.04 C ATOM 1175 CD1 LEU A 77 8.409 9.899 -0.270 1.00 3.41 C ATOM 1176 CD2 LEU A 77 6.876 10.590 -2.113 1.00 35.02 C ATOM 0 H LEU A 77 6.207 14.138 -0.576 1.00 41.42 H new ATOM 0 HA LEU A 77 6.092 11.517 0.256 1.00 43.41 H new ATOM 0 HB2 LEU A 77 7.658 13.069 -1.405 1.00 71.10 H new ATOM 0 HB3 LEU A 77 8.802 12.640 -0.148 1.00 71.10 H new ATOM 0 HG LEU A 77 8.957 11.060 -1.959 1.00 24.04 H new ATOM 0 HD11 LEU A 77 8.561 8.946 -0.777 1.00 3.41 H new ATOM 0 HD12 LEU A 77 9.313 10.168 0.275 1.00 3.41 H new ATOM 0 HD13 LEU A 77 7.577 9.809 0.429 1.00 3.41 H new ATOM 0 HD21 LEU A 77 7.044 9.621 -2.583 1.00 35.02 H new ATOM 0 HD22 LEU A 77 6.005 10.530 -1.460 1.00 35.02 H new ATOM 0 HD23 LEU A 77 6.702 11.342 -2.883 1.00 35.02 H new ATOM 1188 N ALA A 78 7.999 13.370 2.225 1.00 63.32 N ATOM 1189 CA ALA A 78 8.663 13.412 3.520 1.00 64.32 C ATOM 1190 C ALA A 78 7.657 13.417 4.668 1.00 4.11 C ATOM 1191 O ALA A 78 7.948 12.924 5.756 1.00 15.22 O ATOM 1192 CB ALA A 78 9.569 14.632 3.608 1.00 34.02 C ATOM 0 H ALA A 78 8.085 14.229 1.681 1.00 63.32 H new ATOM 0 HA ALA A 78 9.268 12.510 3.613 1.00 64.32 H new ATOM 0 HB1 ALA A 78 10.059 14.652 4.581 1.00 34.02 H new ATOM 0 HB2 ALA A 78 10.323 14.583 2.823 1.00 34.02 H new ATOM 0 HB3 ALA A 78 8.974 15.537 3.483 1.00 34.02 H new ATOM 1198 N GLY A 79 6.470 13.952 4.412 1.00 71.41 N ATOM 1199 CA GLY A 79 5.474 14.086 5.462 1.00 14.24 C ATOM 1200 C GLY A 79 4.845 12.759 5.842 1.00 11.33 C ATOM 1201 O GLY A 79 4.905 12.343 7.004 1.00 62.21 O ATOM 0 H GLY A 79 6.178 14.296 3.497 1.00 71.41 H new ATOM 0 HA2 GLY A 79 5.938 14.530 6.343 1.00 14.24 H new ATOM 0 HA3 GLY A 79 4.694 14.772 5.132 1.00 14.24 H new ATOM 1205 N ALA A 80 4.259 12.087 4.859 1.00 72.13 N ATOM 1206 CA ALA A 80 3.563 10.825 5.093 1.00 73.12 C ATOM 1207 C ALA A 80 4.495 9.758 5.662 1.00 64.22 C ATOM 1208 O ALA A 80 4.128 9.035 6.592 1.00 53.53 O ATOM 1209 CB ALA A 80 2.919 10.331 3.804 1.00 12.21 C ATOM 0 H ALA A 80 4.251 12.396 3.887 1.00 72.13 H new ATOM 0 HA ALA A 80 2.786 11.011 5.834 1.00 73.12 H new ATOM 0 HB1 ALA A 80 2.403 9.389 3.993 1.00 12.21 H new ATOM 0 HB2 ALA A 80 2.203 11.072 3.448 1.00 12.21 H new ATOM 0 HB3 ALA A 80 3.689 10.178 3.048 1.00 12.21 H new ATOM 1215 N ARG A 81 5.707 9.663 5.117 1.00 51.13 N ATOM 1216 CA ARG A 81 6.654 8.646 5.565 1.00 1.44 C ATOM 1217 C ARG A 81 7.106 8.916 6.995 1.00 63.13 C ATOM 1218 O ARG A 81 7.341 7.982 7.760 1.00 62.13 O ATOM 1219 CB ARG A 81 7.864 8.553 4.629 1.00 72.33 C ATOM 1220 CG ARG A 81 8.680 9.828 4.534 1.00 45.34 C ATOM 1221 CD ARG A 81 9.777 9.708 3.490 1.00 64.02 C ATOM 1222 NE ARG A 81 10.906 8.907 3.962 1.00 4.42 N ATOM 1223 CZ ARG A 81 11.789 8.317 3.160 1.00 64.10 C ATOM 1224 NH1 ARG A 81 11.608 8.330 1.842 1.00 10.23 N ATOM 1225 NH2 ARG A 81 12.844 7.703 3.673 1.00 43.04 N ATOM 0 H ARG A 81 6.052 10.270 4.374 1.00 51.13 H new ATOM 0 HA ARG A 81 6.138 7.686 5.540 1.00 1.44 H new ATOM 0 HB2 ARG A 81 8.512 7.746 4.971 1.00 72.33 H new ATOM 0 HB3 ARG A 81 7.517 8.283 3.632 1.00 72.33 H new ATOM 0 HG2 ARG A 81 8.026 10.663 4.282 1.00 45.34 H new ATOM 0 HG3 ARG A 81 9.122 10.052 5.505 1.00 45.34 H new ATOM 0 HD2 ARG A 81 9.368 9.258 2.586 1.00 64.02 H new ATOM 0 HD3 ARG A 81 10.129 10.704 3.219 1.00 64.02 H new ATOM 0 HE ARG A 81 11.024 8.793 4.969 1.00 4.42 H new ATOM 0 HH11 ARG A 81 10.791 8.793 1.444 1.00 10.23 H new ATOM 0 HH12 ARG A 81 12.286 7.877 1.230 1.00 10.23 H new ATOM 0 HH21 ARG A 81 12.980 7.682 4.684 1.00 43.04 H new ATOM 0 HH22 ARG A 81 13.520 7.251 3.058 1.00 43.04 H new ATOM 1239 N ARG A 82 7.199 10.195 7.361 1.00 2.01 N ATOM 1240 CA ARG A 82 7.596 10.572 8.715 1.00 41.31 C ATOM 1241 C ARG A 82 6.567 10.062 9.717 1.00 32.42 C ATOM 1242 O ARG A 82 6.917 9.533 10.772 1.00 30.11 O ATOM 1243 CB ARG A 82 7.726 12.093 8.848 1.00 3.33 C ATOM 1244 CG ARG A 82 8.296 12.539 10.187 1.00 43.43 C ATOM 1245 CD ARG A 82 8.256 14.051 10.341 1.00 42.32 C ATOM 1246 NE ARG A 82 8.991 14.497 11.525 1.00 44.21 N ATOM 1247 CZ ARG A 82 8.773 15.648 12.157 1.00 51.41 C ATOM 1248 NH1 ARG A 82 7.769 16.434 11.789 1.00 11.35 N ATOM 1249 NH2 ARG A 82 9.547 15.991 13.177 1.00 73.53 N ATOM 0 H ARG A 82 7.006 10.982 6.742 1.00 2.01 H new ATOM 0 HA ARG A 82 8.567 10.122 8.921 1.00 41.31 H new ATOM 0 HB2 ARG A 82 8.365 12.466 8.048 1.00 3.33 H new ATOM 0 HB3 ARG A 82 6.745 12.547 8.711 1.00 3.33 H new ATOM 0 HG2 ARG A 82 7.730 12.076 10.995 1.00 43.43 H new ATOM 0 HG3 ARG A 82 9.325 12.191 10.278 1.00 43.43 H new ATOM 0 HD2 ARG A 82 8.681 14.518 9.452 1.00 42.32 H new ATOM 0 HD3 ARG A 82 7.220 14.382 10.411 1.00 42.32 H new ATOM 0 HE ARG A 82 9.720 13.884 11.891 1.00 44.21 H new ATOM 0 HH11 ARG A 82 7.160 16.157 11.019 1.00 11.35 H new ATOM 0 HH12 ARG A 82 7.606 17.315 12.276 1.00 11.35 H new ATOM 0 HH21 ARG A 82 10.304 15.374 13.473 1.00 73.53 H new ATOM 0 HH22 ARG A 82 9.386 16.872 13.666 1.00 73.53 H new ATOM 1263 N LEU A 83 5.297 10.209 9.360 1.00 15.44 N ATOM 1264 CA LEU A 83 4.191 9.761 10.195 1.00 43.34 C ATOM 1265 C LEU A 83 4.300 8.260 10.466 1.00 44.23 C ATOM 1266 O LEU A 83 4.183 7.807 11.605 1.00 23.31 O ATOM 1267 CB LEU A 83 2.869 10.078 9.493 1.00 70.24 C ATOM 1268 CG LEU A 83 1.610 9.836 10.323 1.00 45.44 C ATOM 1269 CD1 LEU A 83 1.572 10.770 11.523 1.00 40.41 C ATOM 1270 CD2 LEU A 83 0.370 10.018 9.466 1.00 0.30 C ATOM 0 H LEU A 83 5.006 10.642 8.484 1.00 15.44 H new ATOM 0 HA LEU A 83 4.228 10.283 11.151 1.00 43.34 H new ATOM 0 HB2 LEU A 83 2.884 11.123 9.183 1.00 70.24 H new ATOM 0 HB3 LEU A 83 2.806 9.477 8.586 1.00 70.24 H new ATOM 0 HG LEU A 83 1.630 8.810 10.690 1.00 45.44 H new ATOM 0 HD11 LEU A 83 0.668 10.582 12.102 1.00 40.41 H new ATOM 0 HD12 LEU A 83 2.447 10.594 12.149 1.00 40.41 H new ATOM 0 HD13 LEU A 83 1.574 11.804 11.179 1.00 40.41 H new ATOM 0 HD21 LEU A 83 -0.519 9.842 10.071 1.00 0.30 H new ATOM 0 HD22 LEU A 83 0.346 11.034 9.072 1.00 0.30 H new ATOM 0 HD23 LEU A 83 0.392 9.308 8.639 1.00 0.30 H new ATOM 1282 N LEU A 84 4.549 7.501 9.410 1.00 33.11 N ATOM 1283 CA LEU A 84 4.689 6.053 9.520 1.00 31.34 C ATOM 1284 C LEU A 84 5.960 5.676 10.282 1.00 13.45 C ATOM 1285 O LEU A 84 5.997 4.665 10.990 1.00 54.31 O ATOM 1286 CB LEU A 84 4.700 5.416 8.128 1.00 2.33 C ATOM 1287 CG LEU A 84 3.461 5.696 7.273 1.00 64.31 C ATOM 1288 CD1 LEU A 84 3.589 5.032 5.913 1.00 5.41 C ATOM 1289 CD2 LEU A 84 2.205 5.219 7.985 1.00 40.24 C ATOM 0 H LEU A 84 4.659 7.863 8.463 1.00 33.11 H new ATOM 0 HA LEU A 84 3.834 5.673 10.080 1.00 31.34 H new ATOM 0 HB2 LEU A 84 5.580 5.770 7.591 1.00 2.33 H new ATOM 0 HB3 LEU A 84 4.808 4.337 8.240 1.00 2.33 H new ATOM 0 HG LEU A 84 3.383 6.773 7.122 1.00 64.31 H new ATOM 0 HD11 LEU A 84 2.699 5.242 5.320 1.00 5.41 H new ATOM 0 HD12 LEU A 84 4.468 5.422 5.399 1.00 5.41 H new ATOM 0 HD13 LEU A 84 3.692 3.955 6.042 1.00 5.41 H new ATOM 0 HD21 LEU A 84 1.334 5.426 7.364 1.00 40.24 H new ATOM 0 HD22 LEU A 84 2.275 4.147 8.167 1.00 40.24 H new ATOM 0 HD23 LEU A 84 2.105 5.742 8.936 1.00 40.24 H new ATOM 1301 N THR A 85 6.996 6.494 10.139 1.00 23.55 N ATOM 1302 CA THR A 85 8.260 6.256 10.823 1.00 32.13 C ATOM 1303 C THR A 85 8.112 6.500 12.323 1.00 41.23 C ATOM 1304 O THR A 85 8.689 5.783 13.142 1.00 3.25 O ATOM 1305 CB THR A 85 9.377 7.158 10.255 1.00 52.14 C ATOM 1306 OG1 THR A 85 9.487 6.964 8.841 1.00 21.03 O ATOM 1307 CG2 THR A 85 10.719 6.857 10.910 1.00 61.04 C ATOM 0 H THR A 85 6.985 7.330 9.554 1.00 23.55 H new ATOM 0 HA THR A 85 8.537 5.215 10.657 1.00 32.13 H new ATOM 0 HB THR A 85 9.112 8.193 10.469 1.00 52.14 H new ATOM 0 HG1 THR A 85 8.772 7.456 8.387 1.00 21.03 H new ATOM 0 HG21 THR A 85 11.484 7.509 10.488 1.00 61.04 H new ATOM 0 HG22 THR A 85 10.647 7.030 11.984 1.00 61.04 H new ATOM 0 HG23 THR A 85 10.988 5.817 10.727 1.00 61.04 H new ATOM 1315 N ASP A 86 7.316 7.502 12.674 1.00 64.02 N ATOM 1316 CA ASP A 86 7.057 7.825 14.072 1.00 13.11 C ATOM 1317 C ASP A 86 6.223 6.731 14.725 1.00 10.14 C ATOM 1318 O ASP A 86 6.462 6.347 15.872 1.00 22.14 O ATOM 1319 CB ASP A 86 6.331 9.169 14.174 1.00 61.52 C ATOM 1320 CG ASP A 86 6.073 9.589 15.608 1.00 2.40 C ATOM 1321 OD1 ASP A 86 6.985 10.166 16.238 1.00 60.55 O ATOM 1322 OD2 ASP A 86 4.956 9.357 16.113 1.00 21.41 O ATOM 0 H ASP A 86 6.837 8.107 12.007 1.00 64.02 H new ATOM 0 HA ASP A 86 8.011 7.895 14.595 1.00 13.11 H new ATOM 0 HB2 ASP A 86 6.924 9.936 13.676 1.00 61.52 H new ATOM 0 HB3 ASP A 86 5.382 9.105 13.642 1.00 61.52 H new ATOM 1327 N ALA A 87 5.239 6.228 13.981 1.00 64.41 N ATOM 1328 CA ALA A 87 4.400 5.131 14.453 1.00 53.44 C ATOM 1329 C ALA A 87 5.206 3.836 14.575 1.00 73.20 C ATOM 1330 O ALA A 87 4.905 2.981 15.409 1.00 51.20 O ATOM 1331 CB ALA A 87 3.210 4.931 13.524 1.00 2.24 C ATOM 0 H ALA A 87 5.004 6.565 13.047 1.00 64.41 H new ATOM 0 HA ALA A 87 4.028 5.393 15.444 1.00 53.44 H new ATOM 0 HB1 ALA A 87 2.596 4.109 13.892 1.00 2.24 H new ATOM 0 HB2 ALA A 87 2.615 5.844 13.494 1.00 2.24 H new ATOM 0 HB3 ALA A 87 3.567 4.697 12.521 1.00 2.24 H new ATOM 1337 N GLY A 88 6.221 3.696 13.730 1.00 31.50 N ATOM 1338 CA GLY A 88 7.098 2.542 13.796 1.00 30.22 C ATOM 1339 C GLY A 88 6.763 1.496 12.759 1.00 73.32 C ATOM 1340 O GLY A 88 7.559 0.595 12.499 1.00 23.52 O ATOM 0 H GLY A 88 6.453 4.365 12.996 1.00 31.50 H new ATOM 0 HA2 GLY A 88 8.130 2.866 13.659 1.00 30.22 H new ATOM 0 HA3 GLY A 88 7.033 2.097 14.789 1.00 30.22 H new ATOM 1344 N LEU A 89 5.591 1.625 12.149 1.00 4.22 N ATOM 1345 CA LEU A 89 5.120 0.646 11.177 1.00 11.00 C ATOM 1346 C LEU A 89 5.771 0.833 9.809 1.00 5.14 C ATOM 1347 O LEU A 89 5.463 0.106 8.863 1.00 12.14 O ATOM 1348 CB LEU A 89 3.599 0.711 11.050 1.00 44.04 C ATOM 1349 CG LEU A 89 2.829 0.102 12.224 1.00 44.11 C ATOM 1350 CD1 LEU A 89 1.338 0.351 12.069 1.00 63.53 C ATOM 1351 CD2 LEU A 89 3.110 -1.392 12.312 1.00 14.20 C ATOM 0 H LEU A 89 4.948 2.400 12.311 1.00 4.22 H new ATOM 0 HA LEU A 89 5.410 -0.338 11.545 1.00 11.00 H new ATOM 0 HB2 LEU A 89 3.302 1.754 10.941 1.00 44.04 H new ATOM 0 HB3 LEU A 89 3.303 0.198 10.135 1.00 44.04 H new ATOM 0 HG LEU A 89 3.163 0.578 13.146 1.00 44.11 H new ATOM 0 HD11 LEU A 89 0.806 -0.089 12.913 1.00 63.53 H new ATOM 0 HD12 LEU A 89 1.149 1.424 12.041 1.00 63.53 H new ATOM 0 HD13 LEU A 89 0.988 -0.103 11.142 1.00 63.53 H new ATOM 0 HD21 LEU A 89 2.558 -1.817 13.150 1.00 14.20 H new ATOM 0 HD22 LEU A 89 2.796 -1.876 11.387 1.00 14.20 H new ATOM 0 HD23 LEU A 89 4.178 -1.553 12.461 1.00 14.20 H new ATOM 1363 N ALA A 90 6.672 1.798 9.705 1.00 51.33 N ATOM 1364 CA ALA A 90 7.420 2.005 8.479 1.00 3.32 C ATOM 1365 C ALA A 90 8.500 0.938 8.346 1.00 12.52 C ATOM 1366 O ALA A 90 9.606 1.086 8.865 1.00 54.55 O ATOM 1367 CB ALA A 90 8.032 3.398 8.455 1.00 62.12 C ATOM 0 H ALA A 90 6.901 2.449 10.456 1.00 51.33 H new ATOM 0 HA ALA A 90 6.740 1.922 7.631 1.00 3.32 H new ATOM 0 HB1 ALA A 90 8.589 3.535 7.528 1.00 62.12 H new ATOM 0 HB2 ALA A 90 7.240 4.144 8.516 1.00 62.12 H new ATOM 0 HB3 ALA A 90 8.706 3.514 9.304 1.00 62.12 H new ATOM 1373 N HIS A 91 8.154 -0.155 7.688 1.00 44.04 N ATOM 1374 CA HIS A 91 9.083 -1.259 7.482 1.00 1.30 C ATOM 1375 C HIS A 91 8.914 -1.828 6.076 1.00 33.14 C ATOM 1376 O HIS A 91 9.894 -2.142 5.398 1.00 32.21 O ATOM 1377 CB HIS A 91 8.839 -2.344 8.543 1.00 65.25 C ATOM 1378 CG HIS A 91 9.717 -3.550 8.414 1.00 22.14 C ATOM 1379 ND1 HIS A 91 9.256 -4.765 7.960 1.00 75.13 N ATOM 1380 CD2 HIS A 91 11.025 -3.732 8.702 1.00 61.33 C ATOM 1381 CE1 HIS A 91 10.238 -5.644 7.976 1.00 24.23 C ATOM 1382 NE2 HIS A 91 11.326 -5.043 8.423 1.00 65.11 N ATOM 0 H HIS A 91 7.230 -0.304 7.283 1.00 44.04 H new ATOM 0 HA HIS A 91 10.106 -0.897 7.583 1.00 1.30 H new ATOM 0 HB2 HIS A 91 8.986 -1.907 9.531 1.00 65.25 H new ATOM 0 HB3 HIS A 91 7.798 -2.661 8.487 1.00 65.25 H new ATOM 0 HD1 HIS A 91 8.301 -4.956 7.658 1.00 75.13 H new ATOM 0 HD2 HIS A 91 11.707 -2.985 9.081 1.00 61.33 H new ATOM 0 HE1 HIS A 91 10.165 -6.679 7.675 1.00 24.23 H new ATOM 1391 N GLU A 92 7.665 -1.927 5.644 1.00 45.42 N ATOM 1392 CA GLU A 92 7.326 -2.484 4.337 1.00 34.24 C ATOM 1393 C GLU A 92 7.356 -1.409 3.243 1.00 2.34 C ATOM 1394 O GLU A 92 6.637 -1.516 2.249 1.00 25.34 O ATOM 1395 CB GLU A 92 5.928 -3.121 4.383 1.00 5.21 C ATOM 1396 CG GLU A 92 5.822 -4.383 5.237 1.00 62.23 C ATOM 1397 CD GLU A 92 6.120 -4.151 6.704 1.00 71.34 C ATOM 1398 OE1 GLU A 92 5.737 -3.089 7.237 1.00 31.11 O ATOM 1399 OE2 GLU A 92 6.762 -5.022 7.326 1.00 51.21 O ATOM 0 H GLU A 92 6.857 -1.624 6.187 1.00 45.42 H new ATOM 0 HA GLU A 92 8.072 -3.241 4.097 1.00 34.24 H new ATOM 0 HB2 GLU A 92 5.221 -2.383 4.762 1.00 5.21 H new ATOM 0 HB3 GLU A 92 5.621 -3.362 3.365 1.00 5.21 H new ATOM 0 HG2 GLU A 92 4.817 -4.794 5.140 1.00 62.23 H new ATOM 0 HG3 GLU A 92 6.512 -5.133 4.849 1.00 62.23 H new ATOM 1406 N LEU A 93 8.202 -0.389 3.415 1.00 2.41 N ATOM 1407 CA LEU A 93 8.284 0.708 2.442 1.00 42.32 C ATOM 1408 C LEU A 93 8.747 0.186 1.088 1.00 60.51 C ATOM 1409 O LEU A 93 9.567 -0.731 1.014 1.00 13.52 O ATOM 1410 CB LEU A 93 9.249 1.813 2.895 1.00 42.41 C ATOM 1411 CG LEU A 93 8.990 2.400 4.278 1.00 70.14 C ATOM 1412 CD1 LEU A 93 9.802 1.662 5.330 1.00 0.11 C ATOM 1413 CD2 LEU A 93 9.313 3.886 4.293 1.00 15.11 C ATOM 0 H LEU A 93 8.835 -0.298 4.210 1.00 2.41 H new ATOM 0 HA LEU A 93 7.282 1.131 2.364 1.00 42.32 H new ATOM 0 HB2 LEU A 93 10.263 1.413 2.876 1.00 42.41 H new ATOM 0 HB3 LEU A 93 9.212 2.622 2.166 1.00 42.41 H new ATOM 0 HG LEU A 93 7.933 2.277 4.515 1.00 70.14 H new ATOM 0 HD11 LEU A 93 9.605 2.094 6.311 1.00 0.11 H new ATOM 0 HD12 LEU A 93 9.521 0.609 5.334 1.00 0.11 H new ATOM 0 HD13 LEU A 93 10.864 1.753 5.100 1.00 0.11 H new ATOM 0 HD21 LEU A 93 9.123 4.290 5.287 1.00 15.11 H new ATOM 0 HD22 LEU A 93 10.362 4.033 4.036 1.00 15.11 H new ATOM 0 HD23 LEU A 93 8.686 4.402 3.566 1.00 15.11 H new ATOM 1425 N ARG A 94 8.231 0.771 0.020 1.00 63.54 N ATOM 1426 CA ARG A 94 8.593 0.356 -1.321 1.00 71.45 C ATOM 1427 C ARG A 94 8.998 1.575 -2.146 1.00 41.22 C ATOM 1428 O ARG A 94 8.897 2.709 -1.677 1.00 51.41 O ATOM 1429 CB ARG A 94 7.420 -0.375 -1.980 1.00 62.11 C ATOM 1430 CG ARG A 94 7.852 -1.498 -2.909 1.00 15.42 C ATOM 1431 CD ARG A 94 8.574 -2.593 -2.135 1.00 1.22 C ATOM 1432 NE ARG A 94 9.141 -3.617 -3.009 1.00 44.50 N ATOM 1433 CZ ARG A 94 9.164 -4.917 -2.711 1.00 5.35 C ATOM 1434 NH1 ARG A 94 8.638 -5.349 -1.571 1.00 12.42 N ATOM 1435 NH2 ARG A 94 9.725 -5.783 -3.546 1.00 0.44 N ATOM 0 H ARG A 94 7.558 1.537 0.058 1.00 63.54 H new ATOM 0 HA ARG A 94 9.439 -0.329 -1.269 1.00 71.45 H new ATOM 0 HB2 ARG A 94 6.774 -0.785 -1.203 1.00 62.11 H new ATOM 0 HB3 ARG A 94 6.824 0.343 -2.543 1.00 62.11 H new ATOM 0 HG2 ARG A 94 6.980 -1.916 -3.411 1.00 15.42 H new ATOM 0 HG3 ARG A 94 8.507 -1.102 -3.685 1.00 15.42 H new ATOM 0 HD2 ARG A 94 9.371 -2.147 -1.539 1.00 1.22 H new ATOM 0 HD3 ARG A 94 7.878 -3.060 -1.438 1.00 1.22 H new ATOM 0 HE ARG A 94 9.543 -3.321 -3.899 1.00 44.50 H new ATOM 0 HH11 ARG A 94 8.215 -4.686 -0.921 1.00 12.42 H new ATOM 0 HH12 ARG A 94 8.657 -6.344 -1.345 1.00 12.42 H new ATOM 0 HH21 ARG A 94 10.140 -5.455 -4.418 1.00 0.44 H new ATOM 0 HH22 ARG A 94 9.741 -6.776 -3.316 1.00 0.44 H new ATOM 1449 N SER A 95 9.489 1.345 -3.353 1.00 42.31 N ATOM 1450 CA SER A 95 9.850 2.427 -4.257 1.00 54.11 C ATOM 1451 C SER A 95 9.645 1.995 -5.702 1.00 34.22 C ATOM 1452 O SER A 95 10.219 1.004 -6.152 1.00 60.12 O ATOM 1453 CB SER A 95 11.300 2.853 -4.020 1.00 62.10 C ATOM 1454 OG SER A 95 11.475 3.318 -2.688 1.00 32.12 O ATOM 0 H SER A 95 9.648 0.412 -3.732 1.00 42.31 H new ATOM 0 HA SER A 95 9.204 3.283 -4.059 1.00 54.11 H new ATOM 0 HB2 SER A 95 11.967 2.011 -4.207 1.00 62.10 H new ATOM 0 HB3 SER A 95 11.573 3.639 -4.724 1.00 62.10 H new ATOM 0 HG SER A 95 12.409 3.584 -2.555 1.00 32.12 H new ATOM 1460 N ASP A 96 8.808 2.728 -6.421 1.00 73.03 N ATOM 1461 CA ASP A 96 8.475 2.368 -7.791 1.00 45.14 C ATOM 1462 C ASP A 96 9.214 3.250 -8.791 1.00 74.45 C ATOM 1463 O ASP A 96 8.737 4.320 -9.172 1.00 34.44 O ATOM 1464 CB ASP A 96 6.966 2.471 -8.013 1.00 21.43 C ATOM 1465 CG ASP A 96 6.536 1.936 -9.363 1.00 42.40 C ATOM 1466 OD1 ASP A 96 6.284 0.720 -9.467 1.00 1.41 O ATOM 1467 OD2 ASP A 96 6.422 2.730 -10.320 1.00 52.14 O ATOM 0 H ASP A 96 8.349 3.572 -6.080 1.00 73.03 H new ATOM 0 HA ASP A 96 8.791 1.337 -7.953 1.00 45.14 H new ATOM 0 HB2 ASP A 96 6.449 1.920 -7.227 1.00 21.43 H new ATOM 0 HB3 ASP A 96 6.660 3.514 -7.926 1.00 21.43 H new ATOM 1472 N ASP A 97 10.394 2.801 -9.184 1.00 75.43 N ATOM 1473 CA ASP A 97 11.197 3.494 -10.180 1.00 21.21 C ATOM 1474 C ASP A 97 12.270 2.562 -10.722 1.00 15.42 C ATOM 1475 O ASP A 97 12.989 1.941 -9.913 1.00 0.00 O ATOM 1476 CB ASP A 97 11.821 4.787 -9.625 1.00 4.50 C ATOM 1477 CG ASP A 97 12.791 4.571 -8.475 1.00 34.42 C ATOM 1478 OD1 ASP A 97 12.333 4.467 -7.311 1.00 21.00 O ATOM 1479 OD2 ASP A 97 14.016 4.541 -8.719 1.00 55.35 O ATOM 1480 OXT ASP A 97 12.373 2.435 -11.959 1.00 0.00 O ATOM 0 H ASP A 97 10.822 1.948 -8.823 1.00 75.43 H new ATOM 0 HA ASP A 97 10.536 3.789 -10.995 1.00 21.21 H new ATOM 0 HB2 ASP A 97 12.342 5.301 -10.433 1.00 4.50 H new ATOM 0 HB3 ASP A 97 11.021 5.448 -9.291 1.00 4.50 H new TER 1485 ASP A 97