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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.205 (180deg=-0.0226) 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=-0.011) USER MOD Single : A 6 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.033) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 8 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.14) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 11 SER OG : rot -4:sc= 0.165! USER MOD Single : A 12 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.79! C(o=-1.8!,f=-6.6!) USER MOD Single : A 22 HIS : no HE2:sc= 0.44 K(o=0.44,f=-5.5!) USER MOD Single : A 29 THR OG1 : rot 4:sc= 0.585 USER MOD Single : A 30 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.0066) USER MOD Single : A 36 SER OG : rot 75:sc= 0.303 USER MOD Single : A 49 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 54 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.11) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.085) USER MOD Single : A 56 MET CE :methyl -155:sc= -0.0221 (180deg=-1.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -110:sc= 1.12 USER MOD Single : A 73 HIS : no HE2:sc= 0.892 K(o=0.89,f=-2.9!) USER MOD Single : A 85 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 91 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 95 SER OG : rot 13:sc= 0.812 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.899 70.796 7.933 1.00 0.00 N ATOM 2 CA MET A 1 23.810 70.197 8.739 1.00 52.33 C ATOM 3 C MET A 1 22.453 70.566 8.153 1.00 42.04 C ATOM 4 O MET A 1 21.429 70.499 8.834 1.00 24.23 O ATOM 5 CB MET A 1 23.896 70.659 10.205 1.00 74.41 C ATOM 6 CG MET A 1 23.750 72.162 10.406 1.00 4.11 C ATOM 7 SD MET A 1 25.170 73.099 9.795 1.00 25.42 S ATOM 8 CE MET A 1 24.680 74.770 10.223 1.00 15.35 C ATOM 0 H1 MET A 1 25.814 70.416 8.249 1.00 0.00 H new ATOM 0 H2 MET A 1 24.755 70.565 6.929 1.00 0.00 H new ATOM 0 H3 MET A 1 24.893 71.829 8.055 1.00 0.00 H new ATOM 0 HA MET A 1 23.924 69.113 8.712 1.00 52.33 H new ATOM 0 HB2 MET A 1 23.120 70.152 10.778 1.00 74.41 H new ATOM 0 HB3 MET A 1 24.854 70.342 10.616 1.00 74.41 H new ATOM 0 HG2 MET A 1 22.849 72.505 9.897 1.00 4.11 H new ATOM 0 HG3 MET A 1 23.615 72.369 11.468 1.00 4.11 H new ATOM 0 HE1 MET A 1 25.456 75.468 9.909 1.00 15.35 H new ATOM 0 HE2 MET A 1 23.745 75.016 9.719 1.00 15.35 H new ATOM 0 HE3 MET A 1 24.540 74.843 11.302 1.00 15.35 H new ATOM 20 N GLY A 2 22.444 70.954 6.886 1.00 35.01 N ATOM 21 CA GLY A 2 21.202 71.324 6.241 1.00 54.40 C ATOM 22 C GLY A 2 20.898 70.448 5.047 1.00 40.33 C ATOM 23 O GLY A 2 20.473 70.935 3.999 1.00 60.53 O ATOM 0 H GLY A 2 23.273 71.019 6.295 1.00 35.01 H new ATOM 0 HA2 GLY A 2 20.386 71.253 6.960 1.00 54.40 H new ATOM 0 HA3 GLY A 2 21.256 72.365 5.922 1.00 54.40 H new ATOM 27 N SER A 3 21.122 69.157 5.202 1.00 62.25 N ATOM 28 CA SER A 3 20.850 68.203 4.143 1.00 0.35 C ATOM 29 C SER A 3 20.248 66.937 4.732 1.00 33.13 C ATOM 30 O SER A 3 20.965 66.023 5.141 1.00 0.31 O ATOM 31 CB SER A 3 22.130 67.882 3.369 1.00 42.45 C ATOM 32 OG SER A 3 22.708 69.062 2.833 1.00 41.12 O ATOM 0 H SER A 3 21.494 68.743 6.057 1.00 62.25 H new ATOM 0 HA SER A 3 20.135 68.641 3.447 1.00 0.35 H new ATOM 0 HB2 SER A 3 22.845 67.390 4.029 1.00 42.45 H new ATOM 0 HB3 SER A 3 21.907 67.183 2.563 1.00 42.45 H new ATOM 0 HG SER A 3 23.526 68.833 2.344 1.00 41.12 H new ATOM 38 N SER A 4 18.928 66.905 4.801 1.00 73.31 N ATOM 39 CA SER A 4 18.232 65.788 5.409 1.00 62.42 C ATOM 40 C SER A 4 17.148 65.260 4.477 1.00 62.20 C ATOM 41 O SER A 4 16.029 65.781 4.444 1.00 34.52 O ATOM 42 CB SER A 4 17.616 66.221 6.740 1.00 32.35 C ATOM 43 OG SER A 4 18.529 67.003 7.499 1.00 12.01 O ATOM 0 H SER A 4 18.318 67.640 4.443 1.00 73.31 H new ATOM 0 HA SER A 4 18.949 64.988 5.591 1.00 62.42 H new ATOM 0 HB2 SER A 4 16.708 66.795 6.554 1.00 32.35 H new ATOM 0 HB3 SER A 4 17.324 65.340 7.312 1.00 32.35 H new ATOM 0 HG SER A 4 18.109 67.268 8.344 1.00 12.01 H new ATOM 49 N HIS A 5 17.496 64.256 3.688 1.00 71.13 N ATOM 50 CA HIS A 5 16.531 63.608 2.812 1.00 40.52 C ATOM 51 C HIS A 5 16.636 62.095 2.907 1.00 32.43 C ATOM 52 O HIS A 5 17.390 61.461 2.162 1.00 13.51 O ATOM 53 CB HIS A 5 16.702 64.055 1.358 1.00 0.00 C ATOM 54 CG HIS A 5 16.208 65.444 1.096 1.00 23.23 C ATOM 55 ND1 HIS A 5 17.011 66.452 0.613 1.00 32.03 N ATOM 56 CD2 HIS A 5 14.976 65.987 1.245 1.00 43.00 C ATOM 57 CE1 HIS A 5 16.297 67.555 0.479 1.00 42.43 C ATOM 58 NE2 HIS A 5 15.058 67.300 0.855 1.00 64.05 N ATOM 0 H HIS A 5 18.439 63.872 3.636 1.00 71.13 H new ATOM 0 HA HIS A 5 15.539 63.912 3.148 1.00 40.52 H new ATOM 0 HB2 HIS A 5 17.757 63.997 1.091 1.00 0.00 H new ATOM 0 HB3 HIS A 5 16.170 63.360 0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 5 14.093 65.480 1.604 1.00 43.00 H new ATOM 0 HE1 HIS A 5 16.665 68.505 0.122 1.00 42.43 H new ATOM 0 HE2 HIS A 5 14.288 67.969 0.856 1.00 64.05 H new ATOM 67 N HIS A 6 15.901 61.526 3.847 1.00 71.44 N ATOM 68 CA HIS A 6 15.801 60.082 3.970 1.00 43.42 C ATOM 69 C HIS A 6 14.378 59.643 3.654 1.00 41.41 C ATOM 70 O HIS A 6 13.423 60.072 4.303 1.00 31.30 O ATOM 71 CB HIS A 6 16.245 59.591 5.367 1.00 44.51 C ATOM 72 CG HIS A 6 15.606 60.289 6.537 1.00 64.53 C ATOM 73 ND1 HIS A 6 16.289 61.182 7.332 1.00 22.22 N ATOM 74 CD2 HIS A 6 14.362 60.196 7.070 1.00 42.44 C ATOM 75 CE1 HIS A 6 15.497 61.608 8.297 1.00 22.14 C ATOM 76 NE2 HIS A 6 14.325 61.026 8.162 1.00 32.42 N ATOM 0 H HIS A 6 15.362 62.045 4.540 1.00 71.44 H new ATOM 0 HA HIS A 6 16.481 59.626 3.251 1.00 43.42 H new ATOM 0 HB2 HIS A 6 16.031 58.525 5.442 1.00 44.51 H new ATOM 0 HB3 HIS A 6 17.326 59.705 5.445 1.00 44.51 H new ATOM 0 HD2 HIS A 6 13.552 59.583 6.703 1.00 42.44 H new ATOM 0 HE1 HIS A 6 15.765 62.315 9.068 1.00 22.14 H new ATOM 0 HE2 HIS A 6 13.519 61.169 8.771 1.00 32.42 H new ATOM 85 N HIS A 7 14.232 58.833 2.620 1.00 75.32 N ATOM 86 CA HIS A 7 12.925 58.330 2.227 1.00 61.52 C ATOM 87 C HIS A 7 13.077 57.067 1.396 1.00 22.45 C ATOM 88 O HIS A 7 13.591 57.103 0.280 1.00 1.45 O ATOM 89 CB HIS A 7 12.143 59.389 1.439 1.00 41.23 C ATOM 90 CG HIS A 7 10.750 58.965 1.087 1.00 32.11 C ATOM 91 ND1 HIS A 7 10.310 58.828 -0.210 1.00 54.22 N ATOM 92 CD2 HIS A 7 9.693 58.652 1.874 1.00 42.32 C ATOM 93 CE1 HIS A 7 9.046 58.452 -0.207 1.00 24.20 C ATOM 94 NE2 HIS A 7 8.647 58.336 1.046 1.00 4.10 N ATOM 0 H HIS A 7 15.003 58.509 2.036 1.00 75.32 H new ATOM 0 HA HIS A 7 12.365 58.095 3.132 1.00 61.52 H new ATOM 0 HB2 HIS A 7 12.098 60.307 2.026 1.00 41.23 H new ATOM 0 HB3 HIS A 7 12.685 59.623 0.523 1.00 41.23 H new ATOM 0 HD2 HIS A 7 9.677 58.651 2.954 1.00 42.32 H new ATOM 0 HE1 HIS A 7 8.440 58.270 -1.082 1.00 24.20 H new ATOM 0 HE2 HIS A 7 7.714 58.057 1.348 1.00 4.10 H new ATOM 103 N HIS A 8 12.628 55.956 1.952 1.00 43.32 N ATOM 104 CA HIS A 8 12.705 54.669 1.278 1.00 63.43 C ATOM 105 C HIS A 8 11.443 53.862 1.558 1.00 55.03 C ATOM 106 O HIS A 8 11.047 53.692 2.713 1.00 13.34 O ATOM 107 CB HIS A 8 13.956 53.891 1.728 1.00 32.44 C ATOM 108 CG HIS A 8 13.944 53.488 3.174 1.00 51.43 C ATOM 109 ND1 HIS A 8 13.595 52.224 3.597 1.00 71.15 N ATOM 110 CD2 HIS A 8 14.235 54.191 4.295 1.00 0.12 C ATOM 111 CE1 HIS A 8 13.669 52.167 4.914 1.00 61.21 C ATOM 112 NE2 HIS A 8 14.056 53.344 5.359 1.00 61.00 N ATOM 0 H HIS A 8 12.202 55.918 2.878 1.00 43.32 H new ATOM 0 HA HIS A 8 12.784 54.840 0.204 1.00 63.43 H new ATOM 0 HB2 HIS A 8 14.054 52.996 1.114 1.00 32.44 H new ATOM 0 HB3 HIS A 8 14.838 54.504 1.541 1.00 32.44 H new ATOM 0 HD2 HIS A 8 14.549 55.223 4.342 1.00 0.12 H new ATOM 0 HE1 HIS A 8 13.449 51.302 5.523 1.00 61.21 H new ATOM 0 HE2 HIS A 8 14.200 53.587 6.339 1.00 61.00 H new ATOM 121 N HIS A 9 10.802 53.393 0.499 1.00 33.02 N ATOM 122 CA HIS A 9 9.590 52.599 0.631 1.00 30.21 C ATOM 123 C HIS A 9 9.203 52.009 -0.719 1.00 53.13 C ATOM 124 O HIS A 9 8.381 52.571 -1.442 1.00 25.32 O ATOM 125 CB HIS A 9 8.445 53.454 1.191 1.00 15.25 C ATOM 126 CG HIS A 9 7.198 52.683 1.486 1.00 55.14 C ATOM 127 ND1 HIS A 9 6.002 52.919 0.844 1.00 62.22 N ATOM 128 CD2 HIS A 9 6.962 51.684 2.367 1.00 41.12 C ATOM 129 CE1 HIS A 9 5.083 52.099 1.318 1.00 5.25 C ATOM 130 NE2 HIS A 9 5.639 51.341 2.241 1.00 45.33 N ATOM 0 H HIS A 9 11.101 53.549 -0.464 1.00 33.02 H new ATOM 0 HA HIS A 9 9.780 51.783 1.329 1.00 30.21 H new ATOM 0 HB2 HIS A 9 8.783 53.942 2.105 1.00 15.25 H new ATOM 0 HB3 HIS A 9 8.211 54.243 0.476 1.00 15.25 H new ATOM 0 HD2 HIS A 9 7.679 51.240 3.042 1.00 41.12 H new ATOM 0 HE1 HIS A 9 4.051 52.057 1.003 1.00 5.25 H new ATOM 0 HE2 HIS A 9 5.162 50.615 2.776 1.00 45.33 H new ATOM 139 N HIS A 10 9.822 50.892 -1.073 1.00 53.00 N ATOM 140 CA HIS A 10 9.529 50.238 -2.340 1.00 60.23 C ATOM 141 C HIS A 10 9.752 48.731 -2.243 1.00 3.00 C ATOM 142 O HIS A 10 10.866 48.246 -2.425 1.00 32.34 O ATOM 143 CB HIS A 10 10.384 50.831 -3.466 1.00 51.15 C ATOM 144 CG HIS A 10 9.996 50.348 -4.831 1.00 24.10 C ATOM 145 ND1 HIS A 10 10.808 49.556 -5.614 1.00 23.31 N ATOM 146 CD2 HIS A 10 8.868 50.551 -5.550 1.00 1.03 C ATOM 147 CE1 HIS A 10 10.197 49.292 -6.752 1.00 31.12 C ATOM 148 NE2 HIS A 10 9.020 49.883 -6.738 1.00 5.22 N ATOM 0 H HIS A 10 10.526 50.422 -0.504 1.00 53.00 H new ATOM 0 HA HIS A 10 8.478 50.413 -2.572 1.00 60.23 H new ATOM 0 HB2 HIS A 10 10.304 51.918 -3.438 1.00 51.15 H new ATOM 0 HB3 HIS A 10 11.430 50.583 -3.286 1.00 51.15 H new ATOM 0 HD2 HIS A 10 8.009 51.130 -5.245 1.00 1.03 H new ATOM 0 HE1 HIS A 10 10.594 48.693 -7.558 1.00 31.12 H new ATOM 0 HE2 HIS A 10 8.332 49.849 -7.490 1.00 5.22 H new ATOM 157 N SER A 11 8.688 48.006 -1.933 1.00 11.42 N ATOM 158 CA SER A 11 8.726 46.551 -1.857 1.00 40.32 C ATOM 159 C SER A 11 7.321 45.991 -2.061 1.00 43.43 C ATOM 160 O SER A 11 6.526 45.930 -1.123 1.00 74.55 O ATOM 161 CB SER A 11 9.276 46.099 -0.499 1.00 40.33 C ATOM 162 OG SER A 11 10.570 46.627 -0.270 1.00 54.23 O ATOM 0 H SER A 11 7.774 48.408 -1.727 1.00 11.42 H new ATOM 0 HA SER A 11 9.384 46.174 -2.640 1.00 40.32 H new ATOM 0 HB2 SER A 11 8.603 46.422 0.295 1.00 40.33 H new ATOM 0 HB3 SER A 11 9.313 45.010 -0.463 1.00 40.33 H new ATOM 0 HG SER A 11 10.864 47.126 -1.060 1.00 54.23 H new ATOM 168 N SER A 12 6.999 45.628 -3.294 1.00 54.22 N ATOM 169 CA SER A 12 5.666 45.136 -3.611 1.00 54.20 C ATOM 170 C SER A 12 5.695 44.103 -4.736 1.00 41.43 C ATOM 171 O SER A 12 6.255 44.354 -5.807 1.00 30.34 O ATOM 172 CB SER A 12 4.763 46.306 -4.017 1.00 4.51 C ATOM 173 OG SER A 12 4.728 47.304 -3.007 1.00 3.11 O ATOM 0 H SER A 12 7.639 45.664 -4.088 1.00 54.22 H new ATOM 0 HA SER A 12 5.272 44.651 -2.718 1.00 54.20 H new ATOM 0 HB2 SER A 12 5.124 46.741 -4.949 1.00 4.51 H new ATOM 0 HB3 SER A 12 3.754 45.941 -4.206 1.00 4.51 H new ATOM 0 HG SER A 12 4.146 48.039 -3.293 1.00 3.11 H new ATOM 179 N GLY A 13 5.101 42.944 -4.480 1.00 55.32 N ATOM 180 CA GLY A 13 4.889 41.963 -5.527 1.00 52.42 C ATOM 181 C GLY A 13 5.997 40.937 -5.650 1.00 33.45 C ATOM 182 O GLY A 13 7.179 41.280 -5.690 1.00 41.22 O ATOM 0 H GLY A 13 4.760 42.665 -3.560 1.00 55.32 H new ATOM 0 HA2 GLY A 13 3.949 41.445 -5.339 1.00 52.42 H new ATOM 0 HA3 GLY A 13 4.782 42.482 -6.480 1.00 52.42 H new ATOM 186 N ARG A 14 5.606 39.671 -5.689 1.00 45.41 N ATOM 187 CA ARG A 14 6.520 38.586 -6.014 1.00 70.42 C ATOM 188 C ARG A 14 5.945 37.774 -7.170 1.00 54.44 C ATOM 189 O ARG A 14 4.737 37.804 -7.421 1.00 2.34 O ATOM 190 CB ARG A 14 6.776 37.668 -4.809 1.00 44.50 C ATOM 191 CG ARG A 14 7.515 38.341 -3.660 1.00 42.14 C ATOM 192 CD ARG A 14 6.556 38.921 -2.633 1.00 72.35 C ATOM 193 NE ARG A 14 5.858 37.872 -1.883 1.00 32.44 N ATOM 194 CZ ARG A 14 5.392 38.030 -0.642 1.00 74.15 C ATOM 195 NH1 ARG A 14 5.506 39.202 -0.026 1.00 51.01 N ATOM 196 NH2 ARG A 14 4.801 37.019 -0.017 1.00 20.03 N ATOM 0 H ARG A 14 4.651 39.368 -5.497 1.00 45.41 H new ATOM 0 HA ARG A 14 7.476 39.025 -6.299 1.00 70.42 H new ATOM 0 HB2 ARG A 14 5.821 37.293 -4.442 1.00 44.50 H new ATOM 0 HB3 ARG A 14 7.352 36.804 -5.140 1.00 44.50 H new ATOM 0 HG2 ARG A 14 8.171 37.617 -3.176 1.00 42.14 H new ATOM 0 HG3 ARG A 14 8.151 39.135 -4.052 1.00 42.14 H new ATOM 0 HD2 ARG A 14 7.107 39.557 -1.940 1.00 72.35 H new ATOM 0 HD3 ARG A 14 5.826 39.555 -3.136 1.00 72.35 H new ATOM 0 HE ARG A 14 5.720 36.969 -2.336 1.00 32.44 H new ATOM 0 HH11 ARG A 14 5.951 39.987 -0.501 1.00 51.01 H new ATOM 0 HH12 ARG A 14 5.148 39.317 0.922 1.00 51.01 H new ATOM 0 HH21 ARG A 14 4.702 36.118 -0.485 1.00 20.03 H new ATOM 0 HH22 ARG A 14 4.446 37.143 0.931 1.00 20.03 H new ATOM 210 N GLU A 15 6.804 37.071 -7.887 1.00 22.11 N ATOM 211 CA GLU A 15 6.364 36.256 -9.009 1.00 21.51 C ATOM 212 C GLU A 15 6.912 34.834 -8.913 1.00 11.11 C ATOM 213 O GLU A 15 8.129 34.620 -8.883 1.00 64.21 O ATOM 214 CB GLU A 15 6.767 36.907 -10.339 1.00 20.50 C ATOM 215 CG GLU A 15 8.230 37.314 -10.411 1.00 50.31 C ATOM 216 CD GLU A 15 8.603 37.890 -11.757 1.00 14.03 C ATOM 217 OE1 GLU A 15 8.437 39.110 -11.960 1.00 70.34 O ATOM 218 OE2 GLU A 15 9.069 37.123 -12.626 1.00 22.35 O ATOM 0 H GLU A 15 7.809 37.047 -7.714 1.00 22.11 H new ATOM 0 HA GLU A 15 5.276 36.193 -8.971 1.00 21.51 H new ATOM 0 HB2 GLU A 15 6.554 36.212 -11.151 1.00 20.50 H new ATOM 0 HB3 GLU A 15 6.147 37.788 -10.503 1.00 20.50 H new ATOM 0 HG2 GLU A 15 8.438 38.050 -9.634 1.00 50.31 H new ATOM 0 HG3 GLU A 15 8.856 36.446 -10.204 1.00 50.31 H new ATOM 225 N ASN A 16 5.999 33.869 -8.840 1.00 34.43 N ATOM 226 CA ASN A 16 6.364 32.457 -8.784 1.00 33.15 C ATOM 227 C ASN A 16 5.174 31.583 -9.167 1.00 61.12 C ATOM 228 O ASN A 16 4.199 31.487 -8.419 1.00 72.51 O ATOM 229 CB ASN A 16 6.844 32.076 -7.380 1.00 1.31 C ATOM 230 CG ASN A 16 7.258 30.620 -7.282 1.00 21.45 C ATOM 231 OD1 ASN A 16 7.779 30.041 -8.237 1.00 51.11 O ATOM 232 ND2 ASN A 16 7.017 30.014 -6.129 1.00 12.02 N ATOM 0 H ASN A 16 4.994 34.042 -8.818 1.00 34.43 H new ATOM 0 HA ASN A 16 7.175 32.292 -9.493 1.00 33.15 H new ATOM 0 HB2 ASN A 16 7.687 32.709 -7.104 1.00 1.31 H new ATOM 0 HB3 ASN A 16 6.048 32.273 -6.662 1.00 1.31 H new ATOM 0 HD21 ASN A 16 7.265 29.032 -6.007 1.00 12.02 H new ATOM 0 HD22 ASN A 16 6.584 30.529 -5.363 1.00 12.02 H new ATOM 239 N LEU A 17 5.251 30.961 -10.332 1.00 41.24 N ATOM 240 CA LEU A 17 4.200 30.064 -10.792 1.00 61.14 C ATOM 241 C LEU A 17 4.420 28.662 -10.234 1.00 22.31 C ATOM 242 O LEU A 17 5.318 27.940 -10.669 1.00 45.33 O ATOM 243 CB LEU A 17 4.153 30.027 -12.323 1.00 20.34 C ATOM 244 CG LEU A 17 3.835 31.364 -13.000 1.00 60.41 C ATOM 245 CD1 LEU A 17 3.908 31.227 -14.511 1.00 43.03 C ATOM 246 CD2 LEU A 17 2.464 31.868 -12.573 1.00 43.23 C ATOM 0 H LEU A 17 6.033 31.060 -10.980 1.00 41.24 H new ATOM 0 HA LEU A 17 3.243 30.439 -10.428 1.00 61.14 H new ATOM 0 HB2 LEU A 17 5.115 29.672 -12.691 1.00 20.34 H new ATOM 0 HB3 LEU A 17 3.405 29.296 -12.630 1.00 20.34 H new ATOM 0 HG LEU A 17 4.581 32.094 -12.685 1.00 60.41 H new ATOM 0 HD11 LEU A 17 3.679 32.186 -14.975 1.00 43.03 H new ATOM 0 HD12 LEU A 17 4.911 30.914 -14.800 1.00 43.03 H new ATOM 0 HD13 LEU A 17 3.186 30.482 -14.844 1.00 43.03 H new ATOM 0 HD21 LEU A 17 2.257 32.819 -13.064 1.00 43.23 H new ATOM 0 HD22 LEU A 17 1.704 31.140 -12.856 1.00 43.23 H new ATOM 0 HD23 LEU A 17 2.448 32.007 -11.492 1.00 43.23 H new ATOM 258 N TYR A 18 3.609 28.297 -9.256 1.00 30.05 N ATOM 259 CA TYR A 18 3.713 26.998 -8.607 1.00 21.52 C ATOM 260 C TYR A 18 2.997 25.930 -9.425 1.00 24.31 C ATOM 261 O TYR A 18 2.046 26.229 -10.152 1.00 73.41 O ATOM 262 CB TYR A 18 3.123 27.069 -7.194 1.00 23.35 C ATOM 263 CG TYR A 18 1.664 27.471 -7.165 1.00 72.14 C ATOM 264 CD1 TYR A 18 1.288 28.807 -7.181 1.00 44.44 C ATOM 265 CD2 TYR A 18 0.663 26.511 -7.116 1.00 1.20 C ATOM 266 CE1 TYR A 18 -0.042 29.175 -7.164 1.00 60.12 C ATOM 267 CE2 TYR A 18 -0.669 26.870 -7.101 1.00 72.23 C ATOM 268 CZ TYR A 18 -1.015 28.202 -7.119 1.00 20.31 C ATOM 269 OH TYR A 18 -2.343 28.558 -7.100 1.00 43.44 O ATOM 0 H TYR A 18 2.863 28.888 -8.890 1.00 30.05 H new ATOM 0 HA TYR A 18 4.767 26.727 -8.538 1.00 21.52 H new ATOM 0 HB2 TYR A 18 3.233 26.096 -6.714 1.00 23.35 H new ATOM 0 HB3 TYR A 18 3.699 27.782 -6.604 1.00 23.35 H new ATOM 0 HD1 TYR A 18 2.050 29.572 -7.207 1.00 44.44 H new ATOM 0 HD2 TYR A 18 0.931 25.465 -7.089 1.00 1.20 H new ATOM 0 HE1 TYR A 18 -0.318 30.219 -7.186 1.00 60.12 H new ATOM 0 HE2 TYR A 18 -1.436 26.110 -7.075 1.00 72.23 H new ATOM 0 HH TYR A 18 -2.898 27.751 -7.069 1.00 43.44 H new ATOM 279 N PHE A 19 3.453 24.691 -9.304 1.00 43.43 N ATOM 280 CA PHE A 19 2.850 23.580 -10.024 1.00 34.32 C ATOM 281 C PHE A 19 3.222 22.249 -9.378 1.00 71.12 C ATOM 282 O PHE A 19 4.400 21.967 -9.154 1.00 35.20 O ATOM 283 CB PHE A 19 3.293 23.590 -11.491 1.00 55.20 C ATOM 284 CG PHE A 19 2.662 22.510 -12.325 1.00 21.31 C ATOM 285 CD1 PHE A 19 1.381 22.665 -12.825 1.00 42.14 C ATOM 286 CD2 PHE A 19 3.349 21.341 -12.607 1.00 43.00 C ATOM 287 CE1 PHE A 19 0.798 21.676 -13.592 1.00 25.44 C ATOM 288 CE2 PHE A 19 2.772 20.348 -13.373 1.00 62.30 C ATOM 289 CZ PHE A 19 1.494 20.515 -13.866 1.00 34.11 C ATOM 0 H PHE A 19 4.241 24.430 -8.712 1.00 43.43 H new ATOM 0 HA PHE A 19 1.767 23.697 -9.980 1.00 34.32 H new ATOM 0 HB2 PHE A 19 3.052 24.560 -11.927 1.00 55.20 H new ATOM 0 HB3 PHE A 19 4.377 23.482 -11.534 1.00 55.20 H new ATOM 0 HD1 PHE A 19 0.831 23.570 -12.613 1.00 42.14 H new ATOM 0 HD2 PHE A 19 4.349 21.204 -12.223 1.00 43.00 H new ATOM 0 HE1 PHE A 19 -0.202 21.810 -13.978 1.00 25.44 H new ATOM 0 HE2 PHE A 19 3.320 19.442 -13.586 1.00 62.30 H new ATOM 0 HZ PHE A 19 1.039 19.740 -14.465 1.00 34.11 H new ATOM 299 N GLN A 20 2.210 21.445 -9.072 1.00 13.23 N ATOM 300 CA GLN A 20 2.412 20.106 -8.533 1.00 51.43 C ATOM 301 C GLN A 20 1.258 19.200 -8.935 1.00 14.13 C ATOM 302 O GLN A 20 0.122 19.656 -9.073 1.00 1.34 O ATOM 303 CB GLN A 20 2.547 20.130 -7.006 1.00 52.11 C ATOM 304 CG GLN A 20 3.972 20.363 -6.512 1.00 53.43 C ATOM 305 CD GLN A 20 4.920 19.229 -6.882 1.00 14.21 C ATOM 306 OE1 GLN A 20 4.757 18.565 -7.905 1.00 44.41 O ATOM 307 NE2 GLN A 20 5.923 19.001 -6.050 1.00 53.13 N ATOM 0 H GLN A 20 1.230 21.702 -9.190 1.00 13.23 H new ATOM 0 HA GLN A 20 3.341 19.717 -8.949 1.00 51.43 H new ATOM 0 HB2 GLN A 20 1.903 20.913 -6.607 1.00 52.11 H new ATOM 0 HB3 GLN A 20 2.185 19.184 -6.605 1.00 52.11 H new ATOM 0 HG2 GLN A 20 4.349 21.296 -6.931 1.00 53.43 H new ATOM 0 HG3 GLN A 20 3.961 20.482 -5.429 1.00 53.43 H new ATOM 0 HE21 GLN A 20 6.029 19.571 -5.211 1.00 53.13 H new ATOM 0 HE22 GLN A 20 6.591 18.256 -6.248 1.00 53.13 H new ATOM 316 N GLY A 21 1.558 17.925 -9.139 1.00 60.54 N ATOM 317 CA GLY A 21 0.531 16.972 -9.510 1.00 20.54 C ATOM 318 C GLY A 21 1.103 15.608 -9.832 1.00 40.20 C ATOM 319 O GLY A 21 1.262 15.256 -10.999 1.00 72.43 O ATOM 0 H GLY A 21 2.496 17.533 -9.054 1.00 60.54 H new ATOM 0 HA2 GLY A 21 -0.187 16.879 -8.695 1.00 20.54 H new ATOM 0 HA3 GLY A 21 -0.015 17.348 -10.375 1.00 20.54 H new ATOM 323 N HIS A 22 1.396 14.837 -8.793 1.00 54.40 N ATOM 324 CA HIS A 22 1.988 13.514 -8.952 1.00 51.24 C ATOM 325 C HIS A 22 1.851 12.724 -7.650 1.00 41.54 C ATOM 326 O HIS A 22 1.816 13.311 -6.563 1.00 33.24 O ATOM 327 CB HIS A 22 3.466 13.650 -9.354 1.00 64.53 C ATOM 328 CG HIS A 22 4.180 12.348 -9.565 1.00 23.35 C ATOM 329 ND1 HIS A 22 4.973 11.763 -8.603 1.00 74.53 N ATOM 330 CD2 HIS A 22 4.232 11.527 -10.640 1.00 1.23 C ATOM 331 CE1 HIS A 22 5.478 10.638 -9.074 1.00 64.20 C ATOM 332 NE2 HIS A 22 5.046 10.472 -10.307 1.00 54.11 N ATOM 0 H HIS A 22 1.232 15.108 -7.823 1.00 54.40 H new ATOM 0 HA HIS A 22 1.463 12.974 -9.740 1.00 51.24 H new ATOM 0 HB2 HIS A 22 3.527 14.235 -10.272 1.00 64.53 H new ATOM 0 HB3 HIS A 22 3.988 14.214 -8.581 1.00 64.53 H new ATOM 0 HD1 HIS A 22 5.144 12.141 -7.671 1.00 74.53 H new ATOM 0 HD2 HIS A 22 3.728 11.674 -11.584 1.00 1.23 H new ATOM 0 HE1 HIS A 22 6.134 9.967 -8.539 1.00 64.20 H new ATOM 341 N LEU A 23 1.733 11.405 -7.766 1.00 61.21 N ATOM 342 CA LEU A 23 1.692 10.526 -6.602 1.00 31.34 C ATOM 343 C LEU A 23 2.777 9.460 -6.720 1.00 45.33 C ATOM 344 O LEU A 23 3.074 8.991 -7.818 1.00 72.34 O ATOM 345 CB LEU A 23 0.319 9.857 -6.443 1.00 42.43 C ATOM 346 CG LEU A 23 -0.835 10.781 -6.031 1.00 62.21 C ATOM 347 CD1 LEU A 23 -1.380 11.543 -7.229 1.00 1.12 C ATOM 348 CD2 LEU A 23 -1.940 9.980 -5.362 1.00 11.12 C ATOM 0 H LEU A 23 1.664 10.919 -8.660 1.00 61.21 H new ATOM 0 HA LEU A 23 1.870 11.137 -5.717 1.00 31.34 H new ATOM 0 HB2 LEU A 23 0.057 9.381 -7.388 1.00 42.43 H new ATOM 0 HB3 LEU A 23 0.407 9.064 -5.700 1.00 42.43 H new ATOM 0 HG LEU A 23 -0.449 11.509 -5.317 1.00 62.21 H new ATOM 0 HD11 LEU A 23 -2.196 12.190 -6.908 1.00 1.12 H new ATOM 0 HD12 LEU A 23 -0.587 12.150 -7.666 1.00 1.12 H new ATOM 0 HD13 LEU A 23 -1.748 10.836 -7.973 1.00 1.12 H new ATOM 0 HD21 LEU A 23 -2.752 10.649 -5.075 1.00 11.12 H new ATOM 0 HD22 LEU A 23 -2.317 9.229 -6.057 1.00 11.12 H new ATOM 0 HD23 LEU A 23 -1.545 9.487 -4.474 1.00 11.12 H new ATOM 360 N ARG A 24 3.370 9.086 -5.593 1.00 65.24 N ATOM 361 CA ARG A 24 4.473 8.130 -5.593 1.00 35.13 C ATOM 362 C ARG A 24 4.094 6.849 -4.860 1.00 11.22 C ATOM 363 O ARG A 24 3.312 6.878 -3.912 1.00 20.03 O ATOM 364 CB ARG A 24 5.712 8.744 -4.945 1.00 63.23 C ATOM 365 CG ARG A 24 6.126 10.061 -5.571 1.00 41.15 C ATOM 366 CD ARG A 24 7.383 10.620 -4.930 1.00 34.34 C ATOM 367 NE ARG A 24 7.642 11.987 -5.364 1.00 13.12 N ATOM 368 CZ ARG A 24 8.840 12.561 -5.353 1.00 51.42 C ATOM 369 NH1 ARG A 24 9.916 11.872 -4.986 1.00 22.45 N ATOM 370 NH2 ARG A 24 8.966 13.823 -5.732 1.00 12.34 N ATOM 0 H ARG A 24 3.107 9.428 -4.669 1.00 65.24 H new ATOM 0 HA ARG A 24 4.694 7.882 -6.631 1.00 35.13 H new ATOM 0 HB2 ARG A 24 5.519 8.899 -3.883 1.00 63.23 H new ATOM 0 HB3 ARG A 24 6.540 8.038 -5.019 1.00 63.23 H new ATOM 0 HG2 ARG A 24 6.295 9.919 -6.638 1.00 41.15 H new ATOM 0 HG3 ARG A 24 5.315 10.782 -5.470 1.00 41.15 H new ATOM 0 HD2 ARG A 24 7.281 10.595 -3.845 1.00 34.34 H new ATOM 0 HD3 ARG A 24 8.234 9.989 -5.185 1.00 34.34 H new ATOM 0 HE ARG A 24 6.852 12.539 -5.698 1.00 13.12 H new ATOM 0 HH11 ARG A 24 9.826 10.894 -4.710 1.00 22.45 H new ATOM 0 HH12 ARG A 24 10.832 12.321 -4.981 1.00 22.45 H new ATOM 0 HH21 ARG A 24 8.145 14.350 -6.031 1.00 12.34 H new ATOM 0 HH22 ARG A 24 9.884 14.268 -5.725 1.00 12.34 H new ATOM 384 N GLU A 25 4.665 5.738 -5.301 1.00 12.02 N ATOM 385 CA GLU A 25 4.377 4.431 -4.725 1.00 54.51 C ATOM 386 C GLU A 25 5.241 4.189 -3.487 1.00 11.21 C ATOM 387 O GLU A 25 6.469 4.220 -3.564 1.00 62.42 O ATOM 388 CB GLU A 25 4.631 3.358 -5.783 1.00 40.24 C ATOM 389 CG GLU A 25 4.204 1.955 -5.384 1.00 31.52 C ATOM 390 CD GLU A 25 4.386 0.965 -6.516 1.00 10.25 C ATOM 391 OE1 GLU A 25 5.523 0.504 -6.729 1.00 14.20 O ATOM 392 OE2 GLU A 25 3.395 0.652 -7.210 1.00 30.02 O ATOM 0 H GLU A 25 5.339 5.716 -6.066 1.00 12.02 H new ATOM 0 HA GLU A 25 3.333 4.390 -4.413 1.00 54.51 H new ATOM 0 HB2 GLU A 25 4.105 3.637 -6.696 1.00 40.24 H new ATOM 0 HB3 GLU A 25 5.695 3.345 -6.019 1.00 40.24 H new ATOM 0 HG2 GLU A 25 4.785 1.630 -4.521 1.00 31.52 H new ATOM 0 HG3 GLU A 25 3.158 1.967 -5.077 1.00 31.52 H new ATOM 399 N LEU A 26 4.590 3.954 -2.350 1.00 75.24 N ATOM 400 CA LEU A 26 5.294 3.839 -1.075 1.00 22.42 C ATOM 401 C LEU A 26 5.495 2.388 -0.638 1.00 51.54 C ATOM 402 O LEU A 26 6.623 1.904 -0.571 1.00 54.54 O ATOM 403 CB LEU A 26 4.543 4.604 0.019 1.00 34.31 C ATOM 404 CG LEU A 26 4.952 6.066 0.200 1.00 34.35 C ATOM 405 CD1 LEU A 26 4.644 6.870 -1.049 1.00 2.03 C ATOM 406 CD2 LEU A 26 4.252 6.666 1.412 1.00 74.43 C ATOM 0 H LEU A 26 3.578 3.840 -2.285 1.00 75.24 H new ATOM 0 HA LEU A 26 6.282 4.275 -1.225 1.00 22.42 H new ATOM 0 HB2 LEU A 26 3.477 4.568 -0.204 1.00 34.31 H new ATOM 0 HB3 LEU A 26 4.688 4.084 0.966 1.00 34.31 H new ATOM 0 HG LEU A 26 6.028 6.103 0.369 1.00 34.35 H new ATOM 0 HD11 LEU A 26 4.943 7.907 -0.897 1.00 2.03 H new ATOM 0 HD12 LEU A 26 5.193 6.454 -1.894 1.00 2.03 H new ATOM 0 HD13 LEU A 26 3.574 6.828 -1.255 1.00 2.03 H new ATOM 0 HD21 LEU A 26 4.553 7.707 1.528 1.00 74.43 H new ATOM 0 HD22 LEU A 26 3.172 6.614 1.271 1.00 74.43 H new ATOM 0 HD23 LEU A 26 4.529 6.107 2.306 1.00 74.43 H new ATOM 418 N LEU A 27 4.407 1.692 -0.335 1.00 33.03 N ATOM 419 CA LEU A 27 4.515 0.368 0.261 1.00 73.02 C ATOM 420 C LEU A 27 3.455 -0.579 -0.267 1.00 70.41 C ATOM 421 O LEU A 27 2.508 -0.166 -0.939 1.00 32.04 O ATOM 422 CB LEU A 27 4.405 0.447 1.791 1.00 52.14 C ATOM 423 CG LEU A 27 3.021 0.806 2.357 1.00 13.45 C ATOM 424 CD1 LEU A 27 2.926 0.392 3.815 1.00 4.22 C ATOM 425 CD2 LEU A 27 2.749 2.295 2.225 1.00 54.50 C ATOM 0 H LEU A 27 3.452 2.017 -0.489 1.00 33.03 H new ATOM 0 HA LEU A 27 5.495 -0.022 -0.016 1.00 73.02 H new ATOM 0 HB2 LEU A 27 4.705 -0.515 2.206 1.00 52.14 H new ATOM 0 HB3 LEU A 27 5.123 1.186 2.148 1.00 52.14 H new ATOM 0 HG LEU A 27 2.270 0.265 1.781 1.00 13.45 H new ATOM 0 HD11 LEU A 27 1.941 0.652 4.204 1.00 4.22 H new ATOM 0 HD12 LEU A 27 3.077 -0.684 3.898 1.00 4.22 H new ATOM 0 HD13 LEU A 27 3.692 0.911 4.391 1.00 4.22 H new ATOM 0 HD21 LEU A 27 1.764 2.522 2.633 1.00 54.50 H new ATOM 0 HD22 LEU A 27 3.507 2.853 2.774 1.00 54.50 H new ATOM 0 HD23 LEU A 27 2.781 2.579 1.173 1.00 54.50 H new ATOM 437 N ARG A 28 3.627 -1.853 0.058 1.00 41.34 N ATOM 438 CA ARG A 28 2.671 -2.879 -0.309 1.00 45.22 C ATOM 439 C ARG A 28 1.796 -3.210 0.893 1.00 40.03 C ATOM 440 O ARG A 28 2.293 -3.333 2.017 1.00 14.11 O ATOM 441 CB ARG A 28 3.394 -4.144 -0.799 1.00 14.35 C ATOM 442 CG ARG A 28 4.267 -4.797 0.265 1.00 52.51 C ATOM 443 CD ARG A 28 4.830 -6.132 -0.202 1.00 64.15 C ATOM 444 NE ARG A 28 5.532 -6.828 0.877 1.00 72.11 N ATOM 445 CZ ARG A 28 5.715 -8.148 0.925 1.00 31.25 C ATOM 446 NH1 ARG A 28 5.319 -8.917 -0.078 1.00 2.15 N ATOM 447 NH2 ARG A 28 6.324 -8.693 1.971 1.00 73.01 N ATOM 0 H ARG A 28 4.431 -2.200 0.581 1.00 41.34 H new ATOM 0 HA ARG A 28 2.047 -2.506 -1.121 1.00 45.22 H new ATOM 0 HB2 ARG A 28 2.653 -4.866 -1.143 1.00 14.35 H new ATOM 0 HB3 ARG A 28 4.013 -3.889 -1.659 1.00 14.35 H new ATOM 0 HG2 ARG A 28 5.088 -4.127 0.522 1.00 52.51 H new ATOM 0 HG3 ARG A 28 3.682 -4.947 1.172 1.00 52.51 H new ATOM 0 HD2 ARG A 28 4.020 -6.759 -0.574 1.00 64.15 H new ATOM 0 HD3 ARG A 28 5.514 -5.968 -1.035 1.00 64.15 H new ATOM 0 HE ARG A 28 5.906 -6.267 1.642 1.00 72.11 H new ATOM 0 HH11 ARG A 28 4.871 -8.500 -0.894 1.00 2.15 H new ATOM 0 HH12 ARG A 28 5.462 -9.926 -0.034 1.00 2.15 H new ATOM 0 HH21 ARG A 28 6.651 -8.102 2.736 1.00 73.01 H new ATOM 0 HH22 ARG A 28 6.465 -9.702 2.010 1.00 73.01 H new ATOM 461 N THR A 29 0.503 -3.336 0.669 1.00 44.23 N ATOM 462 CA THR A 29 -0.414 -3.706 1.727 1.00 64.13 C ATOM 463 C THR A 29 -1.100 -5.032 1.422 1.00 62.53 C ATOM 464 O THR A 29 -2.121 -5.086 0.737 1.00 31.41 O ATOM 465 CB THR A 29 -1.463 -2.606 1.992 1.00 41.23 C ATOM 466 OG1 THR A 29 -1.943 -2.066 0.754 1.00 70.43 O ATOM 467 CG2 THR A 29 -0.870 -1.494 2.845 1.00 20.34 C ATOM 0 H THR A 29 0.063 -3.187 -0.239 1.00 44.23 H new ATOM 0 HA THR A 29 0.180 -3.823 2.634 1.00 64.13 H new ATOM 0 HB THR A 29 -2.297 -3.054 2.531 1.00 41.23 H new ATOM 0 HG1 THR A 29 -1.547 -2.560 0.006 1.00 70.43 H new ATOM 0 HG21 THR A 29 -1.625 -0.728 3.021 1.00 20.34 H new ATOM 0 HG22 THR A 29 -0.540 -1.904 3.800 1.00 20.34 H new ATOM 0 HG23 THR A 29 -0.019 -1.052 2.327 1.00 20.34 H new ATOM 475 N ASN A 30 -0.501 -6.106 1.908 1.00 2.44 N ATOM 476 CA ASN A 30 -1.079 -7.437 1.781 1.00 12.00 C ATOM 477 C ASN A 30 -1.508 -7.935 3.157 1.00 21.43 C ATOM 478 O ASN A 30 -1.871 -9.098 3.343 1.00 21.13 O ATOM 479 CB ASN A 30 -0.095 -8.422 1.118 1.00 44.43 C ATOM 480 CG ASN A 30 1.031 -8.927 2.023 1.00 31.42 C ATOM 481 OD1 ASN A 30 1.472 -10.066 1.882 1.00 14.53 O ATOM 482 ND2 ASN A 30 1.528 -8.097 2.935 1.00 74.00 N ATOM 0 H ASN A 30 0.393 -6.083 2.399 1.00 2.44 H new ATOM 0 HA ASN A 30 -1.953 -7.377 1.132 1.00 12.00 H new ATOM 0 HB2 ASN A 30 -0.657 -9.281 0.751 1.00 44.43 H new ATOM 0 HB3 ASN A 30 0.349 -7.937 0.249 1.00 44.43 H new ATOM 0 HD21 ASN A 30 2.293 -8.400 3.538 1.00 74.00 H new ATOM 0 HD22 ASN A 30 1.144 -7.157 3.032 1.00 74.00 H new ATOM 489 N ASP A 31 -1.463 -7.024 4.117 1.00 52.14 N ATOM 490 CA ASP A 31 -1.860 -7.317 5.482 1.00 53.33 C ATOM 491 C ASP A 31 -3.103 -6.517 5.840 1.00 44.42 C ATOM 492 O ASP A 31 -3.121 -5.292 5.699 1.00 34.33 O ATOM 493 CB ASP A 31 -0.727 -6.976 6.445 1.00 35.32 C ATOM 494 CG ASP A 31 -1.005 -7.450 7.853 1.00 22.42 C ATOM 495 OD1 ASP A 31 -0.643 -8.604 8.169 1.00 0.53 O ATOM 496 OD2 ASP A 31 -1.576 -6.676 8.649 1.00 15.15 O ATOM 0 H ASP A 31 -1.151 -6.064 3.971 1.00 52.14 H new ATOM 0 HA ASP A 31 -2.082 -8.381 5.565 1.00 53.33 H new ATOM 0 HB2 ASP A 31 0.198 -7.429 6.088 1.00 35.32 H new ATOM 0 HB3 ASP A 31 -0.572 -5.897 6.452 1.00 35.32 H new ATOM 501 N ALA A 32 -4.138 -7.214 6.293 1.00 73.44 N ATOM 502 CA ALA A 32 -5.417 -6.584 6.603 1.00 42.21 C ATOM 503 C ALA A 32 -5.276 -5.540 7.706 1.00 15.54 C ATOM 504 O ALA A 32 -5.816 -4.437 7.599 1.00 15.24 O ATOM 505 CB ALA A 32 -6.441 -7.640 6.999 1.00 12.25 C ATOM 0 H ALA A 32 -4.117 -8.221 6.455 1.00 73.44 H new ATOM 0 HA ALA A 32 -5.763 -6.071 5.706 1.00 42.21 H new ATOM 0 HB1 ALA A 32 -7.391 -7.158 7.228 1.00 12.25 H new ATOM 0 HB2 ALA A 32 -6.579 -8.340 6.175 1.00 12.25 H new ATOM 0 HB3 ALA A 32 -6.087 -8.179 7.878 1.00 12.25 H new ATOM 511 N VAL A 33 -4.534 -5.883 8.747 1.00 54.41 N ATOM 512 CA VAL A 33 -4.378 -5.004 9.897 1.00 34.24 C ATOM 513 C VAL A 33 -3.523 -3.793 9.537 1.00 42.44 C ATOM 514 O VAL A 33 -3.861 -2.655 9.876 1.00 20.11 O ATOM 515 CB VAL A 33 -3.741 -5.747 11.090 1.00 24.13 C ATOM 516 CG1 VAL A 33 -3.655 -4.843 12.313 1.00 23.33 C ATOM 517 CG2 VAL A 33 -4.524 -7.010 11.413 1.00 13.34 C ATOM 0 H VAL A 33 -4.029 -6.766 8.820 1.00 54.41 H new ATOM 0 HA VAL A 33 -5.374 -4.669 10.188 1.00 34.24 H new ATOM 0 HB VAL A 33 -2.727 -6.031 10.808 1.00 24.13 H new ATOM 0 HG11 VAL A 33 -3.202 -5.391 13.139 1.00 23.33 H new ATOM 0 HG12 VAL A 33 -3.045 -3.971 12.079 1.00 23.33 H new ATOM 0 HG13 VAL A 33 -4.656 -4.519 12.597 1.00 23.33 H new ATOM 0 HG21 VAL A 33 -4.060 -7.520 12.257 1.00 13.34 H new ATOM 0 HG22 VAL A 33 -5.550 -6.746 11.668 1.00 13.34 H new ATOM 0 HG23 VAL A 33 -4.524 -7.670 10.545 1.00 13.34 H new ATOM 527 N LEU A 34 -2.424 -4.045 8.832 1.00 71.21 N ATOM 528 CA LEU A 34 -1.513 -2.986 8.409 1.00 61.42 C ATOM 529 C LEU A 34 -2.231 -1.952 7.548 1.00 64.12 C ATOM 530 O LEU A 34 -2.038 -0.748 7.718 1.00 65.34 O ATOM 531 CB LEU A 34 -0.344 -3.575 7.621 1.00 23.32 C ATOM 532 CG LEU A 34 0.694 -2.557 7.156 1.00 21.02 C ATOM 533 CD1 LEU A 34 1.524 -2.059 8.329 1.00 53.41 C ATOM 534 CD2 LEU A 34 1.579 -3.159 6.082 1.00 70.14 C ATOM 0 H LEU A 34 -2.141 -4.980 8.540 1.00 71.21 H new ATOM 0 HA LEU A 34 -1.138 -2.494 9.307 1.00 61.42 H new ATOM 0 HB2 LEU A 34 0.153 -4.322 8.240 1.00 23.32 H new ATOM 0 HB3 LEU A 34 -0.738 -4.095 6.748 1.00 23.32 H new ATOM 0 HG LEU A 34 0.172 -1.701 6.729 1.00 21.02 H new ATOM 0 HD11 LEU A 34 2.257 -1.335 7.974 1.00 53.41 H new ATOM 0 HD12 LEU A 34 0.871 -1.585 9.062 1.00 53.41 H new ATOM 0 HD13 LEU A 34 2.040 -2.900 8.793 1.00 53.41 H new ATOM 0 HD21 LEU A 34 2.314 -2.421 5.760 1.00 70.14 H new ATOM 0 HD22 LEU A 34 2.093 -4.033 6.482 1.00 70.14 H new ATOM 0 HD23 LEU A 34 0.967 -3.456 5.230 1.00 70.14 H new ATOM 546 N LEU A 35 -3.068 -2.430 6.634 1.00 22.12 N ATOM 547 CA LEU A 35 -3.782 -1.563 5.720 1.00 53.20 C ATOM 548 C LEU A 35 -4.717 -0.624 6.479 1.00 54.13 C ATOM 549 O LEU A 35 -4.887 0.537 6.103 1.00 13.11 O ATOM 550 CB LEU A 35 -4.559 -2.415 4.715 1.00 3.43 C ATOM 551 CG LEU A 35 -5.434 -1.636 3.741 1.00 50.22 C ATOM 552 CD1 LEU A 35 -4.595 -0.704 2.875 1.00 25.52 C ATOM 553 CD2 LEU A 35 -6.242 -2.588 2.874 1.00 62.44 C ATOM 0 H LEU A 35 -3.266 -3.423 6.511 1.00 22.12 H new ATOM 0 HA LEU A 35 -3.065 -0.944 5.181 1.00 53.20 H new ATOM 0 HB2 LEU A 35 -3.848 -3.011 4.143 1.00 3.43 H new ATOM 0 HB3 LEU A 35 -5.189 -3.113 5.266 1.00 3.43 H new ATOM 0 HG LEU A 35 -6.124 -1.024 4.322 1.00 50.22 H new ATOM 0 HD11 LEU A 35 -5.245 -0.161 2.189 1.00 25.52 H new ATOM 0 HD12 LEU A 35 -4.065 0.005 3.511 1.00 25.52 H new ATOM 0 HD13 LEU A 35 -3.874 -1.289 2.304 1.00 25.52 H new ATOM 0 HD21 LEU A 35 -6.861 -2.015 2.184 1.00 62.44 H new ATOM 0 HD22 LEU A 35 -5.565 -3.228 2.308 1.00 62.44 H new ATOM 0 HD23 LEU A 35 -6.880 -3.205 3.507 1.00 62.44 H new ATOM 565 N SER A 36 -5.303 -1.127 7.559 1.00 54.24 N ATOM 566 CA SER A 36 -6.165 -0.316 8.409 1.00 31.24 C ATOM 567 C SER A 36 -5.343 0.714 9.184 1.00 12.11 C ATOM 568 O SER A 36 -5.727 1.879 9.288 1.00 42.41 O ATOM 569 CB SER A 36 -6.943 -1.210 9.378 1.00 44.24 C ATOM 570 OG SER A 36 -7.652 -2.220 8.678 1.00 13.45 O ATOM 0 H SER A 36 -5.197 -2.094 7.867 1.00 54.24 H new ATOM 0 HA SER A 36 -6.873 0.216 7.774 1.00 31.24 H new ATOM 0 HB2 SER A 36 -6.255 -1.669 10.088 1.00 44.24 H new ATOM 0 HB3 SER A 36 -7.641 -0.605 9.957 1.00 44.24 H new ATOM 0 HG SER A 36 -7.024 -2.906 8.369 1.00 13.45 H new ATOM 576 N ALA A 37 -4.197 0.279 9.699 1.00 24.22 N ATOM 577 CA ALA A 37 -3.336 1.142 10.500 1.00 55.13 C ATOM 578 C ALA A 37 -2.761 2.285 9.670 1.00 55.21 C ATOM 579 O ALA A 37 -2.916 3.453 10.023 1.00 3.21 O ATOM 580 CB ALA A 37 -2.215 0.330 11.134 1.00 24.23 C ATOM 0 H ALA A 37 -3.842 -0.669 9.575 1.00 24.22 H new ATOM 0 HA ALA A 37 -3.946 1.580 11.290 1.00 55.13 H new ATOM 0 HB1 ALA A 37 -1.581 0.988 11.729 1.00 24.23 H new ATOM 0 HB2 ALA A 37 -2.642 -0.440 11.776 1.00 24.23 H new ATOM 0 HB3 ALA A 37 -1.618 -0.139 10.352 1.00 24.23 H new ATOM 586 N VAL A 38 -2.116 1.946 8.558 1.00 64.34 N ATOM 587 CA VAL A 38 -1.516 2.951 7.683 1.00 2.30 C ATOM 588 C VAL A 38 -2.591 3.877 7.107 1.00 0.30 C ATOM 589 O VAL A 38 -2.412 5.094 7.043 1.00 62.51 O ATOM 590 CB VAL A 38 -0.735 2.292 6.526 1.00 0.02 C ATOM 591 CG1 VAL A 38 -0.135 3.342 5.603 1.00 33.13 C ATOM 592 CG2 VAL A 38 0.359 1.381 7.067 1.00 51.45 C ATOM 0 H VAL A 38 -1.995 0.984 8.241 1.00 64.34 H new ATOM 0 HA VAL A 38 -0.821 3.535 8.287 1.00 2.30 H new ATOM 0 HB VAL A 38 -1.438 1.691 5.949 1.00 0.02 H new ATOM 0 HG11 VAL A 38 0.409 2.850 4.797 1.00 33.13 H new ATOM 0 HG12 VAL A 38 -0.932 3.954 5.181 1.00 33.13 H new ATOM 0 HG13 VAL A 38 0.548 3.976 6.168 1.00 33.13 H new ATOM 0 HG21 VAL A 38 0.898 0.926 6.236 1.00 51.45 H new ATOM 0 HG22 VAL A 38 1.052 1.965 7.673 1.00 51.45 H new ATOM 0 HG23 VAL A 38 -0.089 0.599 7.680 1.00 51.45 H new ATOM 602 N GLY A 39 -3.717 3.287 6.725 1.00 64.42 N ATOM 603 CA GLY A 39 -4.802 4.051 6.133 1.00 12.11 C ATOM 604 C GLY A 39 -5.398 5.056 7.099 1.00 33.40 C ATOM 605 O GLY A 39 -5.817 6.145 6.696 1.00 13.44 O ATOM 0 H GLY A 39 -3.900 2.288 6.815 1.00 64.42 H new ATOM 0 HA2 GLY A 39 -4.434 4.574 5.250 1.00 12.11 H new ATOM 0 HA3 GLY A 39 -5.582 3.368 5.797 1.00 12.11 H new ATOM 609 N ALA A 40 -5.434 4.693 8.377 1.00 24.24 N ATOM 610 CA ALA A 40 -5.952 5.577 9.412 1.00 50.32 C ATOM 611 C ALA A 40 -4.981 6.719 9.683 1.00 55.52 C ATOM 612 O ALA A 40 -5.391 7.851 9.937 1.00 34.53 O ATOM 613 CB ALA A 40 -6.232 4.799 10.690 1.00 12.43 C ATOM 0 H ALA A 40 -5.109 3.789 8.720 1.00 24.24 H new ATOM 0 HA ALA A 40 -6.890 6.004 9.056 1.00 50.32 H new ATOM 0 HB1 ALA A 40 -6.618 5.477 11.451 1.00 12.43 H new ATOM 0 HB2 ALA A 40 -6.969 4.022 10.489 1.00 12.43 H new ATOM 0 HB3 ALA A 40 -5.309 4.341 11.047 1.00 12.43 H new ATOM 619 N LEU A 41 -3.693 6.415 9.614 1.00 50.11 N ATOM 620 CA LEU A 41 -2.655 7.415 9.825 1.00 52.41 C ATOM 621 C LEU A 41 -2.690 8.460 8.721 1.00 65.43 C ATOM 622 O LEU A 41 -2.639 9.661 8.986 1.00 3.33 O ATOM 623 CB LEU A 41 -1.273 6.757 9.871 1.00 62.31 C ATOM 624 CG LEU A 41 -1.045 5.796 11.038 1.00 61.52 C ATOM 625 CD1 LEU A 41 0.351 5.204 10.972 1.00 62.53 C ATOM 626 CD2 LEU A 41 -1.258 6.506 12.363 1.00 13.15 C ATOM 0 H LEU A 41 -3.340 5.479 9.413 1.00 50.11 H new ATOM 0 HA LEU A 41 -2.845 7.903 10.781 1.00 52.41 H new ATOM 0 HB2 LEU A 41 -1.116 6.214 8.939 1.00 62.31 H new ATOM 0 HB3 LEU A 41 -0.517 7.541 9.914 1.00 62.31 H new ATOM 0 HG LEU A 41 -1.769 4.985 10.962 1.00 61.52 H new ATOM 0 HD11 LEU A 41 0.497 4.522 11.810 1.00 62.53 H new ATOM 0 HD12 LEU A 41 0.471 4.659 10.036 1.00 62.53 H new ATOM 0 HD13 LEU A 41 1.089 6.005 11.023 1.00 62.53 H new ATOM 0 HD21 LEU A 41 -1.091 5.806 13.182 1.00 13.15 H new ATOM 0 HD22 LEU A 41 -0.557 7.337 12.447 1.00 13.15 H new ATOM 0 HD23 LEU A 41 -2.279 6.886 12.412 1.00 13.15 H new ATOM 638 N LEU A 42 -2.787 7.985 7.485 1.00 20.04 N ATOM 639 CA LEU A 42 -2.835 8.864 6.326 1.00 64.35 C ATOM 640 C LEU A 42 -4.025 9.812 6.422 1.00 43.03 C ATOM 641 O LEU A 42 -3.885 11.021 6.243 1.00 53.21 O ATOM 642 CB LEU A 42 -2.921 8.039 5.038 1.00 13.44 C ATOM 643 CG LEU A 42 -1.748 7.086 4.799 1.00 61.44 C ATOM 644 CD1 LEU A 42 -2.008 6.220 3.575 1.00 32.23 C ATOM 645 CD2 LEU A 42 -0.451 7.865 4.643 1.00 31.45 C ATOM 0 H LEU A 42 -2.834 6.991 7.260 1.00 20.04 H new ATOM 0 HA LEU A 42 -1.920 9.456 6.305 1.00 64.35 H new ATOM 0 HB2 LEU A 42 -3.843 7.458 5.058 1.00 13.44 H new ATOM 0 HB3 LEU A 42 -2.993 8.722 4.191 1.00 13.44 H new ATOM 0 HG LEU A 42 -1.650 6.433 5.666 1.00 61.44 H new ATOM 0 HD11 LEU A 42 -1.164 5.548 3.419 1.00 32.23 H new ATOM 0 HD12 LEU A 42 -2.914 5.635 3.729 1.00 32.23 H new ATOM 0 HD13 LEU A 42 -2.132 6.856 2.699 1.00 32.23 H new ATOM 0 HD21 LEU A 42 0.372 7.171 4.474 1.00 31.45 H new ATOM 0 HD22 LEU A 42 -0.534 8.543 3.794 1.00 31.45 H new ATOM 0 HD23 LEU A 42 -0.260 8.440 5.549 1.00 31.45 H new ATOM 657 N ASP A 43 -5.190 9.258 6.734 1.00 23.44 N ATOM 658 CA ASP A 43 -6.404 10.059 6.853 1.00 72.41 C ATOM 659 C ASP A 43 -6.331 10.978 8.067 1.00 33.41 C ATOM 660 O ASP A 43 -6.786 12.124 8.020 1.00 73.11 O ATOM 661 CB ASP A 43 -7.641 9.163 6.957 1.00 70.13 C ATOM 662 CG ASP A 43 -8.931 9.962 7.008 1.00 22.41 C ATOM 663 OD1 ASP A 43 -9.451 10.328 5.932 1.00 73.23 O ATOM 664 OD2 ASP A 43 -9.432 10.235 8.123 1.00 34.34 O ATOM 0 H ASP A 43 -5.321 8.262 6.909 1.00 23.44 H new ATOM 0 HA ASP A 43 -6.486 10.669 5.954 1.00 72.41 H new ATOM 0 HB2 ASP A 43 -7.669 8.486 6.103 1.00 70.13 H new ATOM 0 HB3 ASP A 43 -7.564 8.544 7.851 1.00 70.13 H new ATOM 669 N GLY A 44 -5.743 10.467 9.145 1.00 14.02 N ATOM 670 CA GLY A 44 -5.628 11.228 10.376 1.00 50.13 C ATOM 671 C GLY A 44 -4.743 12.455 10.240 1.00 41.45 C ATOM 672 O GLY A 44 -4.831 13.383 11.044 1.00 4.41 O ATOM 0 H GLY A 44 -5.341 9.531 9.187 1.00 14.02 H new ATOM 0 HA2 GLY A 44 -6.622 11.539 10.698 1.00 50.13 H new ATOM 0 HA3 GLY A 44 -5.227 10.583 11.158 1.00 50.13 H new ATOM 676 N ALA A 45 -3.882 12.457 9.233 1.00 0.14 N ATOM 677 CA ALA A 45 -2.996 13.588 8.991 1.00 44.35 C ATOM 678 C ALA A 45 -3.400 14.346 7.730 1.00 2.31 C ATOM 679 O ALA A 45 -2.689 15.251 7.287 1.00 0.25 O ATOM 680 CB ALA A 45 -1.552 13.115 8.898 1.00 75.43 C ATOM 0 H ALA A 45 -3.777 11.689 8.570 1.00 0.14 H new ATOM 0 HA ALA A 45 -3.084 14.276 9.832 1.00 44.35 H new ATOM 0 HB1 ALA A 45 -0.900 13.970 8.717 1.00 75.43 H new ATOM 0 HB2 ALA A 45 -1.266 12.632 9.833 1.00 75.43 H new ATOM 0 HB3 ALA A 45 -1.454 12.404 8.078 1.00 75.43 H new ATOM 686 N ASP A 46 -4.551 13.976 7.166 1.00 43.24 N ATOM 687 CA ASP A 46 -5.077 14.610 5.952 1.00 33.34 C ATOM 688 C ASP A 46 -4.105 14.426 4.781 1.00 4.01 C ATOM 689 O ASP A 46 -3.979 15.278 3.906 1.00 72.24 O ATOM 690 CB ASP A 46 -5.357 16.099 6.206 1.00 71.11 C ATOM 691 CG ASP A 46 -6.144 16.755 5.084 1.00 65.21 C ATOM 692 OD1 ASP A 46 -7.316 16.384 4.877 1.00 41.11 O ATOM 693 OD2 ASP A 46 -5.592 17.648 4.402 1.00 12.55 O ATOM 0 H ASP A 46 -5.144 13.232 7.534 1.00 43.24 H new ATOM 0 HA ASP A 46 -6.017 14.126 5.686 1.00 33.34 H new ATOM 0 HB2 ASP A 46 -5.909 16.205 7.140 1.00 71.11 H new ATOM 0 HB3 ASP A 46 -4.411 16.624 6.334 1.00 71.11 H new ATOM 698 N ILE A 47 -3.434 13.286 4.771 1.00 44.21 N ATOM 699 CA ILE A 47 -2.472 12.967 3.726 1.00 11.33 C ATOM 700 C ILE A 47 -3.188 12.417 2.497 1.00 62.03 C ATOM 701 O ILE A 47 -3.877 11.397 2.579 1.00 2.12 O ATOM 702 CB ILE A 47 -1.439 11.932 4.226 1.00 24.41 C ATOM 703 CG1 ILE A 47 -0.688 12.477 5.443 1.00 60.21 C ATOM 704 CG2 ILE A 47 -0.465 11.565 3.113 1.00 31.14 C ATOM 705 CD1 ILE A 47 0.219 11.460 6.103 1.00 22.21 C ATOM 0 H ILE A 47 -3.538 12.560 5.480 1.00 44.21 H new ATOM 0 HA ILE A 47 -1.949 13.885 3.459 1.00 11.33 H new ATOM 0 HB ILE A 47 -1.970 11.028 4.524 1.00 24.41 H new ATOM 0 HG12 ILE A 47 -0.093 13.337 5.136 1.00 60.21 H new ATOM 0 HG13 ILE A 47 -1.412 12.835 6.175 1.00 60.21 H new ATOM 0 HG21 ILE A 47 0.254 10.835 3.485 1.00 31.14 H new ATOM 0 HG22 ILE A 47 -1.015 11.138 2.274 1.00 31.14 H new ATOM 0 HG23 ILE A 47 0.063 12.459 2.782 1.00 31.14 H new ATOM 0 HD11 ILE A 47 0.718 11.918 6.957 1.00 22.21 H new ATOM 0 HD12 ILE A 47 -0.373 10.610 6.441 1.00 22.21 H new ATOM 0 HD13 ILE A 47 0.966 11.120 5.386 1.00 22.21 H new ATOM 717 N GLY A 48 -3.030 13.095 1.368 1.00 30.44 N ATOM 718 CA GLY A 48 -3.655 12.650 0.138 1.00 71.42 C ATOM 719 C GLY A 48 -3.072 11.340 -0.345 1.00 12.13 C ATOM 720 O GLY A 48 -1.926 11.290 -0.797 1.00 44.20 O ATOM 0 H GLY A 48 -2.478 13.948 1.282 1.00 30.44 H new ATOM 0 HA2 GLY A 48 -4.727 12.535 0.296 1.00 71.42 H new ATOM 0 HA3 GLY A 48 -3.526 13.411 -0.632 1.00 71.42 H new ATOM 724 N HIS A 49 -3.856 10.274 -0.252 1.00 63.21 N ATOM 725 CA HIS A 49 -3.367 8.947 -0.584 1.00 41.01 C ATOM 726 C HIS A 49 -4.270 8.271 -1.608 1.00 72.31 C ATOM 727 O HIS A 49 -5.479 8.492 -1.629 1.00 61.33 O ATOM 728 CB HIS A 49 -3.249 8.079 0.680 1.00 11.15 C ATOM 729 CG HIS A 49 -4.552 7.540 1.212 1.00 23.20 C ATOM 730 ND1 HIS A 49 -5.392 8.254 2.039 1.00 51.03 N ATOM 731 CD2 HIS A 49 -5.141 6.329 1.043 1.00 52.13 C ATOM 732 CE1 HIS A 49 -6.434 7.507 2.355 1.00 14.42 C ATOM 733 NE2 HIS A 49 -6.309 6.335 1.765 1.00 14.05 N ATOM 0 H HIS A 49 -4.830 10.304 0.050 1.00 63.21 H new ATOM 0 HA HIS A 49 -2.376 9.057 -1.024 1.00 41.01 H new ATOM 0 HB2 HIS A 49 -2.588 7.240 0.465 1.00 11.15 H new ATOM 0 HB3 HIS A 49 -2.771 8.668 1.463 1.00 11.15 H new ATOM 0 HD2 HIS A 49 -4.761 5.511 0.450 1.00 52.13 H new ATOM 0 HE1 HIS A 49 -7.253 7.807 2.992 1.00 14.42 H new ATOM 0 HE2 HIS A 49 -6.970 5.561 1.833 1.00 14.05 H new ATOM 742 N LEU A 50 -3.671 7.444 -2.444 1.00 64.44 N ATOM 743 CA LEU A 50 -4.407 6.671 -3.430 1.00 61.12 C ATOM 744 C LEU A 50 -4.028 5.203 -3.313 1.00 1.51 C ATOM 745 O LEU A 50 -2.844 4.860 -3.307 1.00 65.22 O ATOM 746 CB LEU A 50 -4.105 7.181 -4.842 1.00 53.24 C ATOM 747 CG LEU A 50 -4.809 6.427 -5.975 1.00 33.01 C ATOM 748 CD1 LEU A 50 -6.319 6.574 -5.863 1.00 14.51 C ATOM 749 CD2 LEU A 50 -4.321 6.922 -7.329 1.00 50.15 C ATOM 0 H LEU A 50 -2.663 7.288 -2.460 1.00 64.44 H new ATOM 0 HA LEU A 50 -5.475 6.783 -3.243 1.00 61.12 H new ATOM 0 HB2 LEU A 50 -4.386 8.233 -4.898 1.00 53.24 H new ATOM 0 HB3 LEU A 50 -3.029 7.129 -5.007 1.00 53.24 H new ATOM 0 HG LEU A 50 -4.563 5.369 -5.886 1.00 33.01 H new ATOM 0 HD11 LEU A 50 -6.799 6.031 -6.677 1.00 14.51 H new ATOM 0 HD12 LEU A 50 -6.654 6.168 -4.909 1.00 14.51 H new ATOM 0 HD13 LEU A 50 -6.587 7.629 -5.923 1.00 14.51 H new ATOM 0 HD21 LEU A 50 -4.832 6.375 -8.122 1.00 50.15 H new ATOM 0 HD22 LEU A 50 -4.535 7.986 -7.426 1.00 50.15 H new ATOM 0 HD23 LEU A 50 -3.246 6.759 -7.410 1.00 50.15 H new ATOM 761 N VAL A 51 -5.023 4.346 -3.197 1.00 23.34 N ATOM 762 CA VAL A 51 -4.776 2.919 -3.082 1.00 71.00 C ATOM 763 C VAL A 51 -5.050 2.210 -4.404 1.00 13.23 C ATOM 764 O VAL A 51 -6.119 2.362 -4.995 1.00 74.22 O ATOM 765 CB VAL A 51 -5.617 2.277 -1.955 1.00 10.22 C ATOM 766 CG1 VAL A 51 -5.125 2.745 -0.594 1.00 32.34 C ATOM 767 CG2 VAL A 51 -7.096 2.599 -2.126 1.00 3.30 C ATOM 0 H VAL A 51 -6.008 4.610 -3.180 1.00 23.34 H new ATOM 0 HA VAL A 51 -3.723 2.799 -2.826 1.00 71.00 H new ATOM 0 HB VAL A 51 -5.497 1.195 -2.017 1.00 10.22 H new ATOM 0 HG11 VAL A 51 -5.727 2.284 0.189 1.00 32.34 H new ATOM 0 HG12 VAL A 51 -4.081 2.457 -0.466 1.00 32.34 H new ATOM 0 HG13 VAL A 51 -5.213 3.829 -0.528 1.00 32.34 H new ATOM 0 HG21 VAL A 51 -7.665 2.135 -1.320 1.00 3.30 H new ATOM 0 HG22 VAL A 51 -7.239 3.679 -2.096 1.00 3.30 H new ATOM 0 HG23 VAL A 51 -7.444 2.213 -3.084 1.00 3.30 H new ATOM 777 N LEU A 52 -4.065 1.462 -4.874 1.00 10.34 N ATOM 778 CA LEU A 52 -4.214 0.672 -6.086 1.00 24.03 C ATOM 779 C LEU A 52 -4.425 -0.790 -5.720 1.00 32.23 C ATOM 780 O LEU A 52 -3.540 -1.426 -5.150 1.00 22.51 O ATOM 781 CB LEU A 52 -2.988 0.818 -6.998 1.00 33.55 C ATOM 782 CG LEU A 52 -2.922 2.100 -7.842 1.00 52.35 C ATOM 783 CD1 LEU A 52 -4.177 2.249 -8.688 1.00 14.20 C ATOM 784 CD2 LEU A 52 -2.722 3.329 -6.969 1.00 51.42 C ATOM 0 H LEU A 52 -3.149 1.385 -4.432 1.00 10.34 H new ATOM 0 HA LEU A 52 -5.083 1.039 -6.632 1.00 24.03 H new ATOM 0 HB2 LEU A 52 -2.092 0.768 -6.379 1.00 33.55 H new ATOM 0 HB3 LEU A 52 -2.958 -0.038 -7.672 1.00 33.55 H new ATOM 0 HG LEU A 52 -2.061 2.016 -8.505 1.00 52.35 H new ATOM 0 HD11 LEU A 52 -4.111 3.163 -9.279 1.00 14.20 H new ATOM 0 HD12 LEU A 52 -4.270 1.392 -9.355 1.00 14.20 H new ATOM 0 HD13 LEU A 52 -5.050 2.299 -8.038 1.00 14.20 H new ATOM 0 HD21 LEU A 52 -2.680 4.219 -7.597 1.00 51.42 H new ATOM 0 HD22 LEU A 52 -3.553 3.418 -6.270 1.00 51.42 H new ATOM 0 HD23 LEU A 52 -1.789 3.233 -6.413 1.00 51.42 H new ATOM 796 N ASP A 53 -5.602 -1.310 -6.028 1.00 3.15 N ATOM 797 CA ASP A 53 -5.946 -2.676 -5.661 1.00 21.15 C ATOM 798 C ASP A 53 -5.470 -3.656 -6.723 1.00 43.31 C ATOM 799 O ASP A 53 -4.607 -4.491 -6.452 1.00 42.31 O ATOM 800 CB ASP A 53 -7.455 -2.809 -5.463 1.00 53.22 C ATOM 801 CG ASP A 53 -7.856 -4.209 -5.052 1.00 54.25 C ATOM 802 OD1 ASP A 53 -7.592 -4.588 -3.893 1.00 34.41 O ATOM 803 OD2 ASP A 53 -8.440 -4.929 -5.883 1.00 41.32 O ATOM 0 H ASP A 53 -6.335 -0.809 -6.530 1.00 3.15 H new ATOM 0 HA ASP A 53 -5.444 -2.913 -4.723 1.00 21.15 H new ATOM 0 HB2 ASP A 53 -7.784 -2.101 -4.703 1.00 53.22 H new ATOM 0 HB3 ASP A 53 -7.966 -2.543 -6.388 1.00 53.22 H new ATOM 808 N GLN A 54 -6.044 -3.533 -7.925 1.00 14.31 N ATOM 809 CA GLN A 54 -5.680 -4.363 -9.076 1.00 61.35 C ATOM 810 C GLN A 54 -6.089 -5.822 -8.893 1.00 23.21 C ATOM 811 O GLN A 54 -5.675 -6.496 -7.951 1.00 55.34 O ATOM 812 CB GLN A 54 -4.177 -4.269 -9.366 1.00 4.41 C ATOM 813 CG GLN A 54 -3.746 -2.913 -9.903 1.00 43.21 C ATOM 814 CD GLN A 54 -4.309 -2.630 -11.281 1.00 20.12 C ATOM 815 OE1 GLN A 54 -4.589 -1.482 -11.630 1.00 22.11 O ATOM 816 NE2 GLN A 54 -4.455 -3.672 -12.084 1.00 3.54 N ATOM 0 H GLN A 54 -6.776 -2.852 -8.126 1.00 14.31 H new ATOM 0 HA GLN A 54 -6.233 -3.972 -9.930 1.00 61.35 H new ATOM 0 HB2 GLN A 54 -3.625 -4.481 -8.450 1.00 4.41 H new ATOM 0 HB3 GLN A 54 -3.905 -5.040 -10.087 1.00 4.41 H new ATOM 0 HG2 GLN A 54 -4.070 -2.133 -9.214 1.00 43.21 H new ATOM 0 HG3 GLN A 54 -2.658 -2.871 -9.943 1.00 43.21 H new ATOM 0 HE21 GLN A 54 -4.211 -4.607 -11.756 1.00 3.54 H new ATOM 0 HE22 GLN A 54 -4.811 -3.540 -13.031 1.00 3.54 H new ATOM 825 N ASN A 55 -6.918 -6.306 -9.805 1.00 53.31 N ATOM 826 CA ASN A 55 -7.276 -7.718 -9.831 1.00 11.54 C ATOM 827 C ASN A 55 -6.741 -8.364 -11.104 1.00 11.02 C ATOM 828 O ASN A 55 -6.319 -7.666 -12.026 1.00 53.23 O ATOM 829 CB ASN A 55 -8.795 -7.918 -9.714 1.00 61.24 C ATOM 830 CG ASN A 55 -9.583 -7.247 -10.825 1.00 11.24 C ATOM 831 OD1 ASN A 55 -9.816 -7.835 -11.881 1.00 23.03 O ATOM 832 ND2 ASN A 55 -10.036 -6.027 -10.581 1.00 53.11 N ATOM 0 H ASN A 55 -7.355 -5.744 -10.536 1.00 53.31 H new ATOM 0 HA ASN A 55 -6.819 -8.202 -8.968 1.00 11.54 H new ATOM 0 HB2 ASN A 55 -9.014 -8.986 -9.718 1.00 61.24 H new ATOM 0 HB3 ASN A 55 -9.132 -7.527 -8.754 1.00 61.24 H new ATOM 0 HD21 ASN A 55 -10.599 -5.543 -11.280 1.00 53.11 H new ATOM 0 HD22 ASN A 55 -9.822 -5.572 -9.694 1.00 53.11 H new ATOM 839 N MET A 56 -6.753 -9.689 -11.150 1.00 14.14 N ATOM 840 CA MET A 56 -6.189 -10.430 -12.273 1.00 44.20 C ATOM 841 C MET A 56 -7.036 -10.268 -13.531 1.00 52.14 C ATOM 842 O MET A 56 -8.241 -10.011 -13.453 1.00 51.34 O ATOM 843 CB MET A 56 -6.058 -11.917 -11.921 1.00 61.15 C ATOM 844 CG MET A 56 -7.372 -12.601 -11.559 1.00 72.01 C ATOM 845 SD MET A 56 -8.032 -12.070 -9.963 1.00 22.51 S ATOM 846 CE MET A 56 -9.563 -12.993 -9.907 1.00 52.14 C ATOM 0 H MET A 56 -7.150 -10.278 -10.418 1.00 14.14 H new ATOM 0 HA MET A 56 -5.200 -10.019 -12.475 1.00 44.20 H new ATOM 0 HB2 MET A 56 -5.613 -12.440 -12.768 1.00 61.15 H new ATOM 0 HB3 MET A 56 -5.367 -12.019 -11.084 1.00 61.15 H new ATOM 0 HG2 MET A 56 -8.108 -12.395 -12.336 1.00 72.01 H new ATOM 0 HG3 MET A 56 -7.220 -13.680 -11.542 1.00 72.01 H new ATOM 0 HE1 MET A 56 -10.273 -12.480 -9.258 1.00 52.14 H new ATOM 0 HE2 MET A 56 -9.979 -13.069 -10.912 1.00 52.14 H new ATOM 0 HE3 MET A 56 -9.371 -13.993 -9.517 1.00 52.14 H new ATOM 856 N SER A 57 -6.393 -10.417 -14.688 1.00 35.01 N ATOM 857 CA SER A 57 -7.071 -10.315 -15.978 1.00 30.44 C ATOM 858 C SER A 57 -8.175 -11.362 -16.101 1.00 34.03 C ATOM 859 O SER A 57 -8.136 -12.392 -15.425 1.00 62.34 O ATOM 860 CB SER A 57 -6.065 -10.495 -17.117 1.00 71.40 C ATOM 861 OG SER A 57 -5.013 -9.549 -17.029 1.00 12.55 O ATOM 0 H SER A 57 -5.394 -10.611 -14.757 1.00 35.01 H new ATOM 0 HA SER A 57 -7.522 -9.325 -16.044 1.00 30.44 H new ATOM 0 HB2 SER A 57 -5.653 -11.504 -17.086 1.00 71.40 H new ATOM 0 HB3 SER A 57 -6.574 -10.388 -18.075 1.00 71.40 H new ATOM 0 HG SER A 57 -4.385 -9.689 -17.768 1.00 12.55 H new ATOM 867 N ILE A 58 -9.145 -11.100 -16.970 1.00 0.52 N ATOM 868 CA ILE A 58 -10.281 -11.998 -17.144 1.00 22.14 C ATOM 869 C ILE A 58 -9.876 -13.283 -17.880 1.00 65.13 C ATOM 870 O ILE A 58 -9.785 -13.315 -19.110 1.00 24.31 O ATOM 871 CB ILE A 58 -11.460 -11.293 -17.869 1.00 2.53 C ATOM 872 CG1 ILE A 58 -12.607 -12.275 -18.141 1.00 43.53 C ATOM 873 CG2 ILE A 58 -11.002 -10.625 -19.162 1.00 51.42 C ATOM 874 CD1 ILE A 58 -13.229 -12.847 -16.885 1.00 24.11 C ATOM 0 H ILE A 58 -9.167 -10.272 -17.566 1.00 0.52 H new ATOM 0 HA ILE A 58 -10.623 -12.278 -16.148 1.00 22.14 H new ATOM 0 HB ILE A 58 -11.831 -10.512 -17.205 1.00 2.53 H new ATOM 0 HG12 ILE A 58 -13.379 -11.767 -18.719 1.00 43.53 H new ATOM 0 HG13 ILE A 58 -12.234 -13.094 -18.757 1.00 43.53 H new ATOM 0 HG21 ILE A 58 -11.852 -10.142 -19.643 1.00 51.42 H new ATOM 0 HG22 ILE A 58 -10.240 -9.879 -18.936 1.00 51.42 H new ATOM 0 HG23 ILE A 58 -10.585 -11.377 -19.832 1.00 51.42 H new ATOM 0 HD11 ILE A 58 -14.032 -13.532 -17.156 1.00 24.11 H new ATOM 0 HD12 ILE A 58 -12.471 -13.384 -16.315 1.00 24.11 H new ATOM 0 HD13 ILE A 58 -13.633 -12.037 -16.278 1.00 24.11 H new ATOM 886 N LEU A 59 -9.598 -14.323 -17.091 1.00 21.41 N ATOM 887 CA LEU A 59 -9.252 -15.657 -17.587 1.00 4.31 C ATOM 888 C LEU A 59 -8.702 -16.469 -16.420 1.00 41.41 C ATOM 889 O LEU A 59 -7.532 -16.325 -16.066 1.00 3.32 O ATOM 890 CB LEU A 59 -8.195 -15.601 -18.708 1.00 52.32 C ATOM 891 CG LEU A 59 -8.225 -16.760 -19.718 1.00 62.02 C ATOM 892 CD1 LEU A 59 -7.898 -18.088 -19.057 1.00 13.32 C ATOM 893 CD2 LEU A 59 -9.578 -16.828 -20.405 1.00 44.34 C ATOM 0 H LEU A 59 -9.607 -14.261 -16.073 1.00 21.41 H new ATOM 0 HA LEU A 59 -10.148 -16.116 -18.004 1.00 4.31 H new ATOM 0 HB2 LEU A 59 -8.321 -14.666 -19.254 1.00 52.32 H new ATOM 0 HB3 LEU A 59 -7.207 -15.571 -18.248 1.00 52.32 H new ATOM 0 HG LEU A 59 -7.457 -16.567 -20.467 1.00 62.02 H new ATOM 0 HD11 LEU A 59 -7.929 -18.883 -19.802 1.00 13.32 H new ATOM 0 HD12 LEU A 59 -6.901 -18.040 -18.619 1.00 13.32 H new ATOM 0 HD13 LEU A 59 -8.629 -18.295 -18.275 1.00 13.32 H new ATOM 0 HD21 LEU A 59 -9.583 -17.653 -21.117 1.00 44.34 H new ATOM 0 HD22 LEU A 59 -10.357 -16.987 -19.659 1.00 44.34 H new ATOM 0 HD23 LEU A 59 -9.766 -15.893 -20.932 1.00 44.34 H new ATOM 905 N GLU A 60 -9.559 -17.287 -15.812 1.00 2.41 N ATOM 906 CA GLU A 60 -9.187 -18.102 -14.655 1.00 62.33 C ATOM 907 C GLU A 60 -8.843 -17.211 -13.459 1.00 30.35 C ATOM 908 O GLU A 60 -7.711 -16.759 -13.298 1.00 34.43 O ATOM 909 CB GLU A 60 -8.022 -19.048 -15.001 1.00 62.32 C ATOM 910 CG GLU A 60 -7.549 -19.911 -13.837 1.00 30.30 C ATOM 911 CD GLU A 60 -8.667 -20.708 -13.202 1.00 34.13 C ATOM 912 OE1 GLU A 60 -8.956 -21.827 -13.673 1.00 35.15 O ATOM 913 OE2 GLU A 60 -9.257 -20.223 -12.218 1.00 1.55 O ATOM 0 H GLU A 60 -10.529 -17.404 -16.106 1.00 2.41 H new ATOM 0 HA GLU A 60 -10.042 -18.719 -14.380 1.00 62.33 H new ATOM 0 HB2 GLU A 60 -8.329 -19.699 -15.820 1.00 62.32 H new ATOM 0 HB3 GLU A 60 -7.182 -18.455 -15.363 1.00 62.32 H new ATOM 0 HG2 GLU A 60 -6.777 -20.595 -14.189 1.00 30.30 H new ATOM 0 HG3 GLU A 60 -7.090 -19.273 -13.082 1.00 30.30 H new ATOM 920 N GLY A 61 -9.843 -16.941 -12.634 1.00 33.13 N ATOM 921 CA GLY A 61 -9.654 -16.053 -11.510 1.00 12.31 C ATOM 922 C GLY A 61 -9.788 -16.748 -10.172 1.00 43.52 C ATOM 923 O GLY A 61 -10.480 -16.257 -9.275 1.00 30.35 O ATOM 0 H GLY A 61 -10.784 -17.323 -12.725 1.00 33.13 H new ATOM 0 HA2 GLY A 61 -8.666 -15.597 -11.578 1.00 12.31 H new ATOM 0 HA3 GLY A 61 -10.383 -15.245 -11.567 1.00 12.31 H new ATOM 927 N SER A 62 -9.146 -17.897 -10.037 1.00 3.35 N ATOM 928 CA SER A 62 -9.112 -18.601 -8.767 1.00 11.42 C ATOM 929 C SER A 62 -8.006 -18.037 -7.877 1.00 24.32 C ATOM 930 O SER A 62 -8.254 -17.617 -6.745 1.00 3.40 O ATOM 931 CB SER A 62 -8.904 -20.098 -9.003 1.00 42.04 C ATOM 932 OG SER A 62 -7.903 -20.317 -9.984 1.00 11.30 O ATOM 0 H SER A 62 -8.641 -18.362 -10.792 1.00 3.35 H new ATOM 0 HA SER A 62 -10.066 -18.459 -8.259 1.00 11.42 H new ATOM 0 HB2 SER A 62 -8.617 -20.582 -8.069 1.00 42.04 H new ATOM 0 HB3 SER A 62 -9.841 -20.554 -9.324 1.00 42.04 H new ATOM 0 HG SER A 62 -8.317 -20.663 -10.802 1.00 11.30 H new ATOM 938 N LEU A 63 -6.788 -18.014 -8.401 1.00 53.02 N ATOM 939 CA LEU A 63 -5.654 -17.464 -7.672 1.00 32.32 C ATOM 940 C LEU A 63 -5.184 -16.171 -8.316 1.00 43.32 C ATOM 941 O LEU A 63 -5.059 -16.084 -9.538 1.00 1.50 O ATOM 942 CB LEU A 63 -4.488 -18.455 -7.620 1.00 61.11 C ATOM 943 CG LEU A 63 -4.601 -19.573 -6.579 1.00 11.04 C ATOM 944 CD1 LEU A 63 -5.658 -20.592 -6.969 1.00 75.35 C ATOM 945 CD2 LEU A 63 -3.254 -20.245 -6.393 1.00 70.41 C ATOM 0 H LEU A 63 -6.560 -18.370 -9.329 1.00 53.02 H new ATOM 0 HA LEU A 63 -5.988 -17.265 -6.654 1.00 32.32 H new ATOM 0 HB2 LEU A 63 -4.381 -18.912 -8.604 1.00 61.11 H new ATOM 0 HB3 LEU A 63 -3.572 -17.897 -7.427 1.00 61.11 H new ATOM 0 HG LEU A 63 -4.910 -19.127 -5.634 1.00 11.04 H new ATOM 0 HD11 LEU A 63 -5.711 -21.371 -6.208 1.00 75.35 H new ATOM 0 HD12 LEU A 63 -6.626 -20.098 -7.051 1.00 75.35 H new ATOM 0 HD13 LEU A 63 -5.396 -21.039 -7.928 1.00 75.35 H new ATOM 0 HD21 LEU A 63 -3.343 -21.039 -5.651 1.00 70.41 H new ATOM 0 HD22 LEU A 63 -2.925 -20.670 -7.341 1.00 70.41 H new ATOM 0 HD23 LEU A 63 -2.525 -19.510 -6.052 1.00 70.41 H new ATOM 957 N GLY A 64 -4.939 -15.169 -7.488 1.00 31.31 N ATOM 958 CA GLY A 64 -4.406 -13.912 -7.971 1.00 63.42 C ATOM 959 C GLY A 64 -3.278 -13.418 -7.096 1.00 73.44 C ATOM 960 O GLY A 64 -2.124 -13.380 -7.523 1.00 1.24 O ATOM 0 H GLY A 64 -5.101 -15.204 -6.482 1.00 31.31 H new ATOM 0 HA2 GLY A 64 -4.048 -14.036 -8.993 1.00 63.42 H new ATOM 0 HA3 GLY A 64 -5.200 -13.166 -8.000 1.00 63.42 H new ATOM 964 N VAL A 65 -3.623 -13.057 -5.861 1.00 4.01 N ATOM 965 CA VAL A 65 -2.655 -12.578 -4.881 1.00 61.45 C ATOM 966 C VAL A 65 -1.956 -11.320 -5.395 1.00 73.02 C ATOM 967 O VAL A 65 -0.754 -11.315 -5.672 1.00 34.32 O ATOM 968 CB VAL A 65 -1.606 -13.660 -4.514 1.00 12.43 C ATOM 969 CG1 VAL A 65 -0.735 -13.203 -3.351 1.00 21.34 C ATOM 970 CG2 VAL A 65 -2.285 -14.983 -4.180 1.00 12.01 C ATOM 0 H VAL A 65 -4.582 -13.089 -5.514 1.00 4.01 H new ATOM 0 HA VAL A 65 -3.208 -12.339 -3.973 1.00 61.45 H new ATOM 0 HB VAL A 65 -0.965 -13.811 -5.383 1.00 12.43 H new ATOM 0 HG11 VAL A 65 -0.008 -13.980 -3.114 1.00 21.34 H new ATOM 0 HG12 VAL A 65 -0.211 -12.288 -3.626 1.00 21.34 H new ATOM 0 HG13 VAL A 65 -1.362 -13.014 -2.479 1.00 21.34 H new ATOM 0 HG21 VAL A 65 -1.529 -15.726 -3.926 1.00 12.01 H new ATOM 0 HG22 VAL A 65 -2.956 -14.844 -3.333 1.00 12.01 H new ATOM 0 HG23 VAL A 65 -2.856 -15.327 -5.042 1.00 12.01 H new ATOM 980 N ILE A 66 -2.735 -10.262 -5.561 1.00 12.35 N ATOM 981 CA ILE A 66 -2.199 -8.981 -5.988 1.00 25.43 C ATOM 982 C ILE A 66 -2.126 -8.043 -4.792 1.00 33.15 C ATOM 983 O ILE A 66 -3.156 -7.640 -4.251 1.00 52.12 O ATOM 984 CB ILE A 66 -3.050 -8.312 -7.101 1.00 24.12 C ATOM 985 CG1 ILE A 66 -3.210 -9.231 -8.319 1.00 3.51 C ATOM 986 CG2 ILE A 66 -2.422 -6.991 -7.525 1.00 32.43 C ATOM 987 CD1 ILE A 66 -4.342 -10.229 -8.190 1.00 5.11 C ATOM 0 H ILE A 66 -3.743 -10.267 -5.406 1.00 12.35 H new ATOM 0 HA ILE A 66 -1.208 -9.170 -6.402 1.00 25.43 H new ATOM 0 HB ILE A 66 -4.042 -8.124 -6.689 1.00 24.12 H new ATOM 0 HG12 ILE A 66 -3.378 -8.618 -9.205 1.00 3.51 H new ATOM 0 HG13 ILE A 66 -2.278 -9.773 -8.478 1.00 3.51 H new ATOM 0 HG21 ILE A 66 -3.029 -6.533 -8.306 1.00 32.43 H new ATOM 0 HG22 ILE A 66 -2.369 -6.321 -6.667 1.00 32.43 H new ATOM 0 HG23 ILE A 66 -1.417 -7.172 -7.906 1.00 32.43 H new ATOM 0 HD11 ILE A 66 -4.391 -10.842 -9.090 1.00 5.11 H new ATOM 0 HD12 ILE A 66 -4.167 -10.868 -7.325 1.00 5.11 H new ATOM 0 HD13 ILE A 66 -5.284 -9.696 -8.062 1.00 5.11 H new ATOM 999 N PRO A 67 -0.912 -7.711 -4.341 1.00 43.53 N ATOM 1000 CA PRO A 67 -0.715 -6.818 -3.201 1.00 34.55 C ATOM 1001 C PRO A 67 -1.170 -5.396 -3.510 1.00 44.02 C ATOM 1002 O PRO A 67 -0.607 -4.736 -4.386 1.00 43.01 O ATOM 1003 CB PRO A 67 0.800 -6.856 -2.956 1.00 3.54 C ATOM 1004 CG PRO A 67 1.299 -8.028 -3.735 1.00 3.12 C ATOM 1005 CD PRO A 67 0.363 -8.179 -4.897 1.00 33.20 C ATOM 0 HA PRO A 67 -1.298 -7.131 -2.335 1.00 34.55 H new ATOM 0 HB2 PRO A 67 1.275 -5.933 -3.288 1.00 3.54 H new ATOM 0 HB3 PRO A 67 1.024 -6.966 -1.895 1.00 3.54 H new ATOM 0 HG2 PRO A 67 2.321 -7.864 -4.076 1.00 3.12 H new ATOM 0 HG3 PRO A 67 1.309 -8.929 -3.122 1.00 3.12 H new ATOM 0 HD2 PRO A 67 0.677 -7.580 -5.752 1.00 33.20 H new ATOM 0 HD3 PRO A 67 0.302 -9.213 -5.237 1.00 33.20 H new ATOM 1013 N ARG A 68 -2.205 -4.945 -2.809 1.00 23.03 N ATOM 1014 CA ARG A 68 -2.673 -3.573 -2.934 1.00 72.22 C ATOM 1015 C ARG A 68 -1.545 -2.616 -2.572 1.00 33.24 C ATOM 1016 O ARG A 68 -0.817 -2.844 -1.607 1.00 13.02 O ATOM 1017 CB ARG A 68 -3.892 -3.344 -2.030 1.00 41.55 C ATOM 1018 CG ARG A 68 -4.413 -1.917 -2.051 1.00 44.01 C ATOM 1019 CD ARG A 68 -5.695 -1.775 -1.251 1.00 3.21 C ATOM 1020 NE ARG A 68 -6.788 -2.566 -1.818 1.00 53.42 N ATOM 1021 CZ ARG A 68 -8.077 -2.378 -1.535 1.00 12.54 C ATOM 1022 NH1 ARG A 68 -8.456 -1.428 -0.689 1.00 31.04 N ATOM 1023 NH2 ARG A 68 -8.996 -3.146 -2.106 1.00 23.32 N ATOM 0 H ARG A 68 -2.735 -5.512 -2.148 1.00 23.03 H new ATOM 0 HA ARG A 68 -2.976 -3.386 -3.964 1.00 72.22 H new ATOM 0 HB2 ARG A 68 -4.692 -4.017 -2.338 1.00 41.55 H new ATOM 0 HB3 ARG A 68 -3.628 -3.609 -1.006 1.00 41.55 H new ATOM 0 HG2 ARG A 68 -3.655 -1.247 -1.645 1.00 44.01 H new ATOM 0 HG3 ARG A 68 -4.591 -1.610 -3.082 1.00 44.01 H new ATOM 0 HD2 ARG A 68 -5.517 -2.089 -0.222 1.00 3.21 H new ATOM 0 HD3 ARG A 68 -5.987 -0.725 -1.218 1.00 3.21 H new ATOM 0 HE ARG A 68 -6.548 -3.310 -2.473 1.00 53.42 H new ATOM 0 HH11 ARG A 68 -7.757 -0.831 -0.246 1.00 31.04 H new ATOM 0 HH12 ARG A 68 -9.446 -1.295 -0.481 1.00 31.04 H new ATOM 0 HH21 ARG A 68 -8.715 -3.877 -2.759 1.00 23.32 H new ATOM 0 HH22 ARG A 68 -9.983 -3.005 -1.892 1.00 23.32 H new ATOM 1037 N ARG A 69 -1.388 -1.563 -3.352 1.00 3.01 N ATOM 1038 CA ARG A 69 -0.280 -0.642 -3.163 1.00 41.03 C ATOM 1039 C ARG A 69 -0.779 0.722 -2.713 1.00 13.23 C ATOM 1040 O ARG A 69 -1.804 1.210 -3.193 1.00 70.53 O ATOM 1041 CB ARG A 69 0.517 -0.511 -4.461 1.00 72.31 C ATOM 1042 CG ARG A 69 0.996 -1.847 -5.010 1.00 53.13 C ATOM 1043 CD ARG A 69 1.761 -1.668 -6.307 1.00 24.42 C ATOM 1044 NE ARG A 69 2.182 -2.940 -6.881 1.00 24.44 N ATOM 1045 CZ ARG A 69 3.255 -3.090 -7.650 1.00 74.42 C ATOM 1046 NH1 ARG A 69 4.040 -2.050 -7.920 1.00 55.31 N ATOM 1047 NH2 ARG A 69 3.542 -4.289 -8.140 1.00 5.20 N ATOM 0 H ARG A 69 -2.012 -1.323 -4.122 1.00 3.01 H new ATOM 0 HA ARG A 69 0.370 -1.040 -2.384 1.00 41.03 H new ATOM 0 HB2 ARG A 69 -0.102 -0.019 -5.211 1.00 72.31 H new ATOM 0 HB3 ARG A 69 1.379 0.133 -4.287 1.00 72.31 H new ATOM 0 HG2 ARG A 69 1.633 -2.337 -4.274 1.00 53.13 H new ATOM 0 HG3 ARG A 69 0.141 -2.501 -5.177 1.00 53.13 H new ATOM 0 HD2 ARG A 69 1.136 -1.137 -7.025 1.00 24.42 H new ATOM 0 HD3 ARG A 69 2.637 -1.046 -6.126 1.00 24.42 H new ATOM 0 HE ARG A 69 1.618 -3.766 -6.680 1.00 24.44 H new ATOM 0 HH11 ARG A 69 3.819 -1.131 -7.536 1.00 55.31 H new ATOM 0 HH12 ARG A 69 4.862 -2.172 -8.511 1.00 55.31 H new ATOM 0 HH21 ARG A 69 2.941 -5.085 -7.925 1.00 5.20 H new ATOM 0 HH22 ARG A 69 4.363 -4.415 -8.731 1.00 5.20 H new ATOM 1061 N VAL A 70 -0.059 1.325 -1.778 1.00 51.31 N ATOM 1062 CA VAL A 70 -0.436 2.622 -1.246 1.00 12.40 C ATOM 1063 C VAL A 70 0.474 3.714 -1.795 1.00 13.04 C ATOM 1064 O VAL A 70 1.693 3.683 -1.599 1.00 31.51 O ATOM 1065 CB VAL A 70 -0.395 2.638 0.298 1.00 23.42 C ATOM 1066 CG1 VAL A 70 -0.810 3.998 0.833 1.00 51.15 C ATOM 1067 CG2 VAL A 70 -1.293 1.547 0.862 1.00 62.12 C ATOM 0 H VAL A 70 0.791 0.934 -1.373 1.00 51.31 H new ATOM 0 HA VAL A 70 -1.461 2.815 -1.563 1.00 12.40 H new ATOM 0 HB VAL A 70 0.629 2.445 0.617 1.00 23.42 H new ATOM 0 HG11 VAL A 70 -0.774 3.987 1.922 1.00 51.15 H new ATOM 0 HG12 VAL A 70 -0.129 4.761 0.455 1.00 51.15 H new ATOM 0 HG13 VAL A 70 -1.825 4.223 0.506 1.00 51.15 H new ATOM 0 HG21 VAL A 70 -1.254 1.570 1.951 1.00 62.12 H new ATOM 0 HG22 VAL A 70 -2.318 1.713 0.532 1.00 62.12 H new ATOM 0 HG23 VAL A 70 -0.951 0.575 0.508 1.00 62.12 H new ATOM 1077 N LEU A 71 -0.121 4.656 -2.508 1.00 14.31 N ATOM 1078 CA LEU A 71 0.611 5.789 -3.051 1.00 3.34 C ATOM 1079 C LEU A 71 0.123 7.078 -2.400 1.00 50.24 C ATOM 1080 O LEU A 71 -1.037 7.170 -1.994 1.00 11.10 O ATOM 1081 CB LEU A 71 0.432 5.886 -4.575 1.00 11.45 C ATOM 1082 CG LEU A 71 1.110 4.793 -5.416 1.00 23.01 C ATOM 1083 CD1 LEU A 71 0.433 3.443 -5.232 1.00 65.05 C ATOM 1084 CD2 LEU A 71 1.110 5.186 -6.886 1.00 43.01 C ATOM 0 H LEU A 71 -1.117 4.658 -2.726 1.00 14.31 H new ATOM 0 HA LEU A 71 1.670 5.643 -2.836 1.00 3.34 H new ATOM 0 HB2 LEU A 71 -0.636 5.872 -4.795 1.00 11.45 H new ATOM 0 HB3 LEU A 71 0.813 6.854 -4.902 1.00 11.45 H new ATOM 0 HG LEU A 71 2.139 4.698 -5.070 1.00 23.01 H new ATOM 0 HD11 LEU A 71 0.940 2.696 -5.842 1.00 65.05 H new ATOM 0 HD12 LEU A 71 0.484 3.150 -4.183 1.00 65.05 H new ATOM 0 HD13 LEU A 71 -0.611 3.514 -5.539 1.00 65.05 H new ATOM 0 HD21 LEU A 71 1.593 4.404 -7.472 1.00 43.01 H new ATOM 0 HD22 LEU A 71 0.083 5.314 -7.228 1.00 43.01 H new ATOM 0 HD23 LEU A 71 1.654 6.122 -7.012 1.00 43.01 H new ATOM 1096 N VAL A 72 1.000 8.065 -2.286 1.00 1.24 N ATOM 1097 CA VAL A 72 0.612 9.357 -1.729 1.00 40.11 C ATOM 1098 C VAL A 72 1.066 10.506 -2.628 1.00 55.10 C ATOM 1099 O VAL A 72 1.922 10.337 -3.502 1.00 72.02 O ATOM 1100 CB VAL A 72 1.146 9.579 -0.292 1.00 11.51 C ATOM 1101 CG1 VAL A 72 0.596 8.529 0.661 1.00 21.01 C ATOM 1102 CG2 VAL A 72 2.662 9.593 -0.262 1.00 14.31 C ATOM 0 H VAL A 72 1.978 7.999 -2.569 1.00 1.24 H new ATOM 0 HA VAL A 72 -0.477 9.345 -1.678 1.00 40.11 H new ATOM 0 HB VAL A 72 0.798 10.557 0.042 1.00 11.51 H new ATOM 0 HG11 VAL A 72 0.986 8.707 1.663 1.00 21.01 H new ATOM 0 HG12 VAL A 72 -0.492 8.589 0.679 1.00 21.01 H new ATOM 0 HG13 VAL A 72 0.899 7.538 0.325 1.00 21.01 H new ATOM 0 HG21 VAL A 72 3.004 9.751 0.761 1.00 14.31 H new ATOM 0 HG22 VAL A 72 3.042 8.639 -0.629 1.00 14.31 H new ATOM 0 HG23 VAL A 72 3.031 10.399 -0.896 1.00 14.31 H new ATOM 1112 N HIS A 73 0.477 11.668 -2.400 1.00 21.23 N ATOM 1113 CA HIS A 73 0.725 12.854 -3.208 1.00 63.23 C ATOM 1114 C HIS A 73 2.086 13.479 -2.859 1.00 52.41 C ATOM 1115 O HIS A 73 2.552 13.351 -1.732 1.00 12.33 O ATOM 1116 CB HIS A 73 -0.428 13.835 -2.973 1.00 62.24 C ATOM 1117 CG HIS A 73 -0.344 15.122 -3.730 1.00 23.24 C ATOM 1118 ND1 HIS A 73 -0.130 16.328 -3.113 1.00 31.50 N ATOM 1119 CD2 HIS A 73 -0.490 15.391 -5.046 1.00 33.13 C ATOM 1120 CE1 HIS A 73 -0.146 17.288 -4.015 1.00 43.51 C ATOM 1121 NE2 HIS A 73 -0.366 16.749 -5.203 1.00 62.15 N ATOM 0 H HIS A 73 -0.192 11.818 -1.644 1.00 21.23 H new ATOM 0 HA HIS A 73 0.768 12.591 -4.265 1.00 63.23 H new ATOM 0 HB2 HIS A 73 -1.363 13.340 -3.236 1.00 62.24 H new ATOM 0 HB3 HIS A 73 -0.477 14.063 -1.908 1.00 62.24 H new ATOM 0 HD1 HIS A 73 0.018 16.461 -2.113 1.00 31.50 H new ATOM 0 HD2 HIS A 73 -0.671 14.670 -5.830 1.00 33.13 H new ATOM 0 HE1 HIS A 73 -0.003 18.340 -3.817 1.00 43.51 H new ATOM 1130 N GLU A 74 2.706 14.142 -3.847 1.00 4.04 N ATOM 1131 CA GLU A 74 4.054 14.734 -3.725 1.00 73.03 C ATOM 1132 C GLU A 74 4.334 15.378 -2.366 1.00 10.35 C ATOM 1133 O GLU A 74 5.209 14.927 -1.630 1.00 54.33 O ATOM 1134 CB GLU A 74 4.267 15.788 -4.813 1.00 41.45 C ATOM 1135 CG GLU A 74 4.323 15.222 -6.222 1.00 70.12 C ATOM 1136 CD GLU A 74 5.479 14.262 -6.414 1.00 13.54 C ATOM 1137 OE1 GLU A 74 6.610 14.724 -6.663 1.00 60.31 O ATOM 1138 OE2 GLU A 74 5.264 13.039 -6.319 1.00 43.12 O ATOM 0 H GLU A 74 2.284 14.286 -4.764 1.00 4.04 H new ATOM 0 HA GLU A 74 4.748 13.900 -3.836 1.00 73.03 H new ATOM 0 HB2 GLU A 74 3.461 16.519 -4.758 1.00 41.45 H new ATOM 0 HB3 GLU A 74 5.195 16.322 -4.610 1.00 41.45 H new ATOM 0 HG2 GLU A 74 3.387 14.708 -6.441 1.00 70.12 H new ATOM 0 HG3 GLU A 74 4.412 16.041 -6.936 1.00 70.12 H new ATOM 1145 N ASP A 75 3.602 16.439 -2.041 1.00 60.54 N ATOM 1146 CA ASP A 75 3.862 17.207 -0.816 1.00 61.32 C ATOM 1147 C ASP A 75 3.542 16.379 0.426 1.00 64.22 C ATOM 1148 O ASP A 75 4.028 16.653 1.523 1.00 30.41 O ATOM 1149 CB ASP A 75 3.037 18.497 -0.814 1.00 41.44 C ATOM 1150 CG ASP A 75 3.344 19.398 0.372 1.00 13.01 C ATOM 1151 OD1 ASP A 75 4.524 19.486 0.773 1.00 65.03 O ATOM 1152 OD2 ASP A 75 2.411 20.059 0.884 1.00 35.31 O ATOM 0 H ASP A 75 2.826 16.790 -2.602 1.00 60.54 H new ATOM 0 HA ASP A 75 4.922 17.462 -0.794 1.00 61.32 H new ATOM 0 HB2 ASP A 75 3.227 19.044 -1.737 1.00 41.44 H new ATOM 0 HB3 ASP A 75 1.977 18.244 -0.806 1.00 41.44 H new ATOM 1157 N ASP A 76 2.754 15.342 0.225 1.00 51.42 N ATOM 1158 CA ASP A 76 2.297 14.485 1.306 1.00 1.35 C ATOM 1159 C ASP A 76 3.325 13.393 1.598 1.00 42.45 C ATOM 1160 O ASP A 76 3.256 12.728 2.633 1.00 23.35 O ATOM 1161 CB ASP A 76 0.952 13.853 0.933 1.00 24.21 C ATOM 1162 CG ASP A 76 -0.099 14.885 0.571 1.00 63.21 C ATOM 1163 OD1 ASP A 76 0.043 15.550 -0.484 1.00 71.42 O ATOM 1164 OD2 ASP A 76 -1.082 15.025 1.325 1.00 11.42 O ATOM 0 H ASP A 76 2.410 15.067 -0.695 1.00 51.42 H new ATOM 0 HA ASP A 76 2.174 15.091 2.204 1.00 1.35 H new ATOM 0 HB2 ASP A 76 1.095 13.175 0.092 1.00 24.21 H new ATOM 0 HB3 ASP A 76 0.593 13.253 1.769 1.00 24.21 H new ATOM 1169 N LEU A 77 4.275 13.219 0.676 1.00 70.51 N ATOM 1170 CA LEU A 77 5.339 12.219 0.821 1.00 74.10 C ATOM 1171 C LEU A 77 6.060 12.364 2.154 1.00 74.04 C ATOM 1172 O LEU A 77 6.099 11.426 2.951 1.00 54.23 O ATOM 1173 CB LEU A 77 6.364 12.349 -0.315 1.00 41.34 C ATOM 1174 CG LEU A 77 6.284 11.289 -1.421 1.00 53.34 C ATOM 1175 CD1 LEU A 77 6.458 9.900 -0.837 1.00 43.53 C ATOM 1176 CD2 LEU A 77 4.970 11.392 -2.176 1.00 4.33 C ATOM 0 H LEU A 77 4.330 13.762 -0.186 1.00 70.51 H new ATOM 0 HA LEU A 77 4.865 11.238 0.779 1.00 74.10 H new ATOM 0 HB2 LEU A 77 6.246 13.331 -0.772 1.00 41.34 H new ATOM 0 HB3 LEU A 77 7.363 12.317 0.119 1.00 41.34 H new ATOM 0 HG LEU A 77 7.094 11.471 -2.127 1.00 53.34 H new ATOM 0 HD11 LEU A 77 6.399 9.160 -1.635 1.00 43.53 H new ATOM 0 HD12 LEU A 77 7.430 9.830 -0.349 1.00 43.53 H new ATOM 0 HD13 LEU A 77 5.671 9.711 -0.107 1.00 43.53 H new ATOM 0 HD21 LEU A 77 4.937 10.630 -2.955 1.00 4.33 H new ATOM 0 HD22 LEU A 77 4.141 11.241 -1.485 1.00 4.33 H new ATOM 0 HD23 LEU A 77 4.888 12.379 -2.631 1.00 4.33 H new ATOM 1188 N ALA A 78 6.618 13.545 2.388 1.00 23.42 N ATOM 1189 CA ALA A 78 7.384 13.811 3.598 1.00 55.14 C ATOM 1190 C ALA A 78 6.545 13.561 4.842 1.00 51.22 C ATOM 1191 O ALA A 78 7.014 12.956 5.803 1.00 22.14 O ATOM 1192 CB ALA A 78 7.905 15.240 3.587 1.00 1.24 C ATOM 0 H ALA A 78 6.553 14.339 1.751 1.00 23.42 H new ATOM 0 HA ALA A 78 8.232 13.127 3.621 1.00 55.14 H new ATOM 0 HB1 ALA A 78 8.476 15.426 4.497 1.00 1.24 H new ATOM 0 HB2 ALA A 78 8.548 15.386 2.719 1.00 1.24 H new ATOM 0 HB3 ALA A 78 7.065 15.933 3.537 1.00 1.24 H new ATOM 1198 N GLY A 79 5.296 14.011 4.805 1.00 4.41 N ATOM 1199 CA GLY A 79 4.415 13.851 5.945 1.00 3.12 C ATOM 1200 C GLY A 79 4.117 12.396 6.250 1.00 21.43 C ATOM 1201 O GLY A 79 4.225 11.959 7.394 1.00 21.30 O ATOM 0 H GLY A 79 4.878 14.484 4.004 1.00 4.41 H new ATOM 0 HA2 GLY A 79 4.870 14.316 6.820 1.00 3.12 H new ATOM 0 HA3 GLY A 79 3.480 14.378 5.754 1.00 3.12 H new ATOM 1205 N ALA A 80 3.757 11.643 5.218 1.00 4.41 N ATOM 1206 CA ALA A 80 3.402 10.240 5.380 1.00 75.23 C ATOM 1207 C ALA A 80 4.597 9.413 5.834 1.00 13.30 C ATOM 1208 O ALA A 80 4.494 8.625 6.774 1.00 12.24 O ATOM 1209 CB ALA A 80 2.839 9.684 4.081 1.00 72.40 C ATOM 0 H ALA A 80 3.703 11.982 4.258 1.00 4.41 H new ATOM 0 HA ALA A 80 2.638 10.176 6.154 1.00 75.23 H new ATOM 0 HB1 ALA A 80 2.578 8.634 4.217 1.00 72.40 H new ATOM 0 HB2 ALA A 80 1.948 10.246 3.801 1.00 72.40 H new ATOM 0 HB3 ALA A 80 3.587 9.773 3.293 1.00 72.40 H new ATOM 1215 N ARG A 81 5.734 9.605 5.173 1.00 54.30 N ATOM 1216 CA ARG A 81 6.935 8.838 5.485 1.00 54.51 C ATOM 1217 C ARG A 81 7.417 9.148 6.898 1.00 11.13 C ATOM 1218 O ARG A 81 7.845 8.253 7.626 1.00 72.31 O ATOM 1219 CB ARG A 81 8.038 9.123 4.460 1.00 43.25 C ATOM 1220 CG ARG A 81 7.620 8.813 3.029 1.00 14.41 C ATOM 1221 CD ARG A 81 8.739 9.085 2.035 1.00 63.15 C ATOM 1222 NE ARG A 81 9.803 8.087 2.116 1.00 33.32 N ATOM 1223 CZ ARG A 81 10.651 7.817 1.124 1.00 11.14 C ATOM 1224 NH1 ARG A 81 10.568 8.474 -0.029 1.00 71.02 N ATOM 1225 NH2 ARG A 81 11.584 6.886 1.285 1.00 11.23 N ATOM 0 H ARG A 81 5.849 10.283 4.420 1.00 54.30 H new ATOM 0 HA ARG A 81 6.689 7.777 5.434 1.00 54.51 H new ATOM 0 HB2 ARG A 81 8.327 10.172 4.528 1.00 43.25 H new ATOM 0 HB3 ARG A 81 8.919 8.533 4.710 1.00 43.25 H new ATOM 0 HG2 ARG A 81 7.319 7.768 2.958 1.00 14.41 H new ATOM 0 HG3 ARG A 81 6.749 9.414 2.768 1.00 14.41 H new ATOM 0 HD2 ARG A 81 8.330 9.097 1.025 1.00 63.15 H new ATOM 0 HD3 ARG A 81 9.156 10.075 2.222 1.00 63.15 H new ATOM 0 HE ARG A 81 9.903 7.564 2.986 1.00 33.32 H new ATOM 0 HH11 ARG A 81 9.852 9.189 -0.158 1.00 71.02 H new ATOM 0 HH12 ARG A 81 11.220 8.263 -0.784 1.00 71.02 H new ATOM 0 HH21 ARG A 81 11.651 6.378 2.167 1.00 11.23 H new ATOM 0 HH22 ARG A 81 12.234 6.678 0.526 1.00 11.23 H new ATOM 1239 N ARG A 82 7.322 10.411 7.290 1.00 44.32 N ATOM 1240 CA ARG A 82 7.699 10.821 8.638 1.00 33.54 C ATOM 1241 C ARG A 82 6.747 10.209 9.667 1.00 30.31 C ATOM 1242 O ARG A 82 7.175 9.684 10.699 1.00 44.41 O ATOM 1243 CB ARG A 82 7.677 12.348 8.754 1.00 13.43 C ATOM 1244 CG ARG A 82 8.162 12.866 10.096 1.00 45.44 C ATOM 1245 CD ARG A 82 7.966 14.369 10.221 1.00 2.53 C ATOM 1246 NE ARG A 82 8.501 14.888 11.477 1.00 60.22 N ATOM 1247 CZ ARG A 82 7.767 15.493 12.413 1.00 64.20 C ATOM 1248 NH1 ARG A 82 6.464 15.685 12.229 1.00 5.42 N ATOM 1249 NH2 ARG A 82 8.338 15.933 13.530 1.00 20.14 N ATOM 0 H ARG A 82 6.988 11.169 6.696 1.00 44.32 H new ATOM 0 HA ARG A 82 8.710 10.464 8.836 1.00 33.54 H new ATOM 0 HB2 ARG A 82 8.298 12.772 7.965 1.00 13.43 H new ATOM 0 HB3 ARG A 82 6.660 12.702 8.584 1.00 13.43 H new ATOM 0 HG2 ARG A 82 7.624 12.361 10.898 1.00 45.44 H new ATOM 0 HG3 ARG A 82 9.218 12.625 10.220 1.00 45.44 H new ATOM 0 HD2 ARG A 82 8.455 14.869 9.385 1.00 2.53 H new ATOM 0 HD3 ARG A 82 6.903 14.603 10.155 1.00 2.53 H new ATOM 0 HE ARG A 82 9.501 14.781 11.650 1.00 60.22 H new ATOM 0 HH11 ARG A 82 6.019 15.369 11.368 1.00 5.42 H new ATOM 0 HH12 ARG A 82 5.910 16.148 12.949 1.00 5.42 H new ATOM 0 HH21 ARG A 82 9.340 15.809 13.674 1.00 20.14 H new ATOM 0 HH22 ARG A 82 7.774 16.395 14.243 1.00 20.14 H new ATOM 1263 N LEU A 83 5.459 10.264 9.359 1.00 73.52 N ATOM 1264 CA LEU A 83 4.422 9.777 10.257 1.00 63.44 C ATOM 1265 C LEU A 83 4.567 8.279 10.510 1.00 12.51 C ATOM 1266 O LEU A 83 4.523 7.823 11.658 1.00 11.15 O ATOM 1267 CB LEU A 83 3.044 10.076 9.666 1.00 41.42 C ATOM 1268 CG LEU A 83 1.857 9.742 10.572 1.00 3.12 C ATOM 1269 CD1 LEU A 83 1.901 10.585 11.834 1.00 11.33 C ATOM 1270 CD2 LEU A 83 0.549 9.962 9.830 1.00 24.43 C ATOM 0 H LEU A 83 5.104 10.646 8.482 1.00 73.52 H new ATOM 0 HA LEU A 83 4.529 10.292 11.212 1.00 63.44 H new ATOM 0 HB2 LEU A 83 2.998 11.135 9.411 1.00 41.42 H new ATOM 0 HB3 LEU A 83 2.937 9.519 8.735 1.00 41.42 H new ATOM 0 HG LEU A 83 1.921 8.692 10.857 1.00 3.12 H new ATOM 0 HD11 LEU A 83 1.050 10.336 12.468 1.00 11.33 H new ATOM 0 HD12 LEU A 83 2.827 10.384 12.374 1.00 11.33 H new ATOM 0 HD13 LEU A 83 1.858 11.641 11.568 1.00 11.33 H new ATOM 0 HD21 LEU A 83 -0.287 9.720 10.487 1.00 24.43 H new ATOM 0 HD22 LEU A 83 0.477 11.005 9.520 1.00 24.43 H new ATOM 0 HD23 LEU A 83 0.517 9.319 8.950 1.00 24.43 H new ATOM 1282 N LEU A 84 4.749 7.516 9.438 1.00 63.30 N ATOM 1283 CA LEU A 84 4.925 6.070 9.550 1.00 53.23 C ATOM 1284 C LEU A 84 6.189 5.733 10.337 1.00 31.21 C ATOM 1285 O LEU A 84 6.258 4.696 10.999 1.00 3.43 O ATOM 1286 CB LEU A 84 4.975 5.419 8.165 1.00 53.35 C ATOM 1287 CG LEU A 84 3.709 5.585 7.320 1.00 33.04 C ATOM 1288 CD1 LEU A 84 3.902 4.977 5.939 1.00 63.20 C ATOM 1289 CD2 LEU A 84 2.521 4.948 8.019 1.00 0.23 C ATOM 0 H LEU A 84 4.779 7.872 8.483 1.00 63.30 H new ATOM 0 HA LEU A 84 4.066 5.671 10.090 1.00 53.23 H new ATOM 0 HB2 LEU A 84 5.817 5.838 7.615 1.00 53.35 H new ATOM 0 HB3 LEU A 84 5.173 4.354 8.289 1.00 53.35 H new ATOM 0 HG LEU A 84 3.512 6.650 7.200 1.00 33.04 H new ATOM 0 HD11 LEU A 84 2.991 5.105 5.354 1.00 63.20 H new ATOM 0 HD12 LEU A 84 4.730 5.475 5.435 1.00 63.20 H new ATOM 0 HD13 LEU A 84 4.123 3.914 6.037 1.00 63.20 H new ATOM 0 HD21 LEU A 84 1.628 5.074 7.407 1.00 0.23 H new ATOM 0 HD22 LEU A 84 2.713 3.885 8.167 1.00 0.23 H new ATOM 0 HD23 LEU A 84 2.368 5.427 8.986 1.00 0.23 H new ATOM 1301 N THR A 85 7.178 6.620 10.277 1.00 32.44 N ATOM 1302 CA THR A 85 8.414 6.438 11.032 1.00 1.34 C ATOM 1303 C THR A 85 8.182 6.727 12.520 1.00 32.24 C ATOM 1304 O THR A 85 8.699 6.021 13.389 1.00 55.44 O ATOM 1305 CB THR A 85 9.540 7.350 10.494 1.00 34.21 C ATOM 1306 OG1 THR A 85 9.715 7.130 9.087 1.00 0.21 O ATOM 1307 CG2 THR A 85 10.854 7.083 11.218 1.00 1.54 C ATOM 0 H THR A 85 7.148 7.470 9.715 1.00 32.44 H new ATOM 0 HA THR A 85 8.724 5.400 10.911 1.00 1.34 H new ATOM 0 HB THR A 85 9.252 8.386 10.672 1.00 34.21 H new ATOM 0 HG1 THR A 85 9.123 7.730 8.586 1.00 0.21 H new ATOM 0 HG21 THR A 85 11.629 7.738 10.820 1.00 1.54 H new ATOM 0 HG22 THR A 85 10.728 7.276 12.283 1.00 1.54 H new ATOM 0 HG23 THR A 85 11.146 6.044 11.070 1.00 1.54 H new ATOM 1315 N ASP A 86 7.380 7.750 12.803 1.00 31.15 N ATOM 1316 CA ASP A 86 7.057 8.123 14.179 1.00 2.32 C ATOM 1317 C ASP A 86 6.230 7.031 14.854 1.00 51.52 C ATOM 1318 O ASP A 86 6.402 6.746 16.040 1.00 55.23 O ATOM 1319 CB ASP A 86 6.296 9.453 14.212 1.00 11.42 C ATOM 1320 CG ASP A 86 6.001 9.924 15.625 1.00 73.34 C ATOM 1321 OD1 ASP A 86 6.890 10.547 16.243 1.00 51.43 O ATOM 1322 OD2 ASP A 86 4.878 9.682 16.120 1.00 21.20 O ATOM 0 H ASP A 86 6.940 8.338 12.095 1.00 31.15 H new ATOM 0 HA ASP A 86 7.992 8.240 14.726 1.00 2.32 H new ATOM 0 HB2 ASP A 86 6.880 10.214 13.694 1.00 11.42 H new ATOM 0 HB3 ASP A 86 5.359 9.344 13.666 1.00 11.42 H new ATOM 1327 N ALA A 87 5.341 6.414 14.083 1.00 74.31 N ATOM 1328 CA ALA A 87 4.510 5.329 14.592 1.00 44.22 C ATOM 1329 C ALA A 87 5.279 4.010 14.616 1.00 63.31 C ATOM 1330 O ALA A 87 4.880 3.055 15.287 1.00 14.11 O ATOM 1331 CB ALA A 87 3.254 5.195 13.752 1.00 63.13 C ATOM 0 H ALA A 87 5.177 6.647 13.103 1.00 74.31 H new ATOM 0 HA ALA A 87 4.226 5.569 15.617 1.00 44.22 H new ATOM 0 HB1 ALA A 87 2.641 4.382 14.141 1.00 63.13 H new ATOM 0 HB2 ALA A 87 2.689 6.126 13.791 1.00 63.13 H new ATOM 0 HB3 ALA A 87 3.528 4.980 12.719 1.00 63.13 H new ATOM 1337 N GLY A 88 6.379 3.968 13.876 1.00 65.14 N ATOM 1338 CA GLY A 88 7.207 2.779 13.835 1.00 72.21 C ATOM 1339 C GLY A 88 6.635 1.696 12.944 1.00 2.10 C ATOM 1340 O GLY A 88 6.881 0.514 13.164 1.00 73.20 O ATOM 0 H GLY A 88 6.714 4.741 13.301 1.00 65.14 H new ATOM 0 HA2 GLY A 88 8.202 3.047 13.480 1.00 72.21 H new ATOM 0 HA3 GLY A 88 7.323 2.388 14.846 1.00 72.21 H new ATOM 1344 N LEU A 89 5.885 2.097 11.929 1.00 23.13 N ATOM 1345 CA LEU A 89 5.259 1.143 11.022 1.00 73.15 C ATOM 1346 C LEU A 89 6.015 1.082 9.702 1.00 44.14 C ATOM 1347 O LEU A 89 5.597 0.402 8.762 1.00 23.43 O ATOM 1348 CB LEU A 89 3.795 1.517 10.778 1.00 13.53 C ATOM 1349 CG LEU A 89 2.899 1.475 12.017 1.00 4.35 C ATOM 1350 CD1 LEU A 89 1.474 1.854 11.656 1.00 74.02 C ATOM 1351 CD2 LEU A 89 2.939 0.097 12.654 1.00 3.11 C ATOM 0 H LEU A 89 5.694 3.075 11.711 1.00 23.13 H new ATOM 0 HA LEU A 89 5.294 0.157 11.486 1.00 73.15 H new ATOM 0 HB2 LEU A 89 3.758 2.521 10.356 1.00 13.53 H new ATOM 0 HB3 LEU A 89 3.384 0.841 10.028 1.00 13.53 H new ATOM 0 HG LEU A 89 3.274 2.200 12.739 1.00 4.35 H new ATOM 0 HD11 LEU A 89 0.851 1.819 12.549 1.00 74.02 H new ATOM 0 HD12 LEU A 89 1.459 2.863 11.243 1.00 74.02 H new ATOM 0 HD13 LEU A 89 1.087 1.153 10.916 1.00 74.02 H new ATOM 0 HD21 LEU A 89 2.296 0.084 13.534 1.00 3.11 H new ATOM 0 HD22 LEU A 89 2.588 -0.645 11.937 1.00 3.11 H new ATOM 0 HD23 LEU A 89 3.962 -0.138 12.948 1.00 3.11 H new ATOM 1363 N ALA A 90 7.133 1.793 9.634 1.00 64.31 N ATOM 1364 CA ALA A 90 7.965 1.797 8.436 1.00 3.10 C ATOM 1365 C ALA A 90 8.771 0.507 8.336 1.00 52.31 C ATOM 1366 O ALA A 90 9.973 0.483 8.595 1.00 21.20 O ATOM 1367 CB ALA A 90 8.881 3.014 8.423 1.00 21.12 C ATOM 0 H ALA A 90 7.485 2.375 10.394 1.00 64.31 H new ATOM 0 HA ALA A 90 7.312 1.855 7.565 1.00 3.10 H new ATOM 0 HB1 ALA A 90 9.494 2.999 7.522 1.00 21.12 H new ATOM 0 HB2 ALA A 90 8.279 3.923 8.437 1.00 21.12 H new ATOM 0 HB3 ALA A 90 9.527 2.993 9.301 1.00 21.12 H new ATOM 1373 N HIS A 91 8.083 -0.579 8.004 1.00 63.11 N ATOM 1374 CA HIS A 91 8.724 -1.881 7.851 1.00 63.14 C ATOM 1375 C HIS A 91 8.337 -2.510 6.520 1.00 43.44 C ATOM 1376 O HIS A 91 9.138 -3.195 5.885 1.00 3.05 O ATOM 1377 CB HIS A 91 8.320 -2.831 8.986 1.00 54.12 C ATOM 1378 CG HIS A 91 8.704 -2.362 10.353 1.00 54.51 C ATOM 1379 ND1 HIS A 91 7.868 -2.473 11.443 1.00 20.22 N ATOM 1380 CD2 HIS A 91 9.845 -1.797 10.812 1.00 30.34 C ATOM 1381 CE1 HIS A 91 8.476 -1.995 12.511 1.00 4.32 C ATOM 1382 NE2 HIS A 91 9.676 -1.578 12.154 1.00 44.14 N ATOM 0 H HIS A 91 7.077 -0.584 7.835 1.00 63.11 H new ATOM 0 HA HIS A 91 9.802 -1.723 7.885 1.00 63.14 H new ATOM 0 HB2 HIS A 91 7.240 -2.975 8.955 1.00 54.12 H new ATOM 0 HB3 HIS A 91 8.777 -3.805 8.808 1.00 54.12 H new ATOM 0 HD2 HIS A 91 10.724 -1.563 10.230 1.00 30.34 H new ATOM 0 HE1 HIS A 91 8.062 -1.952 13.508 1.00 4.32 H new ATOM 0 HE2 HIS A 91 10.367 -1.160 12.777 1.00 44.14 H new ATOM 1391 N GLU A 92 7.104 -2.252 6.101 1.00 15.02 N ATOM 1392 CA GLU A 92 6.551 -2.861 4.897 1.00 0.31 C ATOM 1393 C GLU A 92 6.656 -1.913 3.707 1.00 54.24 C ATOM 1394 O GLU A 92 6.100 -2.175 2.638 1.00 63.34 O ATOM 1395 CB GLU A 92 5.087 -3.234 5.136 1.00 20.10 C ATOM 1396 CG GLU A 92 4.873 -4.133 6.342 1.00 75.02 C ATOM 1397 CD GLU A 92 5.579 -5.462 6.209 1.00 43.25 C ATOM 1398 OE1 GLU A 92 5.261 -6.216 5.266 1.00 52.41 O ATOM 1399 OE2 GLU A 92 6.458 -5.757 7.042 1.00 63.50 O ATOM 0 H GLU A 92 6.464 -1.620 6.582 1.00 15.02 H new ATOM 0 HA GLU A 92 7.126 -3.759 4.669 1.00 0.31 H new ATOM 0 HB2 GLU A 92 4.506 -2.321 5.267 1.00 20.10 H new ATOM 0 HB3 GLU A 92 4.699 -3.734 4.248 1.00 20.10 H new ATOM 0 HG2 GLU A 92 5.230 -3.624 7.238 1.00 75.02 H new ATOM 0 HG3 GLU A 92 3.805 -4.305 6.477 1.00 75.02 H new ATOM 1406 N LEU A 93 7.366 -0.809 3.894 1.00 34.33 N ATOM 1407 CA LEU A 93 7.526 0.177 2.839 1.00 65.40 C ATOM 1408 C LEU A 93 8.616 -0.268 1.879 1.00 3.14 C ATOM 1409 O LEU A 93 9.762 -0.478 2.287 1.00 13.41 O ATOM 1410 CB LEU A 93 7.863 1.560 3.413 1.00 4.21 C ATOM 1411 CG LEU A 93 6.712 2.300 4.115 1.00 51.12 C ATOM 1412 CD1 LEU A 93 6.300 1.607 5.402 1.00 2.32 C ATOM 1413 CD2 LEU A 93 7.108 3.739 4.397 1.00 12.12 C ATOM 0 H LEU A 93 7.839 -0.575 4.767 1.00 34.33 H new ATOM 0 HA LEU A 93 6.580 0.258 2.303 1.00 65.40 H new ATOM 0 HB2 LEU A 93 8.682 1.446 4.124 1.00 4.21 H new ATOM 0 HB3 LEU A 93 8.230 2.188 2.601 1.00 4.21 H new ATOM 0 HG LEU A 93 5.853 2.288 3.444 1.00 51.12 H new ATOM 0 HD11 LEU A 93 5.485 2.160 5.868 1.00 2.32 H new ATOM 0 HD12 LEU A 93 5.970 0.592 5.179 1.00 2.32 H new ATOM 0 HD13 LEU A 93 7.150 1.570 6.084 1.00 2.32 H new ATOM 0 HD21 LEU A 93 6.285 4.252 4.894 1.00 12.12 H new ATOM 0 HD22 LEU A 93 7.987 3.755 5.041 1.00 12.12 H new ATOM 0 HD23 LEU A 93 7.337 4.244 3.459 1.00 12.12 H new ATOM 1425 N ARG A 94 8.263 -0.418 0.607 1.00 32.44 N ATOM 1426 CA ARG A 94 9.215 -0.881 -0.387 1.00 65.02 C ATOM 1427 C ARG A 94 10.119 0.260 -0.824 1.00 20.11 C ATOM 1428 O ARG A 94 9.893 0.904 -1.850 1.00 12.13 O ATOM 1429 CB ARG A 94 8.520 -1.506 -1.603 1.00 52.34 C ATOM 1430 CG ARG A 94 9.500 -2.082 -2.614 1.00 22.34 C ATOM 1431 CD ARG A 94 8.787 -2.765 -3.765 1.00 42.44 C ATOM 1432 NE ARG A 94 9.724 -3.312 -4.740 1.00 3.31 N ATOM 1433 CZ ARG A 94 9.448 -4.347 -5.533 1.00 14.33 C ATOM 1434 NH1 ARG A 94 8.290 -4.991 -5.415 1.00 31.10 N ATOM 1435 NH2 ARG A 94 10.342 -4.754 -6.424 1.00 50.24 N ATOM 0 H ARG A 94 7.329 -0.226 0.245 1.00 32.44 H new ATOM 0 HA ARG A 94 9.819 -1.660 0.079 1.00 65.02 H new ATOM 0 HB2 ARG A 94 7.848 -2.295 -1.265 1.00 52.34 H new ATOM 0 HB3 ARG A 94 7.904 -0.751 -2.091 1.00 52.34 H new ATOM 0 HG2 ARG A 94 10.133 -1.284 -3.001 1.00 22.34 H new ATOM 0 HG3 ARG A 94 10.156 -2.797 -2.117 1.00 22.34 H new ATOM 0 HD2 ARG A 94 8.158 -3.566 -3.378 1.00 42.44 H new ATOM 0 HD3 ARG A 94 8.127 -2.051 -4.257 1.00 42.44 H new ATOM 0 HE ARG A 94 10.643 -2.877 -4.819 1.00 3.31 H new ATOM 0 HH11 ARG A 94 7.610 -4.693 -4.716 1.00 31.10 H new ATOM 0 HH12 ARG A 94 8.082 -5.783 -6.024 1.00 31.10 H new ATOM 0 HH21 ARG A 94 11.239 -4.275 -6.502 1.00 50.24 H new ATOM 0 HH22 ARG A 94 10.132 -5.546 -7.032 1.00 50.24 H new ATOM 1449 N SER A 95 11.115 0.534 -0.005 1.00 24.35 N ATOM 1450 CA SER A 95 12.118 1.522 -0.334 1.00 40.14 C ATOM 1451 C SER A 95 13.447 0.821 -0.561 1.00 51.45 C ATOM 1452 O SER A 95 14.259 0.688 0.355 1.00 71.35 O ATOM 1453 CB SER A 95 12.236 2.574 0.782 1.00 5.35 C ATOM 1454 OG SER A 95 13.192 3.580 0.468 1.00 3.11 O ATOM 0 H SER A 95 11.250 0.081 0.899 1.00 24.35 H new ATOM 0 HA SER A 95 11.826 2.044 -1.245 1.00 40.14 H new ATOM 0 HB2 SER A 95 11.263 3.037 0.948 1.00 5.35 H new ATOM 0 HB3 SER A 95 12.518 2.084 1.714 1.00 5.35 H new ATOM 0 HG SER A 95 13.435 3.516 -0.479 1.00 3.11 H new ATOM 1460 N ASP A 96 13.633 0.319 -1.776 1.00 75.33 N ATOM 1461 CA ASP A 96 14.886 -0.323 -2.151 1.00 3.14 C ATOM 1462 C ASP A 96 16.001 0.708 -2.123 1.00 41.14 C ATOM 1463 O ASP A 96 17.141 0.415 -1.763 1.00 34.42 O ATOM 1464 CB ASP A 96 14.785 -0.946 -3.547 1.00 14.23 C ATOM 1465 CG ASP A 96 13.680 -1.980 -3.658 1.00 14.24 C ATOM 1466 OD1 ASP A 96 13.811 -3.070 -3.065 1.00 4.44 O ATOM 1467 OD2 ASP A 96 12.673 -1.706 -4.350 1.00 51.33 O ATOM 0 H ASP A 96 12.933 0.344 -2.517 1.00 75.33 H new ATOM 0 HA ASP A 96 15.101 -1.121 -1.440 1.00 3.14 H new ATOM 0 HB2 ASP A 96 14.611 -0.157 -4.279 1.00 14.23 H new ATOM 0 HB3 ASP A 96 15.737 -1.412 -3.800 1.00 14.23 H new ATOM 1472 N ASP A 97 15.642 1.925 -2.494 1.00 52.12 N ATOM 1473 CA ASP A 97 16.548 3.058 -2.459 1.00 44.10 C ATOM 1474 C ASP A 97 15.779 4.302 -2.046 1.00 30.42 C ATOM 1475 O ASP A 97 14.543 4.199 -1.864 1.00 0.00 O ATOM 1476 CB ASP A 97 17.234 3.263 -3.818 1.00 4.43 C ATOM 1477 CG ASP A 97 16.257 3.337 -4.977 1.00 52.22 C ATOM 1478 OD1 ASP A 97 15.730 4.432 -5.257 1.00 24.41 O ATOM 1479 OD2 ASP A 97 16.015 2.294 -5.625 1.00 71.41 O ATOM 1480 OXT ASP A 97 16.401 5.369 -1.871 1.00 0.00 O ATOM 0 H ASP A 97 14.707 2.155 -2.830 1.00 52.12 H new ATOM 0 HA ASP A 97 17.332 2.862 -1.728 1.00 44.10 H new ATOM 0 HB2 ASP A 97 17.820 4.181 -3.787 1.00 4.43 H new ATOM 0 HB3 ASP A 97 17.933 2.445 -3.992 1.00 4.43 H new TER 1485 ASP A 97