USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= -1.19 K(o=-3.9,f=-11!) USER MOD Set 1.2: A 15 LYS NZ :NH3+ -110:sc= -0.012 (180deg=-0.118) USER MOD Set 1.3: A 16 HIS : no HE2:sc= -2.69 K(o=-3.9,f=-8.4!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -170:sc= -1.78! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -130:sc= 0.0206 USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.341 (180deg=-0.989) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 151:sc= -0.0902 (180deg=-0.616) USER MOD Single : A 36 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00046 USER MOD Single : A 44 MET CE :methyl -146:sc= -2.9 (180deg=-6.31!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000115 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.5!) USER MOD Single : A 70 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 159:sc= -0.0841 (180deg=-0.541) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 176:sc= -2.14! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 5.734 14.401 28.507 1.00 0.00 N ATOM 34 CA LYS A 3 7.079 14.138 29.009 1.00 0.00 C ATOM 35 C LYS A 3 7.864 15.438 29.133 1.00 0.00 C ATOM 36 O LYS A 3 8.733 15.729 28.311 1.00 0.00 O ATOM 37 CB LYS A 3 7.806 13.181 28.070 1.00 0.00 C ATOM 38 CG LYS A 3 8.878 12.388 28.811 1.00 0.00 C ATOM 39 CD LYS A 3 9.016 10.977 28.244 1.00 0.00 C ATOM 40 CE LYS A 3 10.307 10.316 28.716 1.00 0.00 C ATOM 41 NZ LYS A 3 10.898 9.456 27.652 1.00 0.00 N ATOM 0 HA LYS A 3 7.000 13.682 29.996 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.089 12.495 27.619 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.264 13.744 27.256 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.834 12.907 28.737 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.626 12.334 29.870 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.162 10.374 28.552 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.002 11.017 27.155 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.025 11.083 29.007 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.107 9.714 29.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.775 9.021 28.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.221 8.710 27.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.111 10.036 26.815 1.00 0.00 H new ATOM 55 N VAL A 4 7.553 16.216 30.164 1.00 0.00 N ATOM 56 CA VAL A 4 8.230 17.486 30.398 1.00 0.00 C ATOM 57 C VAL A 4 9.413 17.291 31.336 1.00 0.00 C ATOM 58 O VAL A 4 9.600 16.213 31.899 1.00 0.00 O ATOM 59 CB VAL A 4 7.253 18.492 30.997 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.157 18.836 29.993 1.00 0.00 C ATOM 61 CG2 VAL A 4 6.647 17.950 32.289 1.00 0.00 C ATOM 0 H VAL A 4 6.835 15.989 30.852 1.00 0.00 H new ATOM 0 HA VAL A 4 8.598 17.867 29.445 1.00 0.00 H new ATOM 0 HB VAL A 4 7.801 19.404 31.233 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.469 19.555 30.438 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.606 19.268 29.099 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.612 17.931 29.725 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.953 18.683 32.701 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.114 17.023 32.080 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.441 17.757 33.010 1.00 0.00 H new ATOM 71 N THR A 5 10.211 18.341 31.500 1.00 0.00 N ATOM 72 CA THR A 5 11.379 18.287 32.372 1.00 0.00 C ATOM 73 C THR A 5 11.866 19.694 32.695 1.00 0.00 C ATOM 74 O THR A 5 11.988 20.539 31.808 1.00 0.00 O ATOM 75 CB THR A 5 12.497 17.494 31.700 1.00 0.00 C ATOM 76 OG1 THR A 5 12.572 17.834 30.324 1.00 0.00 O ATOM 77 CG2 THR A 5 12.269 15.994 31.856 1.00 0.00 C ATOM 0 H THR A 5 10.070 19.240 31.040 1.00 0.00 H new ATOM 0 HA THR A 5 11.097 17.791 33.301 1.00 0.00 H new ATOM 0 HB THR A 5 13.439 17.749 32.185 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.292 17.323 29.900 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.079 15.450 31.369 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.245 15.738 32.915 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.320 15.720 31.395 1.00 0.00 H new ATOM 85 N PHE A 6 12.146 19.938 33.971 1.00 0.00 N ATOM 86 CA PHE A 6 12.624 21.242 34.415 1.00 0.00 C ATOM 87 C PHE A 6 14.144 21.243 34.491 1.00 0.00 C ATOM 88 O PHE A 6 14.796 20.309 34.024 1.00 0.00 O ATOM 89 CB PHE A 6 12.028 21.579 35.780 1.00 0.00 C ATOM 90 CG PHE A 6 10.523 21.478 35.797 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.914 20.233 35.823 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.747 22.627 35.782 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.534 20.137 35.833 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.365 22.529 35.791 1.00 0.00 C ATOM 95 CZ PHE A 6 7.759 21.283 35.816 1.00 0.00 C ATOM 0 H PHE A 6 12.050 19.249 34.717 1.00 0.00 H new ATOM 0 HA PHE A 6 12.309 21.998 33.696 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.442 20.905 36.530 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.324 22.589 36.062 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.517 19.337 35.835 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.220 23.598 35.763 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.061 19.166 35.854 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.760 23.424 35.779 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.682 21.206 35.822 1.00 0.00 H new ATOM 105 N THR A 7 14.707 22.294 35.077 1.00 0.00 N ATOM 106 CA THR A 7 16.156 22.407 35.206 1.00 0.00 C ATOM 107 C THR A 7 16.519 23.499 36.202 1.00 0.00 C ATOM 108 O THR A 7 16.423 24.688 35.897 1.00 0.00 O ATOM 109 CB THR A 7 16.778 22.719 33.847 1.00 0.00 C ATOM 110 OG1 THR A 7 15.858 22.416 32.809 1.00 0.00 O ATOM 111 CG2 THR A 7 18.069 21.929 33.649 1.00 0.00 C ATOM 0 H THR A 7 14.185 23.077 35.469 1.00 0.00 H new ATOM 0 HA THR A 7 16.547 21.457 35.571 1.00 0.00 H new ATOM 0 HB THR A 7 17.016 23.782 33.814 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.314 22.467 31.943 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.495 22.167 32.674 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.781 22.194 34.431 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.854 20.862 33.700 1.00 0.00 H new ATOM 119 N VAL A 8 16.940 23.090 37.394 1.00 0.00 N ATOM 120 CA VAL A 8 17.322 24.037 38.435 1.00 0.00 C ATOM 121 C VAL A 8 18.392 24.985 37.915 1.00 0.00 C ATOM 122 O VAL A 8 19.586 24.696 37.995 1.00 0.00 O ATOM 123 CB VAL A 8 17.836 23.285 39.659 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.272 24.264 40.746 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.765 22.337 40.188 1.00 0.00 C ATOM 0 H VAL A 8 17.025 22.110 37.663 1.00 0.00 H new ATOM 0 HA VAL A 8 16.447 24.621 38.720 1.00 0.00 H new ATOM 0 HB VAL A 8 18.703 22.695 39.363 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.635 23.709 41.611 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.069 24.902 40.363 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.424 24.881 41.041 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.147 21.808 41.061 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.880 22.908 40.468 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.502 21.617 39.413 1.00 0.00 H new ATOM 135 N GLU A 9 17.957 26.119 37.376 1.00 0.00 N ATOM 136 CA GLU A 9 18.875 27.114 36.833 1.00 0.00 C ATOM 137 C GLU A 9 19.723 27.722 37.943 1.00 0.00 C ATOM 138 O GLU A 9 19.464 27.507 39.127 1.00 0.00 O ATOM 139 CB GLU A 9 18.090 28.208 36.115 1.00 0.00 C ATOM 140 CG GLU A 9 17.509 27.702 34.795 1.00 0.00 C ATOM 141 CD GLU A 9 18.609 27.110 33.924 1.00 0.00 C ATOM 142 OE1 GLU A 9 18.923 25.913 34.093 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.157 27.844 33.075 1.00 0.00 O ATOM 0 H GLU A 9 16.972 26.372 37.303 1.00 0.00 H new ATOM 0 HA GLU A 9 19.539 26.624 36.121 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.284 28.561 36.758 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.742 29.060 35.924 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.746 26.948 34.991 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.020 28.521 34.268 1.00 0.00 H new ATOM 150 N LYS A 10 20.741 28.481 37.549 1.00 0.00 N ATOM 151 CA LYS A 10 21.640 29.126 38.503 1.00 0.00 C ATOM 152 C LYS A 10 20.892 30.137 39.370 1.00 0.00 C ATOM 153 O LYS A 10 21.402 30.572 40.402 1.00 0.00 O ATOM 154 CB LYS A 10 22.770 29.825 37.755 1.00 0.00 C ATOM 155 CG LYS A 10 24.044 29.871 38.594 1.00 0.00 C ATOM 156 CD LYS A 10 25.274 29.542 37.752 1.00 0.00 C ATOM 157 CE LYS A 10 26.517 29.390 38.624 1.00 0.00 C ATOM 158 NZ LYS A 10 27.724 29.098 37.800 1.00 0.00 N ATOM 0 H LYS A 10 20.965 28.666 36.571 1.00 0.00 H new ATOM 0 HA LYS A 10 22.052 28.357 39.156 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.967 29.303 36.819 1.00 0.00 H new ATOM 0 HB3 LYS A 10 22.465 30.839 37.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.156 30.862 39.035 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.965 29.163 39.419 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.101 28.620 37.197 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.436 30.331 37.017 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.677 30.304 39.196 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.363 28.587 39.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.553 29.000 38.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.579 28.213 37.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.884 29.877 37.130 1.00 0.00 H new ATOM 172 N GLY A 11 19.684 30.513 38.952 1.00 0.00 N ATOM 173 CA GLY A 11 18.877 31.478 39.698 1.00 0.00 C ATOM 174 C GLY A 11 18.867 31.154 41.188 1.00 0.00 C ATOM 175 O GLY A 11 18.711 32.044 42.025 1.00 0.00 O ATOM 0 H GLY A 11 19.243 30.164 38.101 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.272 32.482 39.544 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.856 31.475 39.316 1.00 0.00 H new ATOM 179 N SER A 12 19.035 29.877 41.515 1.00 0.00 N ATOM 180 CA SER A 12 19.047 29.436 42.906 1.00 0.00 C ATOM 181 C SER A 12 20.323 29.900 43.598 1.00 0.00 C ATOM 182 O SER A 12 21.423 29.723 43.075 1.00 0.00 O ATOM 183 CB SER A 12 18.947 27.914 42.969 1.00 0.00 C ATOM 184 OG SER A 12 18.193 27.419 41.873 1.00 0.00 O ATOM 0 H SER A 12 19.165 29.128 40.835 1.00 0.00 H new ATOM 0 HA SER A 12 18.191 29.874 43.419 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.946 27.477 42.958 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.478 27.613 43.906 1.00 0.00 H new ATOM 0 HG SER A 12 17.504 26.804 42.201 1.00 0.00 H new ATOM 190 N ASN A 13 20.171 30.496 44.777 1.00 0.00 N ATOM 191 CA ASN A 13 21.317 30.988 45.543 1.00 0.00 C ATOM 192 C ASN A 13 21.067 30.825 47.040 1.00 0.00 C ATOM 193 O ASN A 13 21.454 29.818 47.633 1.00 0.00 O ATOM 194 CB ASN A 13 21.615 32.458 45.209 1.00 0.00 C ATOM 195 CG ASN A 13 20.348 33.208 44.803 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.413 33.341 45.593 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.320 33.698 43.569 1.00 0.00 N ATOM 0 H ASN A 13 19.268 30.651 45.224 1.00 0.00 H new ATOM 0 HA ASN A 13 22.188 30.394 45.265 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.066 32.945 46.074 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.344 32.508 44.400 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.500 34.209 43.242 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.118 33.564 42.949 1.00 0.00 H new ATOM 204 N GLU A 14 20.418 31.813 47.651 1.00 0.00 N ATOM 205 CA GLU A 14 20.120 31.763 49.080 1.00 0.00 C ATOM 206 C GLU A 14 18.874 30.924 49.326 1.00 0.00 C ATOM 207 O GLU A 14 18.943 29.848 49.920 1.00 0.00 O ATOM 208 CB GLU A 14 19.907 33.174 49.624 1.00 0.00 C ATOM 209 CG GLU A 14 20.934 34.150 49.060 1.00 0.00 C ATOM 210 CD GLU A 14 22.342 33.708 49.434 1.00 0.00 C ATOM 211 OE1 GLU A 14 22.771 33.988 50.573 1.00 0.00 O ATOM 212 OE2 GLU A 14 23.014 33.081 48.588 1.00 0.00 O ATOM 0 H GLU A 14 20.089 32.656 47.180 1.00 0.00 H new ATOM 0 HA GLU A 14 20.965 31.307 49.596 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.903 33.515 49.372 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.975 33.160 50.712 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.838 34.203 47.976 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.745 35.151 49.446 1.00 0.00 H new ATOM 219 N LYS A 15 17.736 31.424 48.859 1.00 0.00 N ATOM 220 CA LYS A 15 16.465 30.725 49.017 1.00 0.00 C ATOM 221 C LYS A 15 15.653 30.812 47.731 1.00 0.00 C ATOM 222 O LYS A 15 14.425 30.735 47.754 1.00 0.00 O ATOM 223 CB LYS A 15 15.669 31.320 50.181 1.00 0.00 C ATOM 224 CG LYS A 15 15.850 32.835 50.280 1.00 0.00 C ATOM 225 CD LYS A 15 15.374 33.538 49.011 1.00 0.00 C ATOM 226 CE LYS A 15 14.693 34.864 49.337 1.00 0.00 C ATOM 227 NZ LYS A 15 14.149 35.511 48.109 1.00 0.00 N ATOM 0 H LYS A 15 17.667 32.314 48.366 1.00 0.00 H new ATOM 0 HA LYS A 15 16.671 29.677 49.234 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.612 31.088 50.054 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.987 30.855 51.114 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.294 33.214 51.138 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.901 33.067 50.454 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.222 33.715 48.350 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.680 32.892 48.473 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.886 34.695 50.049 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.407 35.533 49.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.709 36.358 47.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.199 34.843 47.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.158 35.784 48.270 1.00 0.00 H new ATOM 241 N HIS A 16 16.348 30.972 46.608 1.00 0.00 N ATOM 242 CA HIS A 16 15.695 31.068 45.307 1.00 0.00 C ATOM 243 C HIS A 16 15.642 29.699 44.642 1.00 0.00 C ATOM 244 O HIS A 16 16.602 28.931 44.707 1.00 0.00 O ATOM 245 CB HIS A 16 16.452 32.047 44.414 1.00 0.00 C ATOM 246 CG HIS A 16 16.367 33.462 44.896 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.972 33.905 46.044 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.745 34.556 44.384 1.00 0.00 C ATOM 249 CE1 HIS A 16 16.743 35.184 46.234 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.992 35.618 45.234 1.00 0.00 N ATOM 0 H HIS A 16 17.365 31.038 46.574 1.00 0.00 H new ATOM 0 HA HIS A 16 14.677 31.430 45.453 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.499 31.749 44.362 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.054 31.989 43.401 1.00 0.00 H new ATOM 0 HD1 HIS A 16 17.527 33.319 46.668 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.162 34.590 43.476 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.104 35.778 47.061 1.00 0.00 H new ATOM 258 N LEU A 17 14.518 29.399 44.002 1.00 0.00 N ATOM 259 CA LEU A 17 14.344 28.120 43.323 1.00 0.00 C ATOM 260 C LEU A 17 13.979 28.344 41.862 1.00 0.00 C ATOM 261 O LEU A 17 12.802 28.430 41.510 1.00 0.00 O ATOM 262 CB LEU A 17 13.255 27.303 44.016 1.00 0.00 C ATOM 263 CG LEU A 17 13.496 25.804 43.857 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.370 25.392 42.393 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.867 25.417 44.404 1.00 0.00 C ATOM 0 H LEU A 17 13.714 30.023 43.939 1.00 0.00 H new ATOM 0 HA LEU A 17 15.283 27.569 43.369 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.226 27.558 45.075 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.282 27.563 43.599 1.00 0.00 H new ATOM 0 HG LEU A 17 12.736 25.274 44.431 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.545 24.320 42.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.369 25.628 42.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.106 25.933 41.798 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.018 24.345 44.281 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.642 25.958 43.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.922 25.672 45.462 1.00 0.00 H new ATOM 277 N ALA A 18 14.998 28.442 41.014 1.00 0.00 N ATOM 278 CA ALA A 18 14.791 28.661 39.586 1.00 0.00 C ATOM 279 C ALA A 18 14.682 27.330 38.852 1.00 0.00 C ATOM 280 O ALA A 18 15.225 26.319 39.296 1.00 0.00 O ATOM 281 CB ALA A 18 15.948 29.474 39.013 1.00 0.00 C ATOM 0 H ALA A 18 15.977 28.373 41.291 1.00 0.00 H new ATOM 0 HA ALA A 18 13.860 29.212 39.450 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.787 29.634 37.947 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.002 30.437 39.520 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.882 28.932 39.162 1.00 0.00 H new ATOM 287 N VAL A 19 13.978 27.340 37.725 1.00 0.00 N ATOM 288 CA VAL A 19 13.797 26.136 36.919 1.00 0.00 C ATOM 289 C VAL A 19 13.764 26.498 35.440 1.00 0.00 C ATOM 290 O VAL A 19 13.138 27.483 35.048 1.00 0.00 O ATOM 291 CB VAL A 19 12.499 25.435 37.307 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.647 24.734 38.654 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.345 26.431 37.346 1.00 0.00 C ATOM 0 H VAL A 19 13.522 28.171 37.347 1.00 0.00 H new ATOM 0 HA VAL A 19 14.634 25.462 37.103 1.00 0.00 H new ATOM 0 HB VAL A 19 12.278 24.681 36.552 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.710 24.240 38.912 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.443 23.992 38.593 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.894 25.468 39.421 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.427 25.914 37.624 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.560 27.208 38.079 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.222 26.884 36.362 1.00 0.00 H new ATOM 303 N LEU A 20 14.440 25.699 34.622 1.00 0.00 N ATOM 304 CA LEU A 20 14.485 25.942 33.185 1.00 0.00 C ATOM 305 C LEU A 20 13.475 25.058 32.462 1.00 0.00 C ATOM 306 O LEU A 20 13.820 24.363 31.506 1.00 0.00 O ATOM 307 CB LEU A 20 15.888 25.668 32.651 1.00 0.00 C ATOM 308 CG LEU A 20 16.254 26.649 31.541 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.661 26.369 31.020 1.00 0.00 C ATOM 310 CD2 LEU A 20 15.237 26.576 30.405 1.00 0.00 C ATOM 0 H LEU A 20 14.963 24.879 34.929 1.00 0.00 H new ATOM 0 HA LEU A 20 14.230 26.986 33.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.611 25.746 33.463 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.943 24.648 32.272 1.00 0.00 H new ATOM 0 HG LEU A 20 16.236 27.658 31.954 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.904 27.079 30.229 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.378 26.474 31.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.707 25.355 30.624 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.514 27.282 29.623 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.222 25.567 29.994 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.247 26.827 30.786 1.00 0.00 H new ATOM 322 N VAL A 21 12.227 25.087 32.921 1.00 0.00 N ATOM 323 CA VAL A 21 11.171 24.284 32.311 1.00 0.00 C ATOM 324 C VAL A 21 11.105 24.553 30.811 1.00 0.00 C ATOM 325 O VAL A 21 10.659 25.615 30.378 1.00 0.00 O ATOM 326 CB VAL A 21 9.825 24.594 32.968 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.573 26.090 32.998 1.00 0.00 C ATOM 328 CG2 VAL A 21 8.685 23.869 32.254 1.00 0.00 C ATOM 0 H VAL A 21 11.922 25.656 33.711 1.00 0.00 H new ATOM 0 HA VAL A 21 11.398 23.229 32.465 1.00 0.00 H new ATOM 0 HB VAL A 21 9.863 24.232 33.996 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.610 26.287 33.469 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.363 26.581 33.567 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.565 26.478 31.979 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.740 24.107 32.742 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.646 24.189 31.213 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.854 22.793 32.297 1.00 0.00 H new ATOM 338 N LYS A 22 11.552 23.579 30.024 1.00 0.00 N ATOM 339 CA LYS A 22 11.546 23.700 28.570 1.00 0.00 C ATOM 340 C LYS A 22 11.984 22.389 27.930 1.00 0.00 C ATOM 341 O LYS A 22 13.089 21.906 28.177 1.00 0.00 O ATOM 342 CB LYS A 22 12.479 24.828 28.137 1.00 0.00 C ATOM 343 CG LYS A 22 11.730 25.888 27.333 1.00 0.00 C ATOM 344 CD LYS A 22 12.338 26.063 25.944 1.00 0.00 C ATOM 345 CE LYS A 22 13.575 26.956 25.988 1.00 0.00 C ATOM 346 NZ LYS A 22 14.771 26.202 26.459 1.00 0.00 N ATOM 0 H LYS A 22 11.924 22.695 30.370 1.00 0.00 H new ATOM 0 HA LYS A 22 10.532 23.930 28.241 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.931 25.287 29.016 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.292 24.420 27.537 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.682 25.604 27.240 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.757 26.838 27.866 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.605 25.088 25.536 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.597 26.497 25.273 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.767 27.364 24.996 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.392 27.802 26.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.634 26.694 26.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.757 26.142 27.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.758 25.243 26.057 1.00 0.00 H new ATOM 360 N TYR A 23 11.112 21.815 27.108 1.00 0.00 N ATOM 361 CA TYR A 23 11.409 20.555 26.434 1.00 0.00 C ATOM 362 C TYR A 23 11.190 20.680 24.928 1.00 0.00 C ATOM 363 O TYR A 23 11.039 19.676 24.233 1.00 0.00 O ATOM 364 CB TYR A 23 10.522 19.447 26.994 1.00 0.00 C ATOM 365 CG TYR A 23 9.070 19.846 27.075 1.00 0.00 C ATOM 366 CD1 TYR A 23 8.604 20.548 28.173 1.00 0.00 C ATOM 367 CD2 TYR A 23 8.201 19.512 26.051 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.271 20.915 28.246 1.00 0.00 C ATOM 369 CE2 TYR A 23 6.868 19.881 26.126 1.00 0.00 C ATOM 370 CZ TYR A 23 6.410 20.580 27.223 1.00 0.00 C ATOM 371 OH TYR A 23 5.085 20.946 27.296 1.00 0.00 O ATOM 0 H TYR A 23 10.193 22.202 26.892 1.00 0.00 H new ATOM 0 HA TYR A 23 12.456 20.308 26.612 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.616 18.561 26.367 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.875 19.173 27.988 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.280 20.810 28.973 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.562 18.964 25.193 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.907 21.463 29.103 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.189 19.622 25.327 1.00 0.00 H new ATOM 0 HH TYR A 23 4.615 20.634 26.495 1.00 0.00 H new ATOM 381 N GLU A 24 11.179 21.914 24.426 1.00 0.00 N ATOM 382 CA GLU A 24 10.982 22.160 23.002 1.00 0.00 C ATOM 383 C GLU A 24 9.630 21.619 22.548 1.00 0.00 C ATOM 384 O GLU A 24 9.138 20.623 23.077 1.00 0.00 O ATOM 385 CB GLU A 24 12.104 21.504 22.206 1.00 0.00 C ATOM 386 CG GLU A 24 12.654 22.448 21.141 1.00 0.00 C ATOM 387 CD GLU A 24 12.893 21.693 19.840 1.00 0.00 C ATOM 388 OE1 GLU A 24 11.955 21.611 19.019 1.00 0.00 O ATOM 389 OE2 GLU A 24 14.017 21.185 19.643 1.00 0.00 O ATOM 0 H GLU A 24 11.304 22.757 24.986 1.00 0.00 H new ATOM 0 HA GLU A 24 10.999 23.235 22.826 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.906 21.207 22.881 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.733 20.595 21.733 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.953 23.265 20.972 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.586 22.895 21.487 1.00 0.00 H new ATOM 396 N GLY A 25 9.032 22.285 21.566 1.00 0.00 N ATOM 397 CA GLY A 25 7.735 21.874 21.041 1.00 0.00 C ATOM 398 C GLY A 25 6.651 22.862 21.453 1.00 0.00 C ATOM 399 O GLY A 25 6.425 23.867 20.779 1.00 0.00 O ATOM 0 H GLY A 25 9.425 23.112 21.117 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.781 21.809 19.954 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.486 20.879 21.410 1.00 0.00 H new ATOM 403 N ASP A 26 5.984 22.571 22.566 1.00 0.00 N ATOM 404 CA ASP A 26 4.921 23.434 23.074 1.00 0.00 C ATOM 405 C ASP A 26 5.448 24.843 23.316 1.00 0.00 C ATOM 406 O ASP A 26 6.588 25.156 22.976 1.00 0.00 O ATOM 407 CB ASP A 26 4.360 22.859 24.371 1.00 0.00 C ATOM 408 CG ASP A 26 2.865 22.606 24.233 1.00 0.00 C ATOM 409 OD1 ASP A 26 2.407 22.349 23.099 1.00 0.00 O ATOM 410 OD2 ASP A 26 2.153 22.666 25.257 1.00 0.00 O ATOM 0 H ASP A 26 6.161 21.743 23.135 1.00 0.00 H new ATOM 0 HA ASP A 26 4.126 23.483 22.330 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.872 21.929 24.616 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.544 23.550 25.193 1.00 0.00 H new ATOM 415 N THR A 27 4.610 25.690 23.907 1.00 0.00 N ATOM 416 CA THR A 27 4.991 27.069 24.195 1.00 0.00 C ATOM 417 C THR A 27 4.954 27.331 25.696 1.00 0.00 C ATOM 418 O THR A 27 4.526 26.479 26.475 1.00 0.00 O ATOM 419 CB THR A 27 4.050 28.030 23.476 1.00 0.00 C ATOM 420 OG1 THR A 27 3.393 27.359 22.411 1.00 0.00 O ATOM 421 CG2 THR A 27 4.816 29.236 22.941 1.00 0.00 C ATOM 0 H THR A 27 3.663 25.446 24.196 1.00 0.00 H new ATOM 0 HA THR A 27 6.008 27.230 23.839 1.00 0.00 H new ATOM 0 HB THR A 27 3.306 28.384 24.189 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.789 27.982 21.955 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.126 29.909 22.432 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.291 29.762 23.769 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.579 28.900 22.239 1.00 0.00 H new ATOM 429 N MET A 28 5.407 28.516 26.095 1.00 0.00 N ATOM 430 CA MET A 28 5.430 28.898 27.505 1.00 0.00 C ATOM 431 C MET A 28 4.381 29.964 27.785 1.00 0.00 C ATOM 432 O MET A 28 4.376 31.024 27.159 1.00 0.00 O ATOM 433 CB MET A 28 6.809 29.426 27.877 1.00 0.00 C ATOM 434 CG MET A 28 7.902 28.428 27.508 1.00 0.00 C ATOM 435 SD MET A 28 9.041 29.078 26.275 1.00 0.00 S ATOM 436 CE MET A 28 9.697 30.513 27.141 1.00 0.00 C ATOM 0 H MET A 28 5.764 29.230 25.461 1.00 0.00 H new ATOM 0 HA MET A 28 5.205 28.017 28.107 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.989 30.372 27.365 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.846 29.630 28.947 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.459 28.156 28.405 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.443 27.515 27.128 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.711 30.715 26.795 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.066 31.379 26.940 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.712 30.316 28.213 1.00 0.00 H new ATOM 446 N ALA A 29 3.494 29.674 28.728 1.00 0.00 N ATOM 447 CA ALA A 29 2.432 30.602 29.097 1.00 0.00 C ATOM 448 C ALA A 29 2.618 31.073 30.532 1.00 0.00 C ATOM 449 O ALA A 29 2.823 32.259 30.789 1.00 0.00 O ATOM 450 CB ALA A 29 1.083 29.910 28.947 1.00 0.00 C ATOM 0 H ALA A 29 3.489 28.800 29.253 1.00 0.00 H new ATOM 0 HA ALA A 29 2.471 31.471 28.440 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.287 30.602 29.222 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.949 29.595 27.912 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.047 29.037 29.599 1.00 0.00 H new ATOM 456 N GLU A 30 2.550 30.129 31.460 1.00 0.00 N ATOM 457 CA GLU A 30 2.714 30.426 32.878 1.00 0.00 C ATOM 458 C GLU A 30 3.103 29.160 33.622 1.00 0.00 C ATOM 459 O GLU A 30 2.962 28.057 33.095 1.00 0.00 O ATOM 460 CB GLU A 30 1.420 30.996 33.453 1.00 0.00 C ATOM 461 CG GLU A 30 1.708 32.006 34.560 1.00 0.00 C ATOM 462 CD GLU A 30 1.131 31.520 35.883 1.00 0.00 C ATOM 463 OE1 GLU A 30 1.113 30.292 36.110 1.00 0.00 O ATOM 464 OE2 GLU A 30 0.698 32.368 36.691 1.00 0.00 O ATOM 0 H GLU A 30 2.381 29.144 31.255 1.00 0.00 H new ATOM 0 HA GLU A 30 3.502 31.169 32.997 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.846 31.475 32.660 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.806 30.186 33.846 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.784 32.153 34.657 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.277 32.973 34.301 1.00 0.00 H new ATOM 471 N VAL A 31 3.600 29.314 34.843 1.00 0.00 N ATOM 472 CA VAL A 31 4.012 28.162 35.634 1.00 0.00 C ATOM 473 C VAL A 31 3.591 28.310 37.088 1.00 0.00 C ATOM 474 O VAL A 31 3.576 29.411 37.639 1.00 0.00 O ATOM 475 CB VAL A 31 5.525 27.984 35.545 1.00 0.00 C ATOM 476 CG1 VAL A 31 5.947 26.651 36.155 1.00 0.00 C ATOM 477 CG2 VAL A 31 5.992 28.077 34.095 1.00 0.00 C ATOM 0 H VAL A 31 3.727 30.216 35.303 1.00 0.00 H new ATOM 0 HA VAL A 31 3.518 27.279 35.228 1.00 0.00 H new ATOM 0 HB VAL A 31 5.996 28.787 36.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.029 26.544 36.081 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.650 26.620 37.203 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.464 25.835 35.617 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.073 27.948 34.052 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.510 27.297 33.507 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.727 29.053 33.689 1.00 0.00 H new ATOM 487 N GLU A 32 3.249 27.182 37.700 1.00 0.00 N ATOM 488 CA GLU A 32 2.826 27.142 39.078 1.00 0.00 C ATOM 489 C GLU A 32 3.708 26.162 39.846 1.00 0.00 C ATOM 490 O GLU A 32 3.924 25.034 39.401 1.00 0.00 O ATOM 491 CB GLU A 32 1.371 26.704 39.132 1.00 0.00 C ATOM 492 CG GLU A 32 0.888 26.646 40.566 1.00 0.00 C ATOM 493 CD GLU A 32 0.109 27.906 40.924 1.00 0.00 C ATOM 494 OE1 GLU A 32 -0.109 28.750 40.029 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.283 28.047 42.100 1.00 0.00 O ATOM 0 H GLU A 32 3.260 26.270 37.244 1.00 0.00 H new ATOM 0 HA GLU A 32 2.919 28.128 39.533 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.754 27.399 38.562 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.262 25.725 38.665 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.256 25.769 40.707 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.740 26.536 41.238 1.00 0.00 H new ATOM 502 N LEU A 33 4.231 26.596 40.989 1.00 0.00 N ATOM 503 CA LEU A 33 5.101 25.760 41.794 1.00 0.00 C ATOM 504 C LEU A 33 4.430 25.433 43.131 1.00 0.00 C ATOM 505 O LEU A 33 3.618 26.206 43.639 1.00 0.00 O ATOM 506 CB LEU A 33 6.435 26.501 41.988 1.00 0.00 C ATOM 507 CG LEU A 33 7.220 26.002 43.196 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.700 24.570 42.972 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.400 26.923 43.489 1.00 0.00 C ATOM 0 H LEU A 33 4.064 27.525 41.375 1.00 0.00 H new ATOM 0 HA LEU A 33 5.293 24.810 41.294 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.044 26.384 41.092 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.239 27.567 42.103 1.00 0.00 H new ATOM 0 HG LEU A 33 6.556 26.010 44.061 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.258 24.232 43.845 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.840 23.918 42.817 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.345 24.536 42.094 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.947 26.549 44.355 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.063 26.951 42.625 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.034 27.928 43.698 1.00 0.00 H new ATOM 521 N ARG A 34 4.788 24.281 43.693 1.00 0.00 N ATOM 522 CA ARG A 34 4.244 23.837 44.973 1.00 0.00 C ATOM 523 C ARG A 34 5.386 23.519 45.935 1.00 0.00 C ATOM 524 O ARG A 34 6.492 24.035 45.781 1.00 0.00 O ATOM 525 CB ARG A 34 3.373 22.601 44.763 1.00 0.00 C ATOM 526 CG ARG A 34 2.041 22.734 45.495 1.00 0.00 C ATOM 527 CD ARG A 34 1.366 21.376 45.664 1.00 0.00 C ATOM 528 NE ARG A 34 1.183 21.072 47.079 1.00 0.00 N ATOM 529 CZ ARG A 34 0.831 19.860 47.493 1.00 0.00 C ATOM 530 NH1 ARG A 34 -0.433 19.469 47.408 1.00 0.00 N ATOM 531 NH2 ARG A 34 1.743 19.038 47.992 1.00 0.00 N ATOM 0 H ARG A 34 5.458 23.634 43.278 1.00 0.00 H new ATOM 0 HA ARG A 34 3.632 24.631 45.400 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.193 22.457 43.698 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.900 21.716 45.120 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.204 23.186 46.473 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.383 23.403 44.940 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.401 21.377 45.158 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.971 20.601 45.194 1.00 0.00 H new ATOM 0 HE ARG A 34 1.329 21.809 47.768 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.137 20.099 47.024 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.701 18.538 47.726 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.716 19.336 48.058 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.472 18.107 48.310 1.00 0.00 H new ATOM 545 N GLU A 35 5.122 22.668 46.924 1.00 0.00 N ATOM 546 CA GLU A 35 6.147 22.293 47.894 1.00 0.00 C ATOM 547 C GLU A 35 5.759 21.008 48.620 1.00 0.00 C ATOM 548 O GLU A 35 6.122 19.914 48.190 1.00 0.00 O ATOM 549 CB GLU A 35 6.363 23.427 48.893 1.00 0.00 C ATOM 550 CG GLU A 35 7.247 24.520 48.300 1.00 0.00 C ATOM 551 CD GLU A 35 7.955 25.287 49.408 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.268 25.994 50.176 1.00 0.00 O ATOM 553 OE2 GLU A 35 9.196 25.180 49.508 1.00 0.00 O ATOM 0 H GLU A 35 4.214 22.228 47.074 1.00 0.00 H new ATOM 0 HA GLU A 35 7.080 22.113 47.360 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.401 23.850 49.182 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.823 23.034 49.800 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.982 24.078 47.628 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.642 25.204 47.705 1.00 0.00 H new ATOM 560 N HIS A 36 5.025 21.138 49.724 1.00 0.00 N ATOM 561 CA HIS A 36 4.604 19.981 50.498 1.00 0.00 C ATOM 562 C HIS A 36 3.427 20.331 51.396 1.00 0.00 C ATOM 563 O HIS A 36 2.444 19.594 51.462 1.00 0.00 O ATOM 564 CB HIS A 36 5.767 19.481 51.344 1.00 0.00 C ATOM 565 CG HIS A 36 6.192 20.460 52.393 1.00 0.00 C ATOM 566 ND1 HIS A 36 5.912 20.305 53.726 1.00 0.00 N ATOM 567 CD2 HIS A 36 6.889 21.624 52.316 1.00 0.00 C ATOM 568 CE1 HIS A 36 6.400 21.301 54.429 1.00 0.00 C ATOM 569 NE2 HIS A 36 7.007 22.131 53.598 1.00 0.00 N ATOM 0 H HIS A 36 4.712 22.034 50.099 1.00 0.00 H new ATOM 0 HA HIS A 36 4.290 19.198 49.808 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.484 18.544 51.823 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.614 19.263 50.694 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.281 22.073 51.415 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.320 21.421 55.499 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.481 22.996 53.857 1.00 0.00 H new ATOM 577 N GLY A 37 3.535 21.455 52.093 1.00 0.00 N ATOM 578 CA GLY A 37 2.479 21.895 52.995 1.00 0.00 C ATOM 579 C GLY A 37 2.552 23.399 53.225 1.00 0.00 C ATOM 580 O GLY A 37 2.319 23.878 54.334 1.00 0.00 O ATOM 0 H GLY A 37 4.342 22.078 52.051 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.507 21.634 52.578 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.568 21.373 53.948 1.00 0.00 H new ATOM 584 N SER A 38 2.874 24.141 52.170 1.00 0.00 N ATOM 585 CA SER A 38 2.974 25.595 52.258 1.00 0.00 C ATOM 586 C SER A 38 1.586 26.213 52.354 1.00 0.00 C ATOM 587 O SER A 38 1.156 26.635 53.428 1.00 0.00 O ATOM 588 CB SER A 38 3.702 26.143 51.034 1.00 0.00 C ATOM 589 OG SER A 38 3.435 27.527 50.874 1.00 0.00 O ATOM 0 H SER A 38 3.070 23.760 51.244 1.00 0.00 H new ATOM 0 HA SER A 38 3.538 25.854 53.154 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.775 25.984 51.141 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.386 25.601 50.143 1.00 0.00 H new ATOM 0 HG SER A 38 3.911 27.863 50.086 1.00 0.00 H new ATOM 595 N ASP A 39 0.888 26.261 51.225 1.00 0.00 N ATOM 596 CA ASP A 39 -0.456 26.825 51.174 1.00 0.00 C ATOM 597 C ASP A 39 -1.068 26.597 49.799 1.00 0.00 C ATOM 598 O ASP A 39 -1.482 27.542 49.128 1.00 0.00 O ATOM 599 CB ASP A 39 -0.410 28.319 51.482 1.00 0.00 C ATOM 600 CG ASP A 39 0.558 29.022 50.539 1.00 0.00 C ATOM 601 OD1 ASP A 39 0.992 28.392 49.553 1.00 0.00 O ATOM 602 OD2 ASP A 39 0.879 30.203 50.788 1.00 0.00 O ATOM 0 H ASP A 39 1.232 25.915 50.329 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.073 26.328 51.922 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.406 28.750 51.379 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.100 28.475 52.515 1.00 0.00 H new ATOM 607 N GLU A 40 -1.119 25.336 49.384 1.00 0.00 N ATOM 608 CA GLU A 40 -1.676 24.978 48.085 1.00 0.00 C ATOM 609 C GLU A 40 -0.784 25.501 46.967 1.00 0.00 C ATOM 610 O GLU A 40 0.208 26.184 47.221 1.00 0.00 O ATOM 611 CB GLU A 40 -3.082 25.555 47.945 1.00 0.00 C ATOM 612 CG GLU A 40 -4.123 24.447 47.820 1.00 0.00 C ATOM 613 CD GLU A 40 -5.360 24.790 48.640 1.00 0.00 C ATOM 614 OE1 GLU A 40 -5.309 24.650 49.880 1.00 0.00 O ATOM 615 OE2 GLU A 40 -6.377 25.198 48.042 1.00 0.00 O ATOM 0 H GLU A 40 -0.781 24.543 49.930 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.728 23.892 48.012 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.311 26.177 48.811 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.127 26.201 47.068 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.397 24.313 46.774 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.701 23.502 48.163 1.00 0.00 H new ATOM 622 N TRP A 41 -1.141 25.175 45.730 1.00 0.00 N ATOM 623 CA TRP A 41 -0.370 25.611 44.571 1.00 0.00 C ATOM 624 C TRP A 41 -0.164 27.119 44.603 1.00 0.00 C ATOM 625 O TRP A 41 -1.079 27.875 44.931 1.00 0.00 O ATOM 626 CB TRP A 41 -1.090 25.213 43.285 1.00 0.00 C ATOM 627 CG TRP A 41 -1.098 23.731 43.062 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.112 22.863 43.364 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.039 22.936 42.488 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.730 21.600 43.008 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.479 21.605 42.472 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.233 23.219 41.986 1.00 0.00 C ATOM 633 CZ2 TRP A 41 0.307 20.576 41.980 1.00 0.00 C ATOM 634 CZ3 TRP A 41 2.025 22.192 41.491 1.00 0.00 C ATOM 635 CH2 TRP A 41 1.565 20.882 41.488 1.00 0.00 C ATOM 0 H TRP A 41 -1.960 24.610 45.504 1.00 0.00 H new ATOM 0 HA TRP A 41 0.605 25.125 44.601 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.117 25.576 43.321 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.609 25.701 42.438 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.058 23.132 43.810 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.305 20.766 43.128 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.600 24.235 41.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.053 19.558 41.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.009 22.414 41.104 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.194 20.095 41.099 1.00 0.00 H new ATOM 646 N VAL A 42 1.044 27.552 44.255 1.00 0.00 N ATOM 647 CA VAL A 42 1.376 28.972 44.236 1.00 0.00 C ATOM 648 C VAL A 42 2.047 29.331 42.916 1.00 0.00 C ATOM 649 O VAL A 42 3.174 28.915 42.648 1.00 0.00 O ATOM 650 CB VAL A 42 2.300 29.310 45.403 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.512 29.381 46.708 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.421 28.281 45.512 1.00 0.00 C ATOM 0 H VAL A 42 1.811 26.938 43.982 1.00 0.00 H new ATOM 0 HA VAL A 42 0.458 29.552 44.336 1.00 0.00 H new ATOM 0 HB VAL A 42 2.745 30.287 45.217 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.188 29.623 47.528 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.746 30.153 46.629 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.039 28.418 46.900 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.070 28.538 46.349 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.993 27.292 45.675 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.002 28.277 44.590 1.00 0.00 H new ATOM 662 N ALA A 43 1.342 30.098 42.089 1.00 0.00 N ATOM 663 CA ALA A 43 1.862 30.507 40.786 1.00 0.00 C ATOM 664 C ALA A 43 3.278 31.057 40.916 1.00 0.00 C ATOM 665 O ALA A 43 3.553 31.898 41.772 1.00 0.00 O ATOM 666 CB ALA A 43 0.948 31.563 40.170 1.00 0.00 C ATOM 0 H ALA A 43 0.408 30.450 42.298 1.00 0.00 H new ATOM 0 HA ALA A 43 1.891 29.632 40.137 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.342 31.863 39.199 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.053 31.149 40.044 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.901 32.432 40.827 1.00 0.00 H new ATOM 672 N MET A 44 4.173 30.573 40.060 1.00 0.00 N ATOM 673 CA MET A 44 5.566 31.010 40.072 1.00 0.00 C ATOM 674 C MET A 44 5.653 32.525 39.940 1.00 0.00 C ATOM 675 O MET A 44 4.641 33.223 40.000 1.00 0.00 O ATOM 676 CB MET A 44 6.326 30.346 38.928 1.00 0.00 C ATOM 677 CG MET A 44 7.144 29.157 39.422 1.00 0.00 C ATOM 678 SD MET A 44 8.877 29.573 39.675 1.00 0.00 S ATOM 679 CE MET A 44 9.541 27.978 40.181 1.00 0.00 C ATOM 0 H MET A 44 3.958 29.876 39.347 1.00 0.00 H new ATOM 0 HA MET A 44 6.014 30.718 41.022 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.622 30.014 38.165 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.986 31.074 38.457 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.721 28.792 40.358 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.070 28.344 38.700 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.339 28.130 40.908 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.749 27.380 40.632 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.938 27.456 39.310 1.00 0.00 H new ATOM 689 N THR A 45 6.870 33.027 39.759 1.00 0.00 N ATOM 690 CA THR A 45 7.096 34.461 39.617 1.00 0.00 C ATOM 691 C THR A 45 8.182 34.723 38.583 1.00 0.00 C ATOM 692 O THR A 45 9.370 34.569 38.864 1.00 0.00 O ATOM 693 CB THR A 45 7.503 35.061 40.959 1.00 0.00 C ATOM 694 OG1 THR A 45 6.537 34.738 41.948 1.00 0.00 O ATOM 695 CG2 THR A 45 7.655 36.576 40.853 1.00 0.00 C ATOM 0 H THR A 45 7.717 32.461 39.707 1.00 0.00 H new ATOM 0 HA THR A 45 6.170 34.929 39.283 1.00 0.00 H new ATOM 0 HB THR A 45 8.466 34.639 41.246 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.806 35.125 42.807 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.946 36.981 41.822 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.422 36.814 40.116 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.706 37.016 40.545 1.00 0.00 H new ATOM 703 N LYS A 46 7.768 35.119 37.384 1.00 0.00 N ATOM 704 CA LYS A 46 8.706 35.403 36.303 1.00 0.00 C ATOM 705 C LYS A 46 9.583 36.594 36.663 1.00 0.00 C ATOM 706 O LYS A 46 9.381 37.701 36.163 1.00 0.00 O ATOM 707 CB LYS A 46 7.941 35.688 35.015 1.00 0.00 C ATOM 708 CG LYS A 46 7.024 36.895 35.174 1.00 0.00 C ATOM 709 CD LYS A 46 5.774 36.758 34.310 1.00 0.00 C ATOM 710 CE LYS A 46 6.134 36.479 32.854 1.00 0.00 C ATOM 711 NZ LYS A 46 5.594 37.534 31.951 1.00 0.00 N ATOM 0 H LYS A 46 6.788 35.251 37.136 1.00 0.00 H new ATOM 0 HA LYS A 46 9.345 34.532 36.154 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.645 35.868 34.203 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.351 34.814 34.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.736 37.001 36.220 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.562 37.802 34.898 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.151 35.950 34.694 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.184 37.673 34.372 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.218 36.427 32.749 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.738 35.507 32.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.855 37.317 30.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.558 37.566 32.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.992 38.457 32.219 1.00 0.00 H new ATOM 725 N GLY A 47 10.559 36.360 37.535 1.00 0.00 N ATOM 726 CA GLY A 47 11.472 37.412 37.967 1.00 0.00 C ATOM 727 C GLY A 47 12.853 37.221 37.351 1.00 0.00 C ATOM 728 O GLY A 47 13.632 38.169 37.252 1.00 0.00 O ATOM 0 H GLY A 47 10.738 35.449 37.957 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.073 38.385 37.681 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.551 37.407 39.054 1.00 0.00 H new ATOM 732 N GLU A 48 13.154 35.992 36.938 1.00 0.00 N ATOM 733 CA GLU A 48 14.444 35.685 36.333 1.00 0.00 C ATOM 734 C GLU A 48 14.522 36.268 34.929 1.00 0.00 C ATOM 735 O GLU A 48 15.590 36.680 34.475 1.00 0.00 O ATOM 736 CB GLU A 48 14.646 34.174 36.283 1.00 0.00 C ATOM 737 CG GLU A 48 15.691 33.722 37.300 1.00 0.00 C ATOM 738 CD GLU A 48 17.092 33.878 36.721 1.00 0.00 C ATOM 739 OE1 GLU A 48 17.412 34.979 36.227 1.00 0.00 O ATOM 740 OE2 GLU A 48 17.866 32.899 36.764 1.00 0.00 O ATOM 0 H GLU A 48 12.522 35.195 37.012 1.00 0.00 H new ATOM 0 HA GLU A 48 15.232 36.131 36.940 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.700 33.671 36.482 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.959 33.879 35.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.599 34.311 38.213 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.517 32.681 37.573 1.00 0.00 H new ATOM 747 N GLY A 49 13.384 36.301 34.243 1.00 0.00 N ATOM 748 CA GLY A 49 13.320 36.834 32.887 1.00 0.00 C ATOM 749 C GLY A 49 13.374 35.706 31.866 1.00 0.00 C ATOM 750 O GLY A 49 12.639 35.712 30.878 1.00 0.00 O ATOM 0 H GLY A 49 12.492 35.964 34.605 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.401 37.405 32.758 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.149 37.522 32.721 1.00 0.00 H new ATOM 754 N GLY A 50 14.250 34.738 32.111 1.00 0.00 N ATOM 755 CA GLY A 50 14.405 33.597 31.215 1.00 0.00 C ATOM 756 C GLY A 50 13.816 32.338 31.840 1.00 0.00 C ATOM 757 O GLY A 50 13.424 31.409 31.133 1.00 0.00 O ATOM 0 H GLY A 50 14.865 34.720 32.924 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.910 33.804 30.266 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.461 33.441 30.996 1.00 0.00 H new ATOM 761 N VAL A 51 13.756 32.312 33.169 1.00 0.00 N ATOM 762 CA VAL A 51 13.215 31.163 33.888 1.00 0.00 C ATOM 763 C VAL A 51 12.303 31.623 35.018 1.00 0.00 C ATOM 764 O VAL A 51 12.114 32.821 35.228 1.00 0.00 O ATOM 765 CB VAL A 51 14.352 30.317 34.448 1.00 0.00 C ATOM 766 CG1 VAL A 51 15.147 29.680 33.313 1.00 0.00 C ATOM 767 CG2 VAL A 51 15.263 31.164 35.332 1.00 0.00 C ATOM 0 H VAL A 51 14.075 33.073 33.769 1.00 0.00 H new ATOM 0 HA VAL A 51 12.631 30.561 33.192 1.00 0.00 H new ATOM 0 HB VAL A 51 13.925 29.522 35.059 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.956 29.079 33.728 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.489 29.044 32.720 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.565 30.461 32.678 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.069 30.544 35.723 1.00 0.00 H new ATOM 0 HG22 VAL A 51 15.685 31.979 34.744 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.686 31.575 36.161 1.00 0.00 H new ATOM 777 N TRP A 52 11.731 30.663 35.736 1.00 0.00 N ATOM 778 CA TRP A 52 10.824 30.965 36.841 1.00 0.00 C ATOM 779 C TRP A 52 11.479 30.626 38.174 1.00 0.00 C ATOM 780 O TRP A 52 11.982 29.519 38.366 1.00 0.00 O ATOM 781 CB TRP A 52 9.524 30.174 36.685 1.00 0.00 C ATOM 782 CG TRP A 52 9.165 29.916 35.251 1.00 0.00 C ATOM 783 CD1 TRP A 52 8.868 28.709 34.687 1.00 0.00 C ATOM 784 CD2 TRP A 52 9.083 30.893 34.192 1.00 0.00 C ATOM 785 NE1 TRP A 52 8.605 28.896 33.359 1.00 0.00 N ATOM 786 CE2 TRP A 52 8.726 30.210 33.023 1.00 0.00 C ATOM 787 CE3 TRP A 52 9.274 32.275 34.121 1.00 0.00 C ATOM 788 CZ2 TRP A 52 8.558 30.861 31.813 1.00 0.00 C ATOM 789 CZ3 TRP A 52 9.108 32.932 32.910 1.00 0.00 C ATOM 790 CH2 TRP A 52 8.753 32.230 31.766 1.00 0.00 C ATOM 0 H TRP A 52 11.879 29.667 35.574 1.00 0.00 H new ATOM 0 HA TRP A 52 10.598 32.031 36.822 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.619 29.222 37.207 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.712 30.721 37.165 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.845 27.762 35.205 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.352 28.152 32.708 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.550 32.830 35.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.281 30.312 30.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.256 34.000 32.857 1.00 0.00 H new ATOM 0 HH2 TRP A 52 8.628 32.757 30.832 1.00 0.00 H new ATOM 801 N THR A 53 11.471 31.587 39.093 1.00 0.00 N ATOM 802 CA THR A 53 12.066 31.392 40.412 1.00 0.00 C ATOM 803 C THR A 53 10.993 31.439 41.491 1.00 0.00 C ATOM 804 O THR A 53 9.856 31.836 41.235 1.00 0.00 O ATOM 805 CB THR A 53 13.113 32.470 40.676 1.00 0.00 C ATOM 806 OG1 THR A 53 12.854 33.606 39.867 1.00 0.00 O ATOM 807 CG2 THR A 53 14.518 31.940 40.402 1.00 0.00 C ATOM 0 H THR A 53 11.059 32.509 38.949 1.00 0.00 H new ATOM 0 HA THR A 53 12.545 30.413 40.436 1.00 0.00 H new ATOM 0 HB THR A 53 13.054 32.758 41.726 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.529 34.294 40.043 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.248 32.726 40.597 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.719 31.089 41.052 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.592 31.626 39.361 1.00 0.00 H new ATOM 815 N PHE A 54 11.362 31.031 42.701 1.00 0.00 N ATOM 816 CA PHE A 54 10.433 31.027 43.826 1.00 0.00 C ATOM 817 C PHE A 54 11.172 31.328 45.123 1.00 0.00 C ATOM 818 O PHE A 54 12.228 30.756 45.395 1.00 0.00 O ATOM 819 CB PHE A 54 9.741 29.672 43.923 1.00 0.00 C ATOM 820 CG PHE A 54 8.692 29.625 45.006 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.480 30.271 44.825 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.941 28.938 46.183 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.517 30.228 45.820 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.978 28.896 47.178 1.00 0.00 C ATOM 825 CZ PHE A 54 6.766 29.541 46.997 1.00 0.00 C ATOM 0 H PHE A 54 12.299 30.698 42.928 1.00 0.00 H new ATOM 0 HA PHE A 54 9.682 31.800 43.664 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.278 29.437 42.965 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.488 28.901 44.114 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.286 30.808 43.908 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.886 28.435 46.325 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.572 30.730 45.678 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.173 28.360 48.095 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.015 29.508 47.773 1.00 0.00 H new ATOM 835 N ASP A 55 10.612 32.231 45.920 1.00 0.00 N ATOM 836 CA ASP A 55 11.217 32.613 47.192 1.00 0.00 C ATOM 837 C ASP A 55 10.624 31.797 48.332 1.00 0.00 C ATOM 838 O ASP A 55 9.441 31.922 48.649 1.00 0.00 O ATOM 839 CB ASP A 55 10.993 34.100 47.448 1.00 0.00 C ATOM 840 CG ASP A 55 9.503 34.400 47.543 1.00 0.00 C ATOM 841 OD1 ASP A 55 8.709 33.678 46.903 1.00 0.00 O ATOM 842 OD2 ASP A 55 9.131 35.355 48.257 1.00 0.00 O ATOM 0 H ASP A 55 9.739 32.713 45.708 1.00 0.00 H new ATOM 0 HA ASP A 55 12.287 32.414 47.141 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.490 34.396 48.372 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.439 34.686 46.644 1.00 0.00 H new ATOM 847 N SER A 56 11.455 30.964 48.950 1.00 0.00 N ATOM 848 CA SER A 56 11.015 30.127 50.061 1.00 0.00 C ATOM 849 C SER A 56 11.082 30.907 51.368 1.00 0.00 C ATOM 850 O SER A 56 11.955 31.756 51.551 1.00 0.00 O ATOM 851 CB SER A 56 11.892 28.882 50.154 1.00 0.00 C ATOM 852 OG SER A 56 11.117 27.754 50.531 1.00 0.00 O ATOM 0 H SER A 56 12.437 30.850 48.700 1.00 0.00 H new ATOM 0 HA SER A 56 9.983 29.825 49.885 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.372 28.696 49.193 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.687 29.044 50.882 1.00 0.00 H new ATOM 0 HG SER A 56 11.653 26.940 50.430 1.00 0.00 H new ATOM 858 N GLU A 57 10.154 30.616 52.274 1.00 0.00 N ATOM 859 CA GLU A 57 10.107 31.291 53.567 1.00 0.00 C ATOM 860 C GLU A 57 10.427 30.312 54.689 1.00 0.00 C ATOM 861 O GLU A 57 11.131 30.651 55.640 1.00 0.00 O ATOM 862 CB GLU A 57 8.725 31.900 53.786 1.00 0.00 C ATOM 863 CG GLU A 57 8.713 33.385 53.431 1.00 0.00 C ATOM 864 CD GLU A 57 8.579 34.227 54.694 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.539 34.258 55.492 1.00 0.00 O ATOM 866 OE2 GLU A 57 7.515 34.853 54.882 1.00 0.00 O ATOM 0 H GLU A 57 9.424 29.917 52.137 1.00 0.00 H new ATOM 0 HA GLU A 57 10.853 32.086 53.574 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.991 31.372 53.177 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.428 31.770 54.827 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.631 33.648 52.905 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.886 33.598 52.754 1.00 0.00 H new ATOM 873 N GLU A 58 9.906 29.094 54.574 1.00 0.00 N ATOM 874 CA GLU A 58 10.138 28.063 55.580 1.00 0.00 C ATOM 875 C GLU A 58 11.603 27.639 55.574 1.00 0.00 C ATOM 876 O GLU A 58 12.276 27.716 54.546 1.00 0.00 O ATOM 877 CB GLU A 58 9.244 26.857 55.310 1.00 0.00 C ATOM 878 CG GLU A 58 9.508 26.267 53.927 1.00 0.00 C ATOM 879 CD GLU A 58 8.199 26.109 53.164 1.00 0.00 C ATOM 880 OE1 GLU A 58 7.311 26.973 53.319 1.00 0.00 O ATOM 881 OE2 GLU A 58 8.064 25.120 52.413 1.00 0.00 O ATOM 0 H GLU A 58 9.320 28.797 53.794 1.00 0.00 H new ATOM 0 HA GLU A 58 9.895 28.471 56.561 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.417 26.096 56.071 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.198 27.153 55.387 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.186 26.914 53.371 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.000 25.299 54.024 1.00 0.00 H new ATOM 888 N PRO A 59 12.119 27.186 56.731 1.00 0.00 N ATOM 889 CA PRO A 59 13.518 26.750 56.860 1.00 0.00 C ATOM 890 C PRO A 59 13.783 25.423 56.156 1.00 0.00 C ATOM 891 O PRO A 59 14.931 25.081 55.872 1.00 0.00 O ATOM 892 CB PRO A 59 13.718 26.608 58.363 1.00 0.00 C ATOM 893 CG PRO A 59 12.358 26.367 58.921 1.00 0.00 C ATOM 894 CD PRO A 59 11.387 27.065 58.005 1.00 0.00 C ATOM 0 HA PRO A 59 14.204 27.458 56.395 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.390 25.781 58.594 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.163 27.508 58.787 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.144 25.299 58.972 1.00 0.00 H new ATOM 0 HG3 PRO A 59 12.281 26.756 59.936 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.469 26.490 57.884 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.102 28.042 58.396 1.00 0.00 H new ATOM 902 N LEU A 60 12.719 24.677 55.883 1.00 0.00 N ATOM 903 CA LEU A 60 12.841 23.385 55.220 1.00 0.00 C ATOM 904 C LEU A 60 12.609 23.526 53.721 1.00 0.00 C ATOM 905 O LEU A 60 11.781 24.323 53.282 1.00 0.00 O ATOM 906 CB LEU A 60 11.833 22.410 55.816 1.00 0.00 C ATOM 907 CG LEU A 60 12.047 22.250 57.318 1.00 0.00 C ATOM 908 CD1 LEU A 60 10.709 22.124 58.040 1.00 0.00 C ATOM 909 CD2 LEU A 60 12.928 21.037 57.606 1.00 0.00 C ATOM 0 H LEU A 60 11.762 24.945 56.111 1.00 0.00 H new ATOM 0 HA LEU A 60 13.850 23.004 55.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.821 22.767 55.626 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.927 21.441 55.327 1.00 0.00 H new ATOM 0 HG LEU A 60 12.554 23.140 57.690 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.882 22.011 59.110 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.114 23.019 57.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.174 21.252 57.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.070 20.938 58.682 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.448 20.138 57.219 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.896 21.167 57.123 1.00 0.00 H new ATOM 921 N GLN A 61 13.346 22.743 52.940 1.00 0.00 N ATOM 922 CA GLN A 61 13.224 22.774 51.486 1.00 0.00 C ATOM 923 C GLN A 61 13.382 21.371 50.913 1.00 0.00 C ATOM 924 O GLN A 61 14.492 20.934 50.612 1.00 0.00 O ATOM 925 CB GLN A 61 14.284 23.699 50.895 1.00 0.00 C ATOM 926 CG GLN A 61 13.757 25.124 50.753 1.00 0.00 C ATOM 927 CD GLN A 61 14.605 26.084 51.577 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.567 26.063 52.807 1.00 0.00 O ATOM 929 NE2 GLN A 61 15.373 26.930 50.898 1.00 0.00 N ATOM 0 H GLN A 61 14.035 22.078 53.290 1.00 0.00 H new ATOM 0 HA GLN A 61 12.235 23.151 51.225 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.168 23.697 51.533 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.594 23.324 49.919 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.772 25.422 49.705 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.719 25.170 51.082 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.373 26.912 49.878 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.962 27.597 51.397 1.00 0.00 H new ATOM 938 N GLY A 62 12.263 20.668 50.766 1.00 0.00 N ATOM 939 CA GLY A 62 12.275 19.311 50.231 1.00 0.00 C ATOM 940 C GLY A 62 11.971 19.316 48.737 1.00 0.00 C ATOM 941 O GLY A 62 12.431 20.194 48.006 1.00 0.00 O ATOM 0 H GLY A 62 11.336 21.016 51.010 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.249 18.854 50.407 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.538 18.702 50.755 1.00 0.00 H new ATOM 945 N PRO A 63 11.187 18.332 48.260 1.00 0.00 N ATOM 946 CA PRO A 63 10.821 18.231 46.839 1.00 0.00 C ATOM 947 C PRO A 63 9.789 19.280 46.442 1.00 0.00 C ATOM 948 O PRO A 63 9.180 19.918 47.300 1.00 0.00 O ATOM 949 CB PRO A 63 10.248 16.827 46.705 1.00 0.00 C ATOM 950 CG PRO A 63 9.761 16.464 48.070 1.00 0.00 C ATOM 951 CD PRO A 63 10.592 17.247 49.060 1.00 0.00 C ATOM 0 HA PRO A 63 11.674 18.406 46.184 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.436 16.802 45.979 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.006 16.125 46.359 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.704 16.705 48.179 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.863 15.393 48.243 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.978 17.641 49.870 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.360 16.622 49.516 1.00 0.00 H new ATOM 959 N PHE A 64 9.599 19.460 45.138 1.00 0.00 N ATOM 960 CA PHE A 64 8.641 20.440 44.636 1.00 0.00 C ATOM 961 C PHE A 64 7.641 19.790 43.688 1.00 0.00 C ATOM 962 O PHE A 64 7.730 18.600 43.387 1.00 0.00 O ATOM 963 CB PHE A 64 9.377 21.560 43.905 1.00 0.00 C ATOM 964 CG PHE A 64 10.333 22.322 44.788 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.848 23.133 45.801 1.00 0.00 C ATOM 966 CD2 PHE A 64 11.698 22.215 44.582 1.00 0.00 C ATOM 967 CE1 PHE A 64 10.728 23.837 46.606 1.00 0.00 C ATOM 968 CE2 PHE A 64 12.578 22.918 45.387 1.00 0.00 C ATOM 969 CZ PHE A 64 12.093 23.729 46.400 1.00 0.00 C ATOM 0 H PHE A 64 10.094 18.942 44.412 1.00 0.00 H new ATOM 0 HA PHE A 64 8.099 20.850 45.488 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.928 21.136 43.066 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.647 22.254 43.488 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.783 23.216 45.963 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.077 21.583 43.793 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.349 24.470 47.395 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.643 22.834 45.225 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.779 24.277 47.029 1.00 0.00 H new ATOM 979 N ASN A 65 6.692 20.593 43.217 1.00 0.00 N ATOM 980 CA ASN A 65 5.664 20.128 42.293 1.00 0.00 C ATOM 981 C ASN A 65 5.277 21.261 41.351 1.00 0.00 C ATOM 982 O ASN A 65 5.089 22.398 41.784 1.00 0.00 O ATOM 983 CB ASN A 65 4.442 19.648 43.071 1.00 0.00 C ATOM 984 CG ASN A 65 4.864 18.671 44.160 1.00 0.00 C ATOM 985 OD1 ASN A 65 4.713 17.458 44.013 1.00 0.00 O ATOM 986 ND2 ASN A 65 5.397 19.198 45.256 1.00 0.00 N ATOM 0 H ASN A 65 6.614 21.580 43.464 1.00 0.00 H new ATOM 0 HA ASN A 65 6.054 19.295 41.708 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.927 20.500 43.516 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.736 19.167 42.394 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.700 18.592 46.018 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.504 20.209 45.336 1.00 0.00 H new ATOM 993 N PHE A 66 5.176 20.956 40.061 1.00 0.00 N ATOM 994 CA PHE A 66 4.831 21.969 39.069 1.00 0.00 C ATOM 995 C PHE A 66 3.605 21.563 38.260 1.00 0.00 C ATOM 996 O PHE A 66 3.154 20.420 38.315 1.00 0.00 O ATOM 997 CB PHE A 66 6.011 22.195 38.130 1.00 0.00 C ATOM 998 CG PHE A 66 7.114 23.012 38.754 1.00 0.00 C ATOM 999 CD1 PHE A 66 8.017 22.414 39.618 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.228 24.361 38.460 1.00 0.00 C ATOM 1001 CE1 PHE A 66 9.031 23.165 40.189 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.242 25.112 39.031 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.143 24.514 39.895 1.00 0.00 C ATOM 0 H PHE A 66 5.327 20.022 39.680 1.00 0.00 H new ATOM 0 HA PHE A 66 4.597 22.892 39.599 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.412 21.230 37.821 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.660 22.698 37.229 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.930 21.362 39.846 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.526 24.827 37.785 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.734 22.699 40.863 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.330 26.164 38.802 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.934 25.100 40.340 1.00 0.00 H new ATOM 1013 N ARG A 67 3.081 22.523 37.504 1.00 0.00 N ATOM 1014 CA ARG A 67 1.909 22.307 36.661 1.00 0.00 C ATOM 1015 C ARG A 67 1.702 23.519 35.762 1.00 0.00 C ATOM 1016 O ARG A 67 0.744 24.273 35.930 1.00 0.00 O ATOM 1017 CB ARG A 67 0.670 22.081 37.525 1.00 0.00 C ATOM 1018 CG ARG A 67 0.611 23.070 38.688 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.584 24.011 38.558 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.801 23.251 38.298 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.649 23.599 37.335 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.046 24.859 37.221 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.099 22.686 36.484 1.00 0.00 N ATOM 0 H ARG A 67 3.456 23.471 37.458 1.00 0.00 H new ATOM 0 HA ARG A 67 2.070 21.422 36.046 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.226 22.184 36.913 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.676 21.062 37.912 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.546 22.524 39.629 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.532 23.652 38.720 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.699 24.592 39.473 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.410 24.721 37.749 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.007 22.432 38.869 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.701 25.563 37.873 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.697 25.124 36.481 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.794 21.716 36.568 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.750 22.954 35.746 1.00 0.00 H new ATOM 1037 N PHE A 68 2.621 23.711 34.819 1.00 0.00 N ATOM 1038 CA PHE A 68 2.559 24.846 33.904 1.00 0.00 C ATOM 1039 C PHE A 68 1.200 24.948 33.233 1.00 0.00 C ATOM 1040 O PHE A 68 0.316 24.118 33.445 1.00 0.00 O ATOM 1041 CB PHE A 68 3.644 24.734 32.838 1.00 0.00 C ATOM 1042 CG PHE A 68 3.735 23.356 32.231 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.712 22.882 31.426 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.845 22.564 32.476 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.798 21.617 30.869 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.930 21.300 31.918 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.907 20.826 31.115 1.00 0.00 C ATOM 0 H PHE A 68 3.419 23.093 34.669 1.00 0.00 H new ATOM 0 HA PHE A 68 2.721 25.748 34.495 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.447 25.460 32.049 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.606 24.995 33.278 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.847 23.499 31.233 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.644 22.933 33.102 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.000 21.248 30.243 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.795 20.683 32.109 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.974 19.839 30.681 1.00 0.00 H new ATOM 1057 N LEU A 69 1.052 25.985 32.419 1.00 0.00 N ATOM 1058 CA LEU A 69 -0.185 26.237 31.692 1.00 0.00 C ATOM 1059 C LEU A 69 0.149 26.664 30.270 1.00 0.00 C ATOM 1060 O LEU A 69 -0.259 27.736 29.825 1.00 0.00 O ATOM 1061 CB LEU A 69 -0.994 27.333 32.391 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.851 27.262 33.913 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.458 28.501 34.565 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.509 25.995 34.453 1.00 0.00 C ATOM 0 H LEU A 69 1.784 26.673 32.244 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.783 25.326 31.669 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.662 28.310 32.040 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.045 27.238 32.120 1.00 0.00 H new ATOM 0 HG LEU A 69 0.210 27.229 34.159 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.348 28.434 35.647 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.944 29.391 34.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.516 28.564 34.312 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.398 25.961 35.537 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.568 25.998 34.197 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.031 25.120 34.012 1.00 0.00 H new ATOM 1076 N THR A 70 0.916 25.813 29.577 1.00 0.00 N ATOM 1077 CA THR A 70 1.365 26.055 28.195 1.00 0.00 C ATOM 1078 C THR A 70 0.400 26.937 27.408 1.00 0.00 C ATOM 1079 O THR A 70 -0.817 26.764 27.476 1.00 0.00 O ATOM 1080 CB THR A 70 1.538 24.722 27.474 1.00 0.00 C ATOM 1081 OG1 THR A 70 0.346 23.958 27.575 1.00 0.00 O ATOM 1082 CG2 THR A 70 2.711 23.939 28.057 1.00 0.00 C ATOM 0 H THR A 70 1.247 24.928 29.961 1.00 0.00 H new ATOM 0 HA THR A 70 2.315 26.586 28.253 1.00 0.00 H new ATOM 0 HB THR A 70 1.747 24.923 26.423 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.326 23.495 28.439 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.815 22.992 27.527 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.627 24.520 27.946 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.530 23.745 29.114 1.00 0.00 H new ATOM 1090 N GLU A 71 0.962 27.882 26.659 1.00 0.00 N ATOM 1091 CA GLU A 71 0.168 28.800 25.850 1.00 0.00 C ATOM 1092 C GLU A 71 -0.826 28.028 24.991 1.00 0.00 C ATOM 1093 O GLU A 71 -1.914 28.518 24.689 1.00 0.00 O ATOM 1094 CB GLU A 71 1.085 29.634 24.957 1.00 0.00 C ATOM 1095 CG GLU A 71 2.261 30.211 25.742 1.00 0.00 C ATOM 1096 CD GLU A 71 2.798 31.453 25.042 1.00 0.00 C ATOM 1097 OE1 GLU A 71 3.074 31.380 23.826 1.00 0.00 O ATOM 1098 OE2 GLU A 71 2.942 32.498 25.712 1.00 0.00 O ATOM 0 H GLU A 71 1.969 28.032 26.596 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.385 29.462 26.516 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.460 29.016 24.141 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.514 30.446 24.506 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.944 30.463 26.754 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.050 29.464 25.831 1.00 0.00 H new ATOM 1105 N LYS A 72 -0.444 26.817 24.599 1.00 0.00 N ATOM 1106 CA LYS A 72 -1.298 25.972 23.771 1.00 0.00 C ATOM 1107 C LYS A 72 -2.579 25.619 24.515 1.00 0.00 C ATOM 1108 O LYS A 72 -3.634 25.444 23.906 1.00 0.00 O ATOM 1109 CB LYS A 72 -0.554 24.697 23.388 1.00 0.00 C ATOM 1110 CG LYS A 72 -1.040 24.154 22.048 1.00 0.00 C ATOM 1111 CD LYS A 72 -2.248 23.240 22.227 1.00 0.00 C ATOM 1112 CE LYS A 72 -3.477 23.803 21.520 1.00 0.00 C ATOM 1113 NZ LYS A 72 -4.715 23.082 21.930 1.00 0.00 N ATOM 0 H LYS A 72 0.454 26.398 24.842 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.559 26.521 22.866 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.516 24.900 23.335 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.697 23.943 24.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.302 24.983 21.391 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.234 23.604 21.562 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.020 22.250 21.832 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.461 23.118 23.289 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.578 24.864 21.751 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.347 23.722 20.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.534 23.487 21.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.626 22.075 21.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.850 23.180 22.956 1.00 0.00 H new ATOM 1127 N GLY A 73 -2.481 25.512 25.836 1.00 0.00 N ATOM 1128 CA GLY A 73 -3.633 25.176 26.666 1.00 0.00 C ATOM 1129 C GLY A 73 -3.572 23.719 27.106 1.00 0.00 C ATOM 1130 O GLY A 73 -4.447 22.921 26.769 1.00 0.00 O ATOM 0 H GLY A 73 -1.615 25.653 26.356 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.658 25.825 27.541 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.553 25.355 26.110 1.00 0.00 H new ATOM 1134 N MET A 74 -2.534 23.377 27.862 1.00 0.00 N ATOM 1135 CA MET A 74 -2.356 22.014 28.352 1.00 0.00 C ATOM 1136 C MET A 74 -1.575 22.020 29.660 1.00 0.00 C ATOM 1137 O MET A 74 -0.406 22.406 29.695 1.00 0.00 O ATOM 1138 CB MET A 74 -1.619 21.178 27.308 1.00 0.00 C ATOM 1139 CG MET A 74 -2.415 21.089 26.010 1.00 0.00 C ATOM 1140 SD MET A 74 -1.763 19.842 24.888 1.00 0.00 S ATOM 1141 CE MET A 74 -2.189 18.334 25.772 1.00 0.00 C ATOM 0 H MET A 74 -1.802 24.026 28.149 1.00 0.00 H new ATOM 0 HA MET A 74 -3.337 21.575 28.533 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.642 21.619 27.109 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.443 20.176 27.699 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.455 20.858 26.240 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.406 22.060 25.514 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.201 17.495 25.076 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.450 18.148 26.551 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.174 18.444 26.225 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.228 21.591 30.735 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.596 21.548 32.050 1.00 0.00 C ATOM 1153 C LYS A 75 -1.306 20.109 32.452 1.00 0.00 C ATOM 1154 O LYS A 75 -1.654 19.170 31.735 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.501 22.203 33.091 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.147 23.475 32.547 1.00 0.00 C ATOM 1157 CD LYS A 75 -4.395 23.152 31.730 1.00 0.00 C ATOM 1158 CE LYS A 75 -5.473 24.214 31.924 1.00 0.00 C ATOM 1159 NZ LYS A 75 -6.738 23.614 32.432 1.00 0.00 N ATOM 0 H LYS A 75 -3.195 21.268 30.722 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.655 22.097 31.999 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.277 21.500 33.394 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.920 22.441 33.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.411 24.135 33.374 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.431 24.013 31.926 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.134 23.084 30.674 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.784 22.177 32.025 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.120 24.970 32.625 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.662 24.720 30.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.452 24.360 32.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.086 22.910 31.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.560 23.152 33.347 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.668 19.942 33.605 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.328 18.616 34.113 1.00 0.00 C ATOM 1175 C ASN A 76 0.539 18.739 35.359 1.00 0.00 C ATOM 1176 O ASN A 76 1.563 19.421 35.351 1.00 0.00 O ATOM 1177 CB ASN A 76 0.407 17.816 33.041 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.491 16.710 32.500 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -1.446 16.294 33.157 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -0.185 16.231 31.300 1.00 0.00 N ATOM 0 H ASN A 76 -0.375 20.710 34.208 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.248 18.093 34.374 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.712 18.476 32.229 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.316 17.384 33.459 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.750 15.489 30.888 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.615 16.605 30.790 1.00 0.00 H new ATOM 1187 N VAL A 77 0.117 18.079 36.433 1.00 0.00 N ATOM 1188 CA VAL A 77 0.847 18.117 37.695 1.00 0.00 C ATOM 1189 C VAL A 77 2.084 17.230 37.630 1.00 0.00 C ATOM 1190 O VAL A 77 2.123 16.252 36.883 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.063 17.662 38.833 1.00 0.00 C ATOM 1192 CG1 VAL A 77 0.691 17.660 40.160 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.295 18.558 38.920 1.00 0.00 C ATOM 0 H VAL A 77 -0.729 17.510 36.454 1.00 0.00 H new ATOM 0 HA VAL A 77 1.169 19.142 37.879 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.389 16.643 38.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.024 17.333 40.957 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.540 16.979 40.095 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.049 18.667 40.377 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.934 18.220 39.736 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.985 19.587 39.104 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.848 18.508 37.982 1.00 0.00 H new ATOM 1203 N PHE A 78 3.092 17.579 38.423 1.00 0.00 N ATOM 1204 CA PHE A 78 4.338 16.819 38.468 1.00 0.00 C ATOM 1205 C PHE A 78 4.796 16.648 39.909 1.00 0.00 C ATOM 1206 O PHE A 78 5.019 17.627 40.621 1.00 0.00 O ATOM 1207 CB PHE A 78 5.417 17.534 37.660 1.00 0.00 C ATOM 1208 CG PHE A 78 4.946 17.938 36.287 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.800 16.982 35.297 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.655 19.264 36.016 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.363 17.351 34.036 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.218 19.634 34.755 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.073 18.677 33.765 1.00 0.00 C ATOM 0 H PHE A 78 3.071 18.386 39.046 1.00 0.00 H new ATOM 0 HA PHE A 78 4.164 15.834 38.034 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.743 18.421 38.203 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.285 16.882 37.564 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.027 15.947 35.508 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.769 20.010 36.788 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.248 16.604 33.264 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.990 20.668 34.544 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.734 18.965 32.781 1.00 0.00 H new ATOM 1223 N ASP A 79 4.931 15.398 40.335 1.00 0.00 N ATOM 1224 CA ASP A 79 5.360 15.096 41.697 1.00 0.00 C ATOM 1225 C ASP A 79 6.770 14.520 41.696 1.00 0.00 C ATOM 1226 O ASP A 79 7.203 13.911 40.717 1.00 0.00 O ATOM 1227 CB ASP A 79 4.394 14.105 42.339 1.00 0.00 C ATOM 1228 CG ASP A 79 3.185 14.837 42.906 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.680 15.761 42.235 1.00 0.00 O ATOM 1230 OD2 ASP A 79 2.745 14.485 44.021 1.00 0.00 O ATOM 0 H ASP A 79 4.750 14.577 39.758 1.00 0.00 H new ATOM 0 HA ASP A 79 5.362 16.020 42.275 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.070 13.372 41.600 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.900 13.556 43.133 1.00 0.00 H new ATOM 1235 N ASP A 80 7.482 14.713 42.801 1.00 0.00 N ATOM 1236 CA ASP A 80 8.846 14.212 42.937 1.00 0.00 C ATOM 1237 C ASP A 80 9.746 14.802 41.858 1.00 0.00 C ATOM 1238 O ASP A 80 10.706 14.167 41.424 1.00 0.00 O ATOM 1239 CB ASP A 80 8.851 12.689 42.838 1.00 0.00 C ATOM 1240 CG ASP A 80 9.910 12.104 43.764 1.00 0.00 C ATOM 1241 OD1 ASP A 80 11.095 12.472 43.620 1.00 0.00 O ATOM 1242 OD2 ASP A 80 9.553 11.279 44.631 1.00 0.00 O ATOM 0 H ASP A 80 7.136 15.215 43.619 1.00 0.00 H new ATOM 0 HA ASP A 80 9.230 14.513 43.912 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.869 12.297 43.103 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.048 12.385 41.810 1.00 0.00 H new ATOM 1247 N VAL A 81 9.433 16.021 41.428 1.00 0.00 N ATOM 1248 CA VAL A 81 10.221 16.692 40.398 1.00 0.00 C ATOM 1249 C VAL A 81 11.665 16.856 40.863 1.00 0.00 C ATOM 1250 O VAL A 81 12.561 16.156 40.391 1.00 0.00 O ATOM 1251 CB VAL A 81 9.609 18.056 40.077 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.473 18.817 39.073 1.00 0.00 C ATOM 1253 CG2 VAL A 81 8.192 17.889 39.534 1.00 0.00 C ATOM 0 H VAL A 81 8.642 16.563 41.775 1.00 0.00 H new ATOM 0 HA VAL A 81 10.214 16.082 39.494 1.00 0.00 H new ATOM 0 HB VAL A 81 9.566 18.634 41.000 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.017 19.784 38.860 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.468 18.969 39.491 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.551 18.242 38.150 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.770 18.869 39.310 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.219 17.289 38.624 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.573 17.389 40.279 1.00 0.00 H new ATOM 1263 N VAL A 82 11.886 17.784 41.789 1.00 0.00 N ATOM 1264 CA VAL A 82 13.223 18.038 42.317 1.00 0.00 C ATOM 1265 C VAL A 82 13.513 17.116 43.498 1.00 0.00 C ATOM 1266 O VAL A 82 12.645 16.880 44.339 1.00 0.00 O ATOM 1267 CB VAL A 82 13.342 19.495 42.759 1.00 0.00 C ATOM 1268 CG1 VAL A 82 14.754 19.788 43.259 1.00 0.00 C ATOM 1269 CG2 VAL A 82 12.973 20.434 41.614 1.00 0.00 C ATOM 0 H VAL A 82 11.156 18.373 42.190 1.00 0.00 H new ATOM 0 HA VAL A 82 13.950 17.841 41.530 1.00 0.00 H new ATOM 0 HB VAL A 82 12.645 19.664 43.579 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.821 20.831 43.570 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.981 19.141 44.106 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.470 19.602 42.458 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.064 21.468 41.948 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.645 20.264 40.773 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.946 20.242 41.303 1.00 0.00 H new ATOM 1279 N PRO A 83 14.745 16.582 43.579 1.00 0.00 N ATOM 1280 CA PRO A 83 15.148 15.682 44.671 1.00 0.00 C ATOM 1281 C PRO A 83 15.361 16.431 45.981 1.00 0.00 C ATOM 1282 O PRO A 83 14.993 17.599 46.107 1.00 0.00 O ATOM 1283 CB PRO A 83 16.454 15.070 44.182 1.00 0.00 C ATOM 1284 CG PRO A 83 17.012 16.055 43.208 1.00 0.00 C ATOM 1285 CD PRO A 83 15.843 16.811 42.624 1.00 0.00 C ATOM 0 HA PRO A 83 14.381 14.938 44.887 1.00 0.00 H new ATOM 0 HB2 PRO A 83 17.143 14.902 45.009 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.282 14.103 43.709 1.00 0.00 H new ATOM 0 HG2 PRO A 83 17.703 16.737 43.703 1.00 0.00 H new ATOM 0 HG3 PRO A 83 17.573 15.546 42.424 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.067 17.873 42.523 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.588 16.443 41.630 1.00 0.00 H new ATOM 1293 N GLU A 84 15.958 15.752 46.955 1.00 0.00 N ATOM 1294 CA GLU A 84 16.222 16.352 48.258 1.00 0.00 C ATOM 1295 C GLU A 84 17.411 17.301 48.173 1.00 0.00 C ATOM 1296 O GLU A 84 17.270 18.508 48.374 1.00 0.00 O ATOM 1297 CB GLU A 84 16.499 15.261 49.288 1.00 0.00 C ATOM 1298 CG GLU A 84 15.343 14.268 49.366 1.00 0.00 C ATOM 1299 CD GLU A 84 15.849 12.903 49.814 1.00 0.00 C ATOM 1300 OE1 GLU A 84 17.001 12.556 49.481 1.00 0.00 O ATOM 1301 OE2 GLU A 84 15.091 12.182 50.497 1.00 0.00 O ATOM 0 H GLU A 84 16.269 14.784 46.866 1.00 0.00 H new ATOM 0 HA GLU A 84 15.343 16.919 48.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.417 14.735 49.026 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.660 15.714 50.267 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.589 14.631 50.064 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.861 14.183 48.392 1.00 0.00 H new ATOM 1308 N LYS A 85 18.582 16.750 47.872 1.00 0.00 N ATOM 1309 CA LYS A 85 19.799 17.548 47.757 1.00 0.00 C ATOM 1310 C LYS A 85 20.061 17.904 46.300 1.00 0.00 C ATOM 1311 O LYS A 85 21.116 17.584 45.751 1.00 0.00 O ATOM 1312 CB LYS A 85 20.986 16.775 48.326 1.00 0.00 C ATOM 1313 CG LYS A 85 22.071 17.721 48.831 1.00 0.00 C ATOM 1314 CD LYS A 85 21.720 18.282 50.206 1.00 0.00 C ATOM 1315 CE LYS A 85 22.086 17.300 51.314 1.00 0.00 C ATOM 1316 NZ LYS A 85 21.814 17.876 52.661 1.00 0.00 N ATOM 0 H LYS A 85 18.715 15.753 47.703 1.00 0.00 H new ATOM 0 HA LYS A 85 19.669 18.469 48.325 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.649 16.136 49.142 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.399 16.121 47.558 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.022 17.192 48.884 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.201 18.540 48.124 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.247 19.223 50.363 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.653 18.502 50.250 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.517 16.379 51.189 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.141 17.036 51.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.073 17.184 53.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.376 18.742 52.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.803 18.104 52.743 1.00 0.00 H new ATOM 1330 N TYR A 86 19.093 18.568 45.675 1.00 0.00 N ATOM 1331 CA TYR A 86 19.215 18.968 44.277 1.00 0.00 C ATOM 1332 C TYR A 86 20.521 19.716 44.049 1.00 0.00 C ATOM 1333 O TYR A 86 21.021 20.401 44.941 1.00 0.00 O ATOM 1334 CB TYR A 86 18.036 19.853 43.883 1.00 0.00 C ATOM 1335 CG TYR A 86 17.964 21.128 44.685 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.742 22.217 44.329 1.00 0.00 C ATOM 1337 CD2 TYR A 86 17.118 21.214 45.778 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.674 23.388 45.066 1.00 0.00 C ATOM 1339 CE2 TYR A 86 17.051 22.386 46.513 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.829 23.467 46.154 1.00 0.00 C ATOM 1341 OH TYR A 86 17.761 24.631 46.884 1.00 0.00 O ATOM 0 H TYR A 86 18.214 18.841 46.115 1.00 0.00 H new ATOM 0 HA TYR A 86 19.213 18.071 43.658 1.00 0.00 H new ATOM 0 HB2 TYR A 86 18.112 20.100 42.824 1.00 0.00 H new ATOM 0 HB3 TYR A 86 17.109 19.294 44.015 1.00 0.00 H new ATOM 0 HD1 TYR A 86 19.402 22.153 43.476 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.510 20.366 46.058 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.281 24.237 44.790 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.391 22.453 47.365 1.00 0.00 H new ATOM 0 HH TYR A 86 17.118 24.521 47.615 1.00 0.00 H new ATOM 1351 N THR A 87 21.068 19.581 42.845 1.00 0.00 N ATOM 1352 CA THR A 87 22.317 20.246 42.490 1.00 0.00 C ATOM 1353 C THR A 87 22.113 21.128 41.265 1.00 0.00 C ATOM 1354 O THR A 87 21.911 20.631 40.157 1.00 0.00 O ATOM 1355 CB THR A 87 23.401 19.208 42.211 1.00 0.00 C ATOM 1356 OG1 THR A 87 23.309 18.147 43.150 1.00 0.00 O ATOM 1357 CG2 THR A 87 24.787 19.842 42.275 1.00 0.00 C ATOM 0 H THR A 87 20.665 19.016 42.097 1.00 0.00 H new ATOM 0 HA THR A 87 22.632 20.871 43.325 1.00 0.00 H new ATOM 0 HB THR A 87 23.249 18.813 41.206 1.00 0.00 H new ATOM 0 HG1 THR A 87 24.006 17.484 42.964 1.00 0.00 H new ATOM 0 HG21 THR A 87 25.544 19.084 42.073 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.859 20.634 41.530 1.00 0.00 H new ATOM 0 HG23 THR A 87 24.950 20.262 43.268 1.00 0.00 H new ATOM 1365 N ILE A 88 22.162 22.440 41.472 1.00 0.00 N ATOM 1366 CA ILE A 88 21.977 23.398 40.384 1.00 0.00 C ATOM 1367 C ILE A 88 22.883 23.051 39.209 1.00 0.00 C ATOM 1368 O ILE A 88 24.078 23.346 39.223 1.00 0.00 O ATOM 1369 CB ILE A 88 22.277 24.809 40.878 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.392 25.151 42.074 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.074 25.825 39.759 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.223 25.354 43.337 1.00 0.00 C ATOM 0 H ILE A 88 22.328 22.866 42.384 1.00 0.00 H new ATOM 0 HA ILE A 88 20.941 23.350 40.048 1.00 0.00 H new ATOM 0 HB ILE A 88 23.320 24.849 41.193 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.823 26.056 41.861 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.670 24.351 42.236 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.293 26.826 40.132 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.743 25.592 38.930 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.041 25.785 39.414 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.564 25.596 44.171 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.772 24.440 43.562 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.927 26.171 43.182 1.00 0.00 H new ATOM 1384 N GLY A 89 22.303 22.421 38.194 1.00 0.00 N ATOM 1385 CA GLY A 89 23.050 22.025 37.004 1.00 0.00 C ATOM 1386 C GLY A 89 22.651 20.622 36.565 1.00 0.00 C ATOM 1387 O GLY A 89 23.505 19.794 36.246 1.00 0.00 O ATOM 0 H GLY A 89 21.314 22.172 38.171 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.861 22.732 36.197 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.120 22.057 37.212 1.00 0.00 H new ATOM 1391 N ALA A 90 21.348 20.359 36.553 1.00 0.00 N ATOM 1392 CA ALA A 90 20.830 19.055 36.157 1.00 0.00 C ATOM 1393 C ALA A 90 19.328 19.133 35.915 1.00 0.00 C ATOM 1394 O ALA A 90 18.731 20.207 36.000 1.00 0.00 O ATOM 1395 CB ALA A 90 21.127 18.025 37.243 1.00 0.00 C ATOM 0 H ALA A 90 20.630 21.035 36.814 1.00 0.00 H new ATOM 0 HA ALA A 90 21.319 18.751 35.232 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.737 17.054 36.940 1.00 0.00 H new ATOM 0 HB2 ALA A 90 22.204 17.953 37.391 1.00 0.00 H new ATOM 0 HB3 ALA A 90 20.652 18.332 38.175 1.00 0.00 H new ATOM 1401 N THR A 91 18.723 17.990 35.612 1.00 0.00 N ATOM 1402 CA THR A 91 17.288 17.927 35.354 1.00 0.00 C ATOM 1403 C THR A 91 16.605 16.999 36.351 1.00 0.00 C ATOM 1404 O THR A 91 17.122 15.929 36.674 1.00 0.00 O ATOM 1405 CB THR A 91 17.038 17.433 33.932 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.690 18.283 33.002 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.543 17.379 33.632 1.00 0.00 C ATOM 0 H THR A 91 19.204 17.093 35.539 1.00 0.00 H new ATOM 0 HA THR A 91 16.871 18.927 35.467 1.00 0.00 H new ATOM 0 HB THR A 91 17.443 16.425 33.842 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.526 17.959 32.092 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.389 17.024 32.613 1.00 0.00 H new ATOM 0 HG22 THR A 91 15.056 16.699 34.331 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.114 18.376 33.738 1.00 0.00 H new ATOM 1415 N TYR A 92 15.438 17.414 36.833 1.00 0.00 N ATOM 1416 CA TYR A 92 14.674 16.622 37.792 1.00 0.00 C ATOM 1417 C TYR A 92 13.182 16.769 37.524 1.00 0.00 C ATOM 1418 O TYR A 92 12.596 17.818 37.790 1.00 0.00 O ATOM 1419 CB TYR A 92 14.991 17.072 39.216 1.00 0.00 C ATOM 1420 CG TYR A 92 16.447 17.407 39.422 1.00 0.00 C ATOM 1421 CD1 TYR A 92 17.386 16.393 39.512 1.00 0.00 C ATOM 1422 CD2 TYR A 92 16.847 18.728 39.525 1.00 0.00 C ATOM 1423 CE1 TYR A 92 18.723 16.702 39.705 1.00 0.00 C ATOM 1424 CE2 TYR A 92 18.184 19.035 39.719 1.00 0.00 C ATOM 1425 CZ TYR A 92 19.115 18.021 39.808 1.00 0.00 C ATOM 1426 OH TYR A 92 20.444 18.329 40.002 1.00 0.00 O ATOM 0 H TYR A 92 14.999 18.298 36.574 1.00 0.00 H new ATOM 0 HA TYR A 92 14.953 15.574 37.680 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.386 17.946 39.457 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.704 16.284 39.912 1.00 0.00 H new ATOM 0 HD1 TYR A 92 17.076 15.361 39.432 1.00 0.00 H new ATOM 0 HD2 TYR A 92 16.116 19.520 39.454 1.00 0.00 H new ATOM 0 HE1 TYR A 92 19.456 15.912 39.775 1.00 0.00 H new ATOM 0 HE2 TYR A 92 18.497 20.066 39.800 1.00 0.00 H new ATOM 0 HH TYR A 92 20.560 19.302 39.988 1.00 0.00 H new ATOM 1436 N ALA A 93 12.570 15.714 36.994 1.00 0.00 N ATOM 1437 CA ALA A 93 11.142 15.730 36.689 1.00 0.00 C ATOM 1438 C ALA A 93 10.727 14.430 36.008 1.00 0.00 C ATOM 1439 O ALA A 93 11.560 13.560 35.755 1.00 0.00 O ATOM 1440 CB ALA A 93 10.815 16.917 35.787 1.00 0.00 C ATOM 0 H ALA A 93 13.040 14.838 36.767 1.00 0.00 H new ATOM 0 HA ALA A 93 10.588 15.827 37.623 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.748 16.922 35.564 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.084 17.844 36.294 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.379 16.834 34.858 1.00 0.00 H new ATOM 1446 N PRO A 94 9.426 14.281 35.702 1.00 0.00 N ATOM 1447 CA PRO A 94 8.901 13.076 35.047 1.00 0.00 C ATOM 1448 C PRO A 94 9.188 13.067 33.550 1.00 0.00 C ATOM 1449 O PRO A 94 8.559 13.860 32.819 1.00 0.00 O ATOM 1450 CB PRO A 94 7.403 13.140 35.309 1.00 0.00 C ATOM 1451 CG PRO A 94 7.091 14.588 35.519 1.00 0.00 C ATOM 1452 CD PRO A 94 8.365 15.267 35.969 1.00 0.00 C ATOM 0 HA PRO A 94 9.365 12.168 35.433 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.841 12.736 34.467 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.133 12.550 36.185 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.722 15.038 34.598 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.308 14.707 36.268 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.536 16.192 35.419 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.323 15.528 37.027 1.00 0.00 H new