USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 SER OG : rot -104:sc= 0.766 USER MOD Set 2.1: A 12 THR OG1 : rot -86:sc= 1.19 USER MOD Set 2.2: A 18 SER OG : rot 154:sc= -1.5! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.4! C(o=-1.4!,f=-11!) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= -0.405 (180deg=-1.48!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -106:sc= 0 (180deg=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.34! C(o=-1.3!,f=-7!) USER MOD Single : A 52 TYR OH : rot 161:sc= -1.63 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.25) USER MOD Single : A 57 ASN : amide:sc= -2.5! K(o=-2.5!,f=-1.1) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.00049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.790 -10.290 -3.525 1.00 0.00 N ATOM 2 CA MET A 1 -4.595 -10.408 -2.654 1.00 0.00 C ATOM 3 C MET A 1 -4.211 -9.059 -2.054 1.00 0.00 C ATOM 4 O MET A 1 -3.789 -8.155 -2.775 1.00 0.00 O ATOM 5 CB MET A 1 -3.437 -10.975 -3.483 1.00 0.00 C ATOM 6 CG MET A 1 -3.063 -12.402 -3.108 1.00 0.00 C ATOM 7 SD MET A 1 -3.077 -13.528 -4.518 1.00 0.00 S ATOM 8 CE MET A 1 -1.376 -14.089 -4.523 1.00 0.00 C ATOM 0 H1 MET A 1 -6.027 -11.223 -3.918 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.593 -9.936 -2.967 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.590 -9.628 -4.302 1.00 0.00 H new ATOM 0 HA MET A 1 -4.822 -11.078 -1.825 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.707 -10.944 -4.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.564 -10.334 -3.359 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.071 -12.405 -2.657 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.758 -12.767 -2.352 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.228 -14.794 -5.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.712 -13.235 -4.655 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.152 -14.580 -3.576 1.00 0.00 H new ATOM 20 N GLU A 2 -4.380 -8.912 -0.744 1.00 0.00 N ATOM 21 CA GLU A 2 -4.098 -7.631 -0.103 1.00 0.00 C ATOM 22 C GLU A 2 -2.754 -7.581 0.615 1.00 0.00 C ATOM 23 O GLU A 2 -2.035 -8.572 0.737 1.00 0.00 O ATOM 24 CB GLU A 2 -5.210 -7.300 0.900 1.00 0.00 C ATOM 25 CG GLU A 2 -6.282 -6.362 0.364 1.00 0.00 C ATOM 26 CD GLU A 2 -7.414 -7.098 -0.327 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.138 -8.105 -1.012 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.577 -6.665 -0.181 1.00 0.00 O ATOM 0 H GLU A 2 -4.704 -9.647 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.055 -6.895 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.683 -8.229 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.761 -6.851 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.687 -5.772 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.828 -5.662 -0.337 1.00 0.00 H new ATOM 35 N ALA A 3 -2.461 -6.376 1.091 1.00 0.00 N ATOM 36 CA ALA A 3 -1.239 -6.067 1.814 1.00 0.00 C ATOM 37 C ALA A 3 -1.555 -5.177 3.003 1.00 0.00 C ATOM 38 O ALA A 3 -2.465 -4.350 2.931 1.00 0.00 O ATOM 39 CB ALA A 3 -0.261 -5.369 0.884 1.00 0.00 C ATOM 0 H ALA A 3 -3.080 -5.573 0.981 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.789 -6.991 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.655 -5.137 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.029 -6.022 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.707 -4.446 0.514 1.00 0.00 H new ATOM 45 N ILE A 4 -0.781 -5.286 4.068 1.00 0.00 N ATOM 46 CA ILE A 4 -0.990 -4.450 5.236 1.00 0.00 C ATOM 47 C ILE A 4 0.069 -3.350 5.288 1.00 0.00 C ATOM 48 O ILE A 4 1.210 -3.578 4.897 1.00 0.00 O ATOM 49 CB ILE A 4 -0.968 -5.320 6.522 1.00 0.00 C ATOM 50 CG1 ILE A 4 -2.387 -5.749 6.881 1.00 0.00 C ATOM 51 CG2 ILE A 4 -0.339 -4.596 7.704 1.00 0.00 C ATOM 52 CD1 ILE A 4 -3.240 -4.608 7.387 1.00 0.00 C ATOM 0 H ILE A 4 -0.005 -5.943 4.148 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.967 -3.972 5.170 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.353 -6.194 6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.861 -6.188 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.343 -6.528 7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.349 -5.248 8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.690 -4.329 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.907 -3.691 7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.237 -4.977 7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.786 -4.184 8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.312 -3.839 6.618 1.00 0.00 H new ATOM 64 N ALA A 5 -0.289 -2.193 5.844 1.00 0.00 N ATOM 65 CA ALA A 5 0.665 -1.088 5.966 1.00 0.00 C ATOM 66 C ALA A 5 0.365 -0.233 7.167 1.00 0.00 C ATOM 67 O ALA A 5 -0.555 0.588 7.114 1.00 0.00 O ATOM 68 CB ALA A 5 0.633 -0.200 4.750 1.00 0.00 C ATOM 0 H ALA A 5 -1.219 -1.996 6.213 1.00 0.00 H new ATOM 0 HA ALA A 5 1.650 -1.544 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.352 0.610 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.890 -0.784 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.367 0.217 4.630 1.00 0.00 H new ATOM 74 N LYS A 6 1.133 -0.341 8.222 1.00 0.00 N ATOM 75 CA LYS A 6 0.835 0.503 9.362 1.00 0.00 C ATOM 76 C LYS A 6 1.745 1.714 9.480 1.00 0.00 C ATOM 77 O LYS A 6 2.832 1.638 10.048 1.00 0.00 O ATOM 78 CB LYS A 6 0.935 -0.354 10.617 1.00 0.00 C ATOM 79 CG LYS A 6 0.467 0.319 11.898 1.00 0.00 C ATOM 80 CD LYS A 6 0.483 -0.664 13.066 1.00 0.00 C ATOM 81 CE LYS A 6 1.489 -0.263 14.138 1.00 0.00 C ATOM 82 NZ LYS A 6 2.654 -1.190 14.182 1.00 0.00 N ATOM 0 H LYS A 6 1.931 -0.969 8.321 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.170 0.905 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.349 -1.261 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.972 -0.663 10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.111 1.169 12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.541 0.711 11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.513 -0.720 13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.725 -1.661 12.697 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.839 0.751 13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.997 -0.251 15.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.315 -0.882 14.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.323 -2.154 14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.139 -1.182 13.262 1.00 0.00 H new ATOM 96 N HIS A 7 1.224 2.863 9.026 1.00 0.00 N ATOM 97 CA HIS A 7 1.889 4.153 9.175 1.00 0.00 C ATOM 98 C HIS A 7 0.817 5.229 8.923 1.00 0.00 C ATOM 99 O HIS A 7 0.157 5.158 7.883 1.00 0.00 O ATOM 100 CB HIS A 7 3.061 4.286 8.207 1.00 0.00 C ATOM 101 CG HIS A 7 4.375 4.511 8.864 1.00 0.00 C ATOM 102 ND1 HIS A 7 5.306 3.513 9.014 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.929 5.627 9.382 1.00 0.00 C ATOM 104 CE1 HIS A 7 6.383 4.004 9.593 1.00 0.00 C ATOM 105 NE2 HIS A 7 6.183 5.288 9.829 1.00 0.00 N ATOM 0 H HIS A 7 0.326 2.917 8.544 1.00 0.00 H new ATOM 0 HA HIS A 7 2.315 4.262 10.173 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.121 3.382 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.862 5.113 7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.472 6.604 9.435 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.278 3.450 9.834 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.849 5.922 10.270 1.00 0.00 H new ATOM 114 N ASP A 8 0.647 6.265 9.754 1.00 0.00 N ATOM 115 CA ASP A 8 -0.348 7.285 9.410 1.00 0.00 C ATOM 116 C ASP A 8 0.099 8.002 8.142 1.00 0.00 C ATOM 117 O ASP A 8 1.294 8.112 7.872 1.00 0.00 O ATOM 118 CB ASP A 8 -0.563 8.323 10.511 1.00 0.00 C ATOM 119 CG ASP A 8 -1.792 9.185 10.276 1.00 0.00 C ATOM 120 OD1 ASP A 8 -2.781 8.676 9.707 1.00 0.00 O ATOM 121 OD2 ASP A 8 -1.761 10.372 10.663 1.00 0.00 O ATOM 0 H ASP A 8 1.156 6.416 10.625 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.297 6.767 9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.660 7.814 11.470 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.317 8.963 10.577 1.00 0.00 H new ATOM 126 N PHE A 9 -0.858 8.565 7.411 1.00 0.00 N ATOM 127 CA PHE A 9 -0.533 9.342 6.220 1.00 0.00 C ATOM 128 C PHE A 9 -1.695 10.262 5.851 1.00 0.00 C ATOM 129 O PHE A 9 -2.748 9.819 5.388 1.00 0.00 O ATOM 130 CB PHE A 9 -0.200 8.413 5.050 1.00 0.00 C ATOM 131 CG PHE A 9 1.033 8.808 4.283 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.163 10.084 3.755 1.00 0.00 C ATOM 133 CD2 PHE A 9 2.061 7.900 4.089 1.00 0.00 C ATOM 134 CE1 PHE A 9 2.295 10.444 3.049 1.00 0.00 C ATOM 135 CE2 PHE A 9 3.195 8.255 3.385 1.00 0.00 C ATOM 136 CZ PHE A 9 3.312 9.529 2.865 1.00 0.00 C ATOM 0 H PHE A 9 -1.854 8.499 7.619 1.00 0.00 H new ATOM 0 HA PHE A 9 0.342 9.955 6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.069 7.400 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.048 8.390 4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.371 10.804 3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.975 6.902 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.384 11.440 2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.989 7.537 3.241 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.198 9.809 2.315 1.00 0.00 H new ATOM 146 N SER A 10 -1.434 11.566 6.006 1.00 0.00 N ATOM 147 CA SER A 10 -2.427 12.561 5.604 1.00 0.00 C ATOM 148 C SER A 10 -1.877 13.407 4.454 1.00 0.00 C ATOM 149 O SER A 10 -2.127 13.121 3.283 1.00 0.00 O ATOM 150 CB SER A 10 -2.906 13.486 6.732 1.00 0.00 C ATOM 151 OG SER A 10 -3.890 12.848 7.525 1.00 0.00 O ATOM 0 H SER A 10 -0.571 11.945 6.395 1.00 0.00 H new ATOM 0 HA SER A 10 -3.302 11.989 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.060 13.773 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.314 14.403 6.307 1.00 0.00 H new ATOM 0 HG SER A 10 -4.179 13.455 8.238 1.00 0.00 H new ATOM 157 N ALA A 11 -1.154 14.479 4.806 1.00 0.00 N ATOM 158 CA ALA A 11 -0.595 15.370 3.783 1.00 0.00 C ATOM 159 C ALA A 11 0.039 14.534 2.674 1.00 0.00 C ATOM 160 O ALA A 11 0.825 13.622 2.934 1.00 0.00 O ATOM 161 CB ALA A 11 0.437 16.307 4.395 1.00 0.00 C ATOM 0 H ALA A 11 -0.946 14.746 5.768 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.397 15.977 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.840 16.960 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.035 16.911 5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.245 15.722 4.833 1.00 0.00 H new ATOM 167 N THR A 12 -0.374 14.822 1.439 1.00 0.00 N ATOM 168 CA THR A 12 0.079 14.054 0.286 1.00 0.00 C ATOM 169 C THR A 12 0.226 14.870 -1.020 1.00 0.00 C ATOM 170 O THR A 12 0.548 16.059 -0.980 1.00 0.00 O ATOM 171 CB THR A 12 -0.969 12.953 0.064 1.00 0.00 C ATOM 172 OG1 THR A 12 -2.208 13.319 0.656 1.00 0.00 O ATOM 173 CG2 THR A 12 -0.530 11.618 0.639 1.00 0.00 C ATOM 0 H THR A 12 -1.019 15.580 1.215 1.00 0.00 H new ATOM 0 HA THR A 12 1.078 13.678 0.506 1.00 0.00 H new ATOM 0 HB THR A 12 -1.083 12.844 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.210 13.055 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.303 10.872 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.398 11.303 0.161 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.369 11.719 1.712 1.00 0.00 H new ATOM 181 N ALA A 13 -0.033 14.233 -2.159 1.00 0.00 N ATOM 182 CA ALA A 13 0.001 14.871 -3.471 1.00 0.00 C ATOM 183 C ALA A 13 -0.711 13.958 -4.461 1.00 0.00 C ATOM 184 O ALA A 13 -0.991 12.804 -4.135 1.00 0.00 O ATOM 185 CB ALA A 13 1.406 15.150 -3.991 1.00 0.00 C ATOM 0 H ALA A 13 -0.276 13.243 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.488 15.839 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.344 15.625 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.925 15.813 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.955 14.212 -4.076 1.00 0.00 H new ATOM 191 N ASP A 14 -0.959 14.429 -5.685 1.00 0.00 N ATOM 192 CA ASP A 14 -1.585 13.610 -6.722 1.00 0.00 C ATOM 193 C ASP A 14 -0.605 12.547 -7.224 1.00 0.00 C ATOM 194 O ASP A 14 -0.560 12.233 -8.412 1.00 0.00 O ATOM 195 CB ASP A 14 -2.064 14.456 -7.904 1.00 0.00 C ATOM 196 CG ASP A 14 -3.450 14.065 -8.375 1.00 0.00 C ATOM 197 OD1 ASP A 14 -4.428 14.384 -7.669 1.00 0.00 O ATOM 198 OD2 ASP A 14 -3.557 13.439 -9.450 1.00 0.00 O ATOM 0 H ASP A 14 -0.734 15.379 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.454 13.129 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.065 15.508 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.360 14.351 -8.730 1.00 0.00 H new ATOM 203 N ASP A 15 0.151 11.983 -6.293 1.00 0.00 N ATOM 204 CA ASP A 15 1.111 10.939 -6.607 1.00 0.00 C ATOM 205 C ASP A 15 1.337 10.080 -5.379 1.00 0.00 C ATOM 206 O ASP A 15 1.337 8.853 -5.471 1.00 0.00 O ATOM 207 CB ASP A 15 2.422 11.547 -7.110 1.00 0.00 C ATOM 208 CG ASP A 15 2.518 11.511 -8.622 1.00 0.00 C ATOM 209 OD1 ASP A 15 2.590 10.398 -9.185 1.00 0.00 O ATOM 210 OD2 ASP A 15 2.519 12.594 -9.245 1.00 0.00 O ATOM 0 H ASP A 15 0.116 12.235 -5.305 1.00 0.00 H new ATOM 0 HA ASP A 15 0.716 10.311 -7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.500 12.578 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.263 11.003 -6.680 1.00 0.00 H new ATOM 215 N GLU A 16 1.518 10.709 -4.223 1.00 0.00 N ATOM 216 CA GLU A 16 1.727 9.956 -3.002 1.00 0.00 C ATOM 217 C GLU A 16 0.388 9.608 -2.353 1.00 0.00 C ATOM 218 O GLU A 16 -0.376 10.491 -1.969 1.00 0.00 O ATOM 219 CB GLU A 16 2.593 10.753 -2.021 1.00 0.00 C ATOM 220 CG GLU A 16 4.080 10.709 -2.335 1.00 0.00 C ATOM 221 CD GLU A 16 4.945 10.954 -1.113 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.681 10.328 -0.067 1.00 0.00 O ATOM 223 OE2 GLU A 16 5.889 11.769 -1.205 1.00 0.00 O ATOM 0 H GLU A 16 1.524 11.723 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 16 2.245 9.031 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.262 11.792 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.433 10.367 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.328 9.737 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.309 11.458 -3.093 1.00 0.00 H new ATOM 230 N LEU A 17 0.084 8.317 -2.301 1.00 0.00 N ATOM 231 CA LEU A 17 -1.184 7.853 -1.748 1.00 0.00 C ATOM 232 C LEU A 17 -1.142 7.844 -0.221 1.00 0.00 C ATOM 233 O LEU A 17 -0.276 7.208 0.379 1.00 0.00 O ATOM 234 CB LEU A 17 -1.462 6.429 -2.227 1.00 0.00 C ATOM 235 CG LEU A 17 -2.809 6.260 -2.925 1.00 0.00 C ATOM 236 CD1 LEU A 17 -3.946 6.545 -1.958 1.00 0.00 C ATOM 237 CD2 LEU A 17 -2.898 7.193 -4.122 1.00 0.00 C ATOM 0 H LEU A 17 0.697 7.573 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.967 8.532 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.669 6.126 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.420 5.754 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.894 5.230 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.900 6.420 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.892 5.852 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.863 7.568 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.863 7.064 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.796 8.225 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.099 6.959 -4.826 1.00 0.00 H new ATOM 249 N SER A 18 -2.118 8.493 0.403 1.00 0.00 N ATOM 250 CA SER A 18 -2.202 8.508 1.859 1.00 0.00 C ATOM 251 C SER A 18 -3.075 7.364 2.361 1.00 0.00 C ATOM 252 O SER A 18 -3.697 6.646 1.580 1.00 0.00 O ATOM 253 CB SER A 18 -2.752 9.843 2.359 1.00 0.00 C ATOM 254 OG SER A 18 -1.736 10.608 2.971 1.00 0.00 O ATOM 0 H SER A 18 -2.857 9.012 -0.071 1.00 0.00 H new ATOM 0 HA SER A 18 -1.194 8.378 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.180 10.400 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.558 9.665 3.071 1.00 0.00 H new ATOM 0 HG SER A 18 -1.961 11.560 2.909 1.00 0.00 H new ATOM 260 N PHE A 19 -3.090 7.199 3.684 1.00 0.00 N ATOM 261 CA PHE A 19 -3.886 6.149 4.312 1.00 0.00 C ATOM 262 C PHE A 19 -3.769 6.204 5.838 1.00 0.00 C ATOM 263 O PHE A 19 -3.206 7.140 6.405 1.00 0.00 O ATOM 264 CB PHE A 19 -3.489 4.766 3.787 1.00 0.00 C ATOM 265 CG PHE A 19 -4.640 3.993 3.203 1.00 0.00 C ATOM 266 CD1 PHE A 19 -5.521 3.305 4.024 1.00 0.00 C ATOM 267 CD2 PHE A 19 -4.844 3.955 1.835 1.00 0.00 C ATOM 268 CE1 PHE A 19 -6.580 2.602 3.492 1.00 0.00 C ATOM 269 CE2 PHE A 19 -5.906 3.250 1.301 1.00 0.00 C ATOM 270 CZ PHE A 19 -6.773 2.575 2.130 1.00 0.00 C ATOM 0 H PHE A 19 -2.562 7.777 4.337 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.929 6.324 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.717 4.883 3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.050 4.189 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.375 3.320 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.167 4.481 1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.259 2.072 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.056 3.229 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.603 2.025 1.712 1.00 0.00 H new ATOM 280 N ARG A 20 -4.337 5.184 6.483 1.00 0.00 N ATOM 281 CA ARG A 20 -4.329 5.064 7.937 1.00 0.00 C ATOM 282 C ARG A 20 -3.392 3.935 8.356 1.00 0.00 C ATOM 283 O ARG A 20 -3.152 3.003 7.582 1.00 0.00 O ATOM 284 CB ARG A 20 -5.747 4.787 8.448 1.00 0.00 C ATOM 285 CG ARG A 20 -6.341 5.935 9.241 1.00 0.00 C ATOM 286 CD ARG A 20 -7.500 5.467 10.103 1.00 0.00 C ATOM 287 NE ARG A 20 -7.658 6.292 11.302 1.00 0.00 N ATOM 288 CZ ARG A 20 -8.737 7.027 11.573 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.760 7.070 10.727 1.00 0.00 N ATOM 290 NH2 ARG A 20 -8.795 7.727 12.696 1.00 0.00 N ATOM 0 H ARG A 20 -4.816 4.418 6.009 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.976 6.000 8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.394 4.570 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.731 3.894 9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.572 6.380 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.683 6.713 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.420 5.495 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.339 4.429 10.395 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.892 6.305 11.975 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.726 6.537 9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.580 7.636 10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.015 7.703 13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.620 8.290 12.904 1.00 0.00 H new ATOM 304 N LYS A 21 -2.902 3.973 9.589 1.00 0.00 N ATOM 305 CA LYS A 21 -2.040 2.906 10.079 1.00 0.00 C ATOM 306 C LYS A 21 -2.838 1.612 10.150 1.00 0.00 C ATOM 307 O LYS A 21 -3.973 1.595 10.616 1.00 0.00 O ATOM 308 CB LYS A 21 -1.490 3.224 11.478 1.00 0.00 C ATOM 309 CG LYS A 21 -1.466 4.708 11.830 1.00 0.00 C ATOM 310 CD LYS A 21 -2.680 5.102 12.659 1.00 0.00 C ATOM 311 CE LYS A 21 -2.300 6.022 13.809 1.00 0.00 C ATOM 312 NZ LYS A 21 -2.998 5.656 15.073 1.00 0.00 N ATOM 0 H LYS A 21 -3.084 4.720 10.259 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.200 2.807 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.093 2.698 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.477 2.830 11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.556 4.937 12.384 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.441 5.300 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.411 5.599 12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.159 4.205 13.053 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.222 5.980 13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.544 7.051 13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.710 6.308 15.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.026 5.721 14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.745 4.683 15.340 1.00 0.00 H new ATOM 326 N THR A 22 -2.203 0.534 9.695 1.00 0.00 N ATOM 327 CA THR A 22 -2.749 -0.814 9.732 1.00 0.00 C ATOM 328 C THR A 22 -3.858 -1.079 8.728 1.00 0.00 C ATOM 329 O THR A 22 -4.286 -2.226 8.585 1.00 0.00 O ATOM 330 CB THR A 22 -3.206 -1.135 11.160 1.00 0.00 C ATOM 331 OG1 THR A 22 -2.915 -2.486 11.475 1.00 0.00 O ATOM 332 CG2 THR A 22 -4.686 -0.915 11.411 1.00 0.00 C ATOM 0 H THR A 22 -1.272 0.579 9.281 1.00 0.00 H new ATOM 0 HA THR A 22 -1.944 -1.484 9.430 1.00 0.00 H new ATOM 0 HB THR A 22 -2.656 -0.438 11.793 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.210 -2.679 12.389 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.921 -1.166 12.445 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.935 0.130 11.226 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.267 -1.550 10.742 1.00 0.00 H new ATOM 340 N GLN A 23 -4.333 -0.057 8.024 1.00 0.00 N ATOM 341 CA GLN A 23 -5.387 -0.303 7.058 1.00 0.00 C ATOM 342 C GLN A 23 -4.855 -1.077 5.857 1.00 0.00 C ATOM 343 O GLN A 23 -3.703 -0.922 5.452 1.00 0.00 O ATOM 344 CB GLN A 23 -6.141 0.960 6.632 1.00 0.00 C ATOM 345 CG GLN A 23 -7.537 1.064 7.221 1.00 0.00 C ATOM 346 CD GLN A 23 -8.436 -0.084 6.806 1.00 0.00 C ATOM 347 OE1 GLN A 23 -8.002 -1.232 6.722 1.00 0.00 O ATOM 348 NE2 GLN A 23 -9.698 0.225 6.539 1.00 0.00 N ATOM 0 H GLN A 23 -4.018 0.910 8.100 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.127 -0.921 7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.564 1.835 6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.212 0.981 5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.467 1.090 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.989 2.005 6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.015 1.191 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.351 -0.503 6.251 1.00 0.00 H new ATOM 357 N ILE A 24 -5.707 -1.955 5.333 1.00 0.00 N ATOM 358 CA ILE A 24 -5.353 -2.828 4.216 1.00 0.00 C ATOM 359 C ILE A 24 -5.486 -2.129 2.870 1.00 0.00 C ATOM 360 O ILE A 24 -6.518 -1.532 2.567 1.00 0.00 O ATOM 361 CB ILE A 24 -6.258 -4.079 4.189 1.00 0.00 C ATOM 362 CG1 ILE A 24 -7.733 -3.676 4.270 1.00 0.00 C ATOM 363 CG2 ILE A 24 -5.908 -5.010 5.333 1.00 0.00 C ATOM 364 CD1 ILE A 24 -8.525 -4.031 3.034 1.00 0.00 C ATOM 0 H ILE A 24 -6.661 -2.081 5.670 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.311 -3.108 4.372 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.091 -4.603 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.187 -4.161 5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.799 -2.601 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.555 -5.887 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.868 -5.323 5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.049 -4.491 6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.561 -3.716 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.096 -3.524 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.490 -5.109 2.877 1.00 0.00 H new ATOM 376 N LEU A 25 -4.443 -2.241 2.053 1.00 0.00 N ATOM 377 CA LEU A 25 -4.449 -1.644 0.726 1.00 0.00 C ATOM 378 C LEU A 25 -4.524 -2.717 -0.351 1.00 0.00 C ATOM 379 O LEU A 25 -3.978 -3.808 -0.182 1.00 0.00 O ATOM 380 CB LEU A 25 -3.198 -0.806 0.495 1.00 0.00 C ATOM 381 CG LEU A 25 -3.005 0.363 1.450 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.263 -0.094 2.699 1.00 0.00 C ATOM 383 CD2 LEU A 25 -2.264 1.490 0.740 1.00 0.00 C ATOM 0 H LEU A 25 -3.585 -2.740 2.288 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.329 -1.003 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.327 -1.458 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.224 -0.419 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.978 0.741 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.131 0.752 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.839 -0.872 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.287 -0.489 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.128 2.325 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.290 1.132 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.844 1.820 -0.122 1.00 0.00 H new ATOM 395 N LYS A 26 -5.204 -2.422 -1.447 1.00 0.00 N ATOM 396 CA LYS A 26 -5.352 -3.364 -2.546 1.00 0.00 C ATOM 397 C LYS A 26 -4.166 -3.240 -3.515 1.00 0.00 C ATOM 398 O LYS A 26 -4.106 -2.327 -4.337 1.00 0.00 O ATOM 399 CB LYS A 26 -6.648 -3.044 -3.293 1.00 0.00 C ATOM 400 CG LYS A 26 -7.740 -4.090 -3.119 1.00 0.00 C ATOM 401 CD LYS A 26 -8.375 -4.440 -4.459 1.00 0.00 C ATOM 402 CE LYS A 26 -9.564 -3.544 -4.771 1.00 0.00 C ATOM 403 NZ LYS A 26 -10.507 -3.454 -3.623 1.00 0.00 N ATOM 0 H LYS A 26 -5.668 -1.526 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.381 -4.380 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.025 -2.081 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.426 -2.939 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.320 -4.988 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.503 -3.715 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.631 -4.345 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.697 -5.481 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.209 -2.546 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.090 -3.930 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.470 -3.285 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.487 -4.345 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.224 -2.669 -3.002 1.00 0.00 H new ATOM 417 N ILE A 27 -3.222 -4.162 -3.397 1.00 0.00 N ATOM 418 CA ILE A 27 -2.048 -4.130 -4.261 1.00 0.00 C ATOM 419 C ILE A 27 -2.382 -4.734 -5.630 1.00 0.00 C ATOM 420 O ILE A 27 -3.095 -5.734 -5.712 1.00 0.00 O ATOM 421 CB ILE A 27 -0.854 -4.859 -3.603 1.00 0.00 C ATOM 422 CG1 ILE A 27 0.455 -4.464 -4.288 1.00 0.00 C ATOM 423 CG2 ILE A 27 -1.045 -6.371 -3.603 1.00 0.00 C ATOM 424 CD1 ILE A 27 0.644 -5.073 -5.659 1.00 0.00 C ATOM 0 H ILE A 27 -3.242 -4.929 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.754 -3.091 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.804 -4.546 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.493 -3.378 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.289 -4.761 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.185 -6.846 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.948 -6.624 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.139 -6.726 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.596 -4.743 -6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.641 -6.160 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.168 -4.755 -6.313 1.00 0.00 H new ATOM 436 N LEU A 28 -1.974 -4.056 -6.706 1.00 0.00 N ATOM 437 CA LEU A 28 -2.343 -4.490 -8.054 1.00 0.00 C ATOM 438 C LEU A 28 -1.281 -5.316 -8.781 1.00 0.00 C ATOM 439 O LEU A 28 -1.585 -6.391 -9.300 1.00 0.00 O ATOM 440 CB LEU A 28 -2.699 -3.272 -8.910 1.00 0.00 C ATOM 441 CG LEU A 28 -3.337 -3.603 -10.266 1.00 0.00 C ATOM 442 CD1 LEU A 28 -4.773 -3.115 -10.329 1.00 0.00 C ATOM 443 CD2 LEU A 28 -2.532 -3.000 -11.402 1.00 0.00 C ATOM 0 H LEU A 28 -1.396 -3.216 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.199 -5.152 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.384 -2.638 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.794 -2.690 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.337 -4.688 -10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.199 -3.363 -11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.356 -3.596 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.797 -2.034 -10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.003 -3.248 -12.353 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.495 -1.917 -11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.519 -3.402 -11.383 1.00 0.00 H new ATOM 455 N ASN A 29 -0.031 -4.849 -8.794 1.00 0.00 N ATOM 456 CA ASN A 29 1.058 -5.569 -9.457 1.00 0.00 C ATOM 457 C ASN A 29 2.329 -5.497 -8.606 1.00 0.00 C ATOM 458 O ASN A 29 2.679 -4.419 -8.123 1.00 0.00 O ATOM 459 CB ASN A 29 1.330 -4.927 -10.820 1.00 0.00 C ATOM 460 CG ASN A 29 1.674 -5.950 -11.887 1.00 0.00 C ATOM 461 OD1 ASN A 29 0.854 -6.257 -12.752 1.00 0.00 O ATOM 462 ND2 ASN A 29 2.890 -6.484 -11.836 1.00 0.00 N ATOM 0 H ASN A 29 0.252 -3.974 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 29 0.771 -6.612 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.452 -4.362 -11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.150 -4.216 -10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.173 -7.175 -12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.540 -6.202 -11.102 1.00 0.00 H new ATOM 469 N MET A 30 3.027 -6.615 -8.410 1.00 0.00 N ATOM 470 CA MET A 30 4.248 -6.640 -7.601 1.00 0.00 C ATOM 471 C MET A 30 5.481 -7.150 -8.350 1.00 0.00 C ATOM 472 O MET A 30 5.551 -8.325 -8.712 1.00 0.00 O ATOM 473 CB MET A 30 4.013 -7.464 -6.329 1.00 0.00 C ATOM 474 CG MET A 30 3.719 -6.616 -5.105 1.00 0.00 C ATOM 475 SD MET A 30 4.044 -7.481 -3.560 1.00 0.00 S ATOM 476 CE MET A 30 2.448 -8.243 -3.278 1.00 0.00 C ATOM 0 H MET A 30 2.767 -7.520 -8.802 1.00 0.00 H new ATOM 0 HA MET A 30 4.468 -5.604 -7.343 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.180 -8.147 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.893 -8.076 -6.134 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.324 -5.710 -5.143 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.675 -6.303 -5.128 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.931 -7.718 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.853 -8.189 -4.189 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.588 -9.287 -2.998 1.00 0.00 H new ATOM 486 N GLU A 31 6.531 -6.328 -8.393 1.00 0.00 N ATOM 487 CA GLU A 31 7.817 -6.782 -8.913 1.00 0.00 C ATOM 488 C GLU A 31 8.536 -7.424 -7.729 1.00 0.00 C ATOM 489 O GLU A 31 8.187 -7.163 -6.578 1.00 0.00 O ATOM 490 CB GLU A 31 8.734 -5.646 -9.360 1.00 0.00 C ATOM 491 CG GLU A 31 8.094 -4.707 -10.367 1.00 0.00 C ATOM 492 CD GLU A 31 8.919 -4.560 -11.628 1.00 0.00 C ATOM 493 OE1 GLU A 31 9.391 -5.591 -12.150 1.00 0.00 O ATOM 494 OE2 GLU A 31 9.095 -3.414 -12.092 1.00 0.00 O ATOM 0 H GLU A 31 6.516 -5.358 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 31 7.623 -7.429 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.041 -5.073 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.638 -6.071 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.103 -5.079 -10.626 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.958 -3.727 -9.910 1.00 0.00 H new ATOM 501 N ASP A 32 9.534 -8.265 -7.992 1.00 0.00 N ATOM 502 CA ASP A 32 10.199 -8.972 -6.900 1.00 0.00 C ATOM 503 C ASP A 32 10.676 -8.081 -5.756 1.00 0.00 C ATOM 504 O ASP A 32 10.426 -8.427 -4.601 1.00 0.00 O ATOM 505 CB ASP A 32 11.355 -9.815 -7.432 1.00 0.00 C ATOM 506 CG ASP A 32 12.335 -8.990 -8.243 1.00 0.00 C ATOM 507 OD1 ASP A 32 11.880 -8.139 -9.036 1.00 0.00 O ATOM 508 OD2 ASP A 32 13.556 -9.191 -8.080 1.00 0.00 O ATOM 0 H ASP A 32 9.892 -8.470 -8.925 1.00 0.00 H new ATOM 0 HA ASP A 32 9.432 -9.615 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.878 -10.281 -6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.961 -10.621 -8.051 1.00 0.00 H new ATOM 513 N ASP A 33 11.356 -6.961 -6.002 1.00 0.00 N ATOM 514 CA ASP A 33 11.804 -6.148 -4.875 1.00 0.00 C ATOM 515 C ASP A 33 12.244 -4.727 -5.238 1.00 0.00 C ATOM 516 O ASP A 33 13.417 -4.437 -5.472 1.00 0.00 O ATOM 517 CB ASP A 33 12.870 -6.934 -4.104 1.00 0.00 C ATOM 518 CG ASP A 33 12.320 -7.549 -2.830 1.00 0.00 C ATOM 519 OD1 ASP A 33 11.691 -6.813 -2.039 1.00 0.00 O ATOM 520 OD2 ASP A 33 12.514 -8.765 -2.625 1.00 0.00 O ATOM 0 H ASP A 33 11.600 -6.609 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 33 10.943 -5.968 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.270 -7.722 -4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.700 -6.271 -3.857 1.00 0.00 H new ATOM 525 N SER A 34 11.233 -3.859 -5.221 1.00 0.00 N ATOM 526 CA SER A 34 11.412 -2.439 -5.517 1.00 0.00 C ATOM 527 C SER A 34 11.227 -1.568 -4.264 1.00 0.00 C ATOM 528 O SER A 34 11.858 -1.839 -3.244 1.00 0.00 O ATOM 529 CB SER A 34 10.431 -2.010 -6.619 1.00 0.00 C ATOM 530 OG SER A 34 10.988 -2.225 -7.905 1.00 0.00 O ATOM 0 H SER A 34 10.271 -4.119 -5.003 1.00 0.00 H new ATOM 0 HA SER A 34 12.434 -2.293 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.502 -2.571 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.181 -0.956 -6.498 1.00 0.00 H new ATOM 0 HG SER A 34 10.345 -1.946 -8.591 1.00 0.00 H new ATOM 536 N ASN A 35 10.473 -0.465 -4.349 1.00 0.00 N ATOM 537 CA ASN A 35 10.343 0.444 -3.212 1.00 0.00 C ATOM 538 C ASN A 35 8.983 1.153 -3.190 1.00 0.00 C ATOM 539 O ASN A 35 8.498 1.555 -2.133 1.00 0.00 O ATOM 540 CB ASN A 35 11.446 1.501 -3.309 1.00 0.00 C ATOM 541 CG ASN A 35 12.051 1.831 -1.959 1.00 0.00 C ATOM 542 OD1 ASN A 35 13.173 1.427 -1.653 1.00 0.00 O ATOM 543 ND2 ASN A 35 11.308 2.568 -1.144 1.00 0.00 N ATOM 0 H ASN A 35 9.953 -0.186 -5.181 1.00 0.00 H new ATOM 0 HA ASN A 35 10.428 -0.143 -2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.229 1.144 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.037 2.409 -3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.661 2.822 -0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.383 2.881 -1.440 1.00 0.00 H new ATOM 550 N TRP A 36 8.373 1.296 -4.363 1.00 0.00 N ATOM 551 CA TRP A 36 7.073 1.952 -4.485 1.00 0.00 C ATOM 552 C TRP A 36 6.149 1.121 -5.360 1.00 0.00 C ATOM 553 O TRP A 36 6.412 0.919 -6.545 1.00 0.00 O ATOM 554 CB TRP A 36 7.223 3.370 -5.054 1.00 0.00 C ATOM 555 CG TRP A 36 7.888 3.453 -6.404 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.574 2.469 -7.068 1.00 0.00 C ATOM 557 CD2 TRP A 36 7.928 4.603 -7.257 1.00 0.00 C ATOM 558 NE1 TRP A 36 9.031 2.944 -8.274 1.00 0.00 N ATOM 559 CE2 TRP A 36 8.647 4.248 -8.413 1.00 0.00 C ATOM 560 CE3 TRP A 36 7.422 5.902 -7.153 1.00 0.00 C ATOM 561 CZ2 TRP A 36 8.873 5.143 -9.455 1.00 0.00 C ATOM 562 CZ3 TRP A 36 7.644 6.789 -8.190 1.00 0.00 C ATOM 563 CH2 TRP A 36 8.365 6.405 -9.328 1.00 0.00 C ATOM 0 H TRP A 36 8.760 0.965 -5.247 1.00 0.00 H new ATOM 0 HA TRP A 36 6.636 2.035 -3.490 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.234 3.822 -5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.797 3.969 -4.347 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.732 1.467 -6.697 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.570 2.409 -8.955 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.867 6.207 -6.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.430 4.850 -10.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.255 7.794 -8.122 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.523 7.121 -10.121 1.00 0.00 H new ATOM 574 N TYR A 37 5.111 0.571 -4.744 1.00 0.00 N ATOM 575 CA TYR A 37 4.182 -0.301 -5.459 1.00 0.00 C ATOM 576 C TYR A 37 2.889 0.421 -5.831 1.00 0.00 C ATOM 577 O TYR A 37 2.533 1.421 -5.208 1.00 0.00 O ATOM 578 CB TYR A 37 3.859 -1.536 -4.612 1.00 0.00 C ATOM 579 CG TYR A 37 5.071 -2.389 -4.266 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.335 -2.092 -4.775 1.00 0.00 C ATOM 581 CD2 TYR A 37 4.951 -3.492 -3.429 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.436 -2.865 -4.456 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.049 -4.272 -3.107 1.00 0.00 C ATOM 584 CZ TYR A 37 7.289 -3.955 -3.625 1.00 0.00 C ATOM 585 OH TYR A 37 8.386 -4.727 -3.306 1.00 0.00 O ATOM 0 H TYR A 37 4.890 0.710 -3.758 1.00 0.00 H new ATOM 0 HA TYR A 37 4.671 -0.606 -6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.380 -1.214 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.136 -2.152 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.456 -1.242 -5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.983 -3.746 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.408 -2.616 -4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.936 -5.124 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 37 8.112 -5.455 -2.710 1.00 0.00 H new ATOM 595 N ARG A 38 2.252 -0.018 -6.913 1.00 0.00 N ATOM 596 CA ARG A 38 1.019 0.610 -7.374 1.00 0.00 C ATOM 597 C ARG A 38 -0.119 -0.090 -6.642 1.00 0.00 C ATOM 598 O ARG A 38 -0.443 -1.243 -6.927 1.00 0.00 O ATOM 599 CB ARG A 38 0.878 0.482 -8.895 1.00 0.00 C ATOM 600 CG ARG A 38 0.480 1.771 -9.598 1.00 0.00 C ATOM 601 CD ARG A 38 0.563 1.632 -11.115 1.00 0.00 C ATOM 602 NE ARG A 38 1.292 2.738 -11.732 1.00 0.00 N ATOM 603 CZ ARG A 38 1.773 2.706 -12.975 1.00 0.00 C ATOM 604 NH1 ARG A 38 1.610 1.626 -13.728 1.00 0.00 N ATOM 605 NH2 ARG A 38 2.435 3.747 -13.460 1.00 0.00 N ATOM 0 H ARG A 38 2.568 -0.802 -7.484 1.00 0.00 H new ATOM 0 HA ARG A 38 1.012 1.679 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.825 0.134 -9.308 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.134 -0.283 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.536 2.043 -9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.131 2.581 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.053 0.691 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.444 1.587 -11.530 1.00 0.00 H new ATOM 0 HE ARG A 38 1.441 3.583 -11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.115 0.815 -13.357 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.980 1.606 -14.678 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.577 4.575 -12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.802 3.720 -14.411 1.00 0.00 H new ATOM 619 N ALA A 39 -0.706 0.619 -5.679 1.00 0.00 N ATOM 620 CA ALA A 39 -1.798 0.083 -4.870 1.00 0.00 C ATOM 621 C ALA A 39 -3.129 0.769 -5.183 1.00 0.00 C ATOM 622 O ALA A 39 -3.170 1.755 -5.915 1.00 0.00 O ATOM 623 CB ALA A 39 -1.461 0.199 -3.389 1.00 0.00 C ATOM 0 H ALA A 39 -0.440 1.574 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.915 -0.971 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.282 -0.204 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.551 -0.363 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.308 1.247 -3.132 1.00 0.00 H new ATOM 629 N GLU A 40 -4.216 0.237 -4.627 1.00 0.00 N ATOM 630 CA GLU A 40 -5.537 0.820 -4.871 1.00 0.00 C ATOM 631 C GLU A 40 -6.431 0.763 -3.630 1.00 0.00 C ATOM 632 O GLU A 40 -6.158 0.037 -2.672 1.00 0.00 O ATOM 633 CB GLU A 40 -6.214 0.118 -6.048 1.00 0.00 C ATOM 634 CG GLU A 40 -6.435 -1.354 -5.806 1.00 0.00 C ATOM 635 CD GLU A 40 -6.468 -2.161 -7.083 1.00 0.00 C ATOM 636 OE1 GLU A 40 -5.491 -2.077 -7.855 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.465 -2.876 -7.310 1.00 0.00 O ATOM 0 H GLU A 40 -4.212 -0.580 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.390 1.872 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.173 0.596 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.603 0.246 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.642 -1.734 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.374 -1.492 -5.270 1.00 0.00 H new ATOM 644 N LEU A 41 -7.466 1.597 -3.649 1.00 0.00 N ATOM 645 CA LEU A 41 -8.406 1.691 -2.534 1.00 0.00 C ATOM 646 C LEU A 41 -9.702 2.362 -2.983 1.00 0.00 C ATOM 647 O LEU A 41 -9.687 3.294 -3.788 1.00 0.00 O ATOM 648 CB LEU A 41 -7.784 2.470 -1.373 1.00 0.00 C ATOM 649 CG LEU A 41 -7.284 3.876 -1.725 1.00 0.00 C ATOM 650 CD1 LEU A 41 -7.699 4.876 -0.655 1.00 0.00 C ATOM 651 CD2 LEU A 41 -5.769 3.882 -1.917 1.00 0.00 C ATOM 0 H LEU A 41 -7.677 2.221 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.635 0.681 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.522 2.553 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.949 1.893 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.743 4.175 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.335 5.868 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.786 4.897 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.274 4.580 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.438 4.890 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.284 3.558 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.502 3.202 -2.726 1.00 0.00 H new ATOM 663 N ASP A 42 -10.822 1.880 -2.444 1.00 0.00 N ATOM 664 CA ASP A 42 -12.148 2.407 -2.759 1.00 0.00 C ATOM 665 C ASP A 42 -12.383 2.514 -4.264 1.00 0.00 C ATOM 666 O ASP A 42 -12.934 1.600 -4.877 1.00 0.00 O ATOM 667 CB ASP A 42 -12.349 3.764 -2.084 1.00 0.00 C ATOM 668 CG ASP A 42 -13.335 3.687 -0.936 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.320 2.926 -1.049 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.121 4.383 0.078 1.00 0.00 O ATOM 0 H ASP A 42 -10.834 1.111 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.883 1.702 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.391 4.131 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.705 4.486 -2.820 1.00 0.00 H new ATOM 675 N GLY A 43 -11.975 3.631 -4.855 1.00 0.00 N ATOM 676 CA GLY A 43 -12.170 3.817 -6.277 1.00 0.00 C ATOM 677 C GLY A 43 -11.009 4.519 -6.943 1.00 0.00 C ATOM 678 O GLY A 43 -11.173 5.120 -8.004 1.00 0.00 O ATOM 0 H GLY A 43 -11.515 4.406 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.319 2.846 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.080 4.394 -6.441 1.00 0.00 H new ATOM 682 N LYS A 44 -9.854 4.528 -6.286 1.00 0.00 N ATOM 683 CA LYS A 44 -8.691 5.229 -6.813 1.00 0.00 C ATOM 684 C LYS A 44 -7.433 4.368 -6.721 1.00 0.00 C ATOM 685 O LYS A 44 -7.190 3.711 -5.708 1.00 0.00 O ATOM 686 CB LYS A 44 -8.457 6.513 -6.019 1.00 0.00 C ATOM 687 CG LYS A 44 -8.573 7.762 -6.874 1.00 0.00 C ATOM 688 CD LYS A 44 -8.832 8.998 -6.028 1.00 0.00 C ATOM 689 CE LYS A 44 -7.796 10.087 -6.274 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.252 10.634 -4.998 1.00 0.00 N ATOM 0 H LYS A 44 -9.699 4.060 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.889 5.456 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.179 6.568 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.466 6.479 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.655 7.898 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.382 7.637 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.826 9.387 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.825 8.723 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.980 9.683 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.247 10.894 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.550 11.372 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.027 11.042 -4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.799 9.869 -4.458 1.00 0.00 H new ATOM 704 N GLU A 45 -6.615 4.424 -7.764 1.00 0.00 N ATOM 705 CA GLU A 45 -5.351 3.695 -7.794 1.00 0.00 C ATOM 706 C GLU A 45 -4.241 4.647 -7.375 1.00 0.00 C ATOM 707 O GLU A 45 -4.373 5.857 -7.565 1.00 0.00 O ATOM 708 CB GLU A 45 -5.079 3.157 -9.196 1.00 0.00 C ATOM 709 CG GLU A 45 -5.293 4.198 -10.278 1.00 0.00 C ATOM 710 CD GLU A 45 -4.419 3.975 -11.492 1.00 0.00 C ATOM 711 OE1 GLU A 45 -3.247 4.409 -11.470 1.00 0.00 O ATOM 712 OE2 GLU A 45 -4.906 3.369 -12.468 1.00 0.00 O ATOM 0 H GLU A 45 -6.805 4.969 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.397 2.847 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.053 2.792 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.730 2.304 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.339 4.187 -10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.091 5.187 -9.868 1.00 0.00 H new ATOM 719 N GLY A 46 -3.164 4.140 -6.781 1.00 0.00 N ATOM 720 CA GLY A 46 -2.129 5.057 -6.344 1.00 0.00 C ATOM 721 C GLY A 46 -0.769 4.449 -6.033 1.00 0.00 C ATOM 722 O GLY A 46 -0.632 3.234 -5.905 1.00 0.00 O ATOM 0 H GLY A 46 -2.993 3.151 -6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.995 5.814 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.484 5.572 -5.452 1.00 0.00 H new ATOM 726 N LEU A 47 0.237 5.316 -5.899 1.00 0.00 N ATOM 727 CA LEU A 47 1.591 4.853 -5.576 1.00 0.00 C ATOM 728 C LEU A 47 1.842 4.936 -4.069 1.00 0.00 C ATOM 729 O LEU A 47 1.341 5.841 -3.405 1.00 0.00 O ATOM 730 CB LEU A 47 2.643 5.677 -6.309 1.00 0.00 C ATOM 731 CG LEU A 47 2.321 5.972 -7.773 1.00 0.00 C ATOM 732 CD1 LEU A 47 2.585 7.434 -8.085 1.00 0.00 C ATOM 733 CD2 LEU A 47 3.127 5.067 -8.697 1.00 0.00 C ATOM 0 H LEU A 47 0.145 6.326 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 47 1.669 3.815 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.775 6.623 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.596 5.150 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 47 1.264 5.768 -7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.352 7.631 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.959 8.060 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.634 7.662 -7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.882 5.295 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.191 5.233 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.885 4.025 -8.487 1.00 0.00 H new ATOM 745 N ILE A 48 2.602 3.983 -3.528 1.00 0.00 N ATOM 746 CA ILE A 48 2.879 3.944 -2.092 1.00 0.00 C ATOM 747 C ILE A 48 4.248 3.317 -1.791 1.00 0.00 C ATOM 748 O ILE A 48 4.943 2.862 -2.702 1.00 0.00 O ATOM 749 CB ILE A 48 1.775 3.133 -1.370 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.576 1.774 -2.047 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.467 3.907 -1.334 1.00 0.00 C ATOM 752 CD1 ILE A 48 1.929 0.607 -1.152 1.00 0.00 C ATOM 0 H ILE A 48 3.036 3.229 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 48 2.891 4.972 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 48 2.097 2.964 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.537 1.681 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.188 1.731 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.292 3.316 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.615 4.847 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.139 4.114 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.766 -0.327 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.976 0.678 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.299 0.627 -0.262 1.00 0.00 H new ATOM 764 N PRO A 49 4.600 3.181 -0.490 1.00 0.00 N ATOM 765 CA PRO A 49 5.859 2.594 -0.056 1.00 0.00 C ATOM 766 C PRO A 49 5.807 1.130 0.386 1.00 0.00 C ATOM 767 O PRO A 49 4.792 0.621 0.862 1.00 0.00 O ATOM 768 CB PRO A 49 6.196 3.478 1.141 1.00 0.00 C ATOM 769 CG PRO A 49 4.871 3.879 1.717 1.00 0.00 C ATOM 770 CD PRO A 49 3.816 3.597 0.671 1.00 0.00 C ATOM 0 HA PRO A 49 6.576 2.567 -0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.797 2.938 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.774 4.351 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.665 3.320 2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.873 4.936 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.128 2.815 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.216 4.481 0.456 1.00 0.00 H new ATOM 778 N SER A 50 6.929 0.466 0.144 1.00 0.00 N ATOM 779 CA SER A 50 7.116 -0.931 0.502 1.00 0.00 C ATOM 780 C SER A 50 7.371 -1.046 2.011 1.00 0.00 C ATOM 781 O SER A 50 6.979 -2.013 2.660 1.00 0.00 O ATOM 782 CB SER A 50 8.288 -1.528 -0.282 1.00 0.00 C ATOM 783 OG SER A 50 7.962 -1.722 -1.653 1.00 0.00 O ATOM 0 H SER A 50 7.740 0.886 -0.310 1.00 0.00 H new ATOM 0 HA SER A 50 6.214 -1.488 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.152 -0.868 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.574 -2.481 0.162 1.00 0.00 H new ATOM 0 HG SER A 50 7.794 -2.673 -1.818 1.00 0.00 H new ATOM 789 N ASN A 51 8.082 -0.047 2.537 1.00 0.00 N ATOM 790 CA ASN A 51 8.475 0.004 3.947 1.00 0.00 C ATOM 791 C ASN A 51 7.322 0.296 4.918 1.00 0.00 C ATOM 792 O ASN A 51 7.429 -0.014 6.104 1.00 0.00 O ATOM 793 CB ASN A 51 9.559 1.071 4.123 1.00 0.00 C ATOM 794 CG ASN A 51 9.110 2.442 3.659 1.00 0.00 C ATOM 795 OD1 ASN A 51 8.789 2.640 2.487 1.00 0.00 O ATOM 796 ND2 ASN A 51 9.093 3.400 4.577 1.00 0.00 N ATOM 0 H ASN A 51 8.403 0.754 1.994 1.00 0.00 H new ATOM 0 HA ASN A 51 8.839 -0.992 4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.845 1.123 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.448 0.776 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.806 4.345 4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.367 3.191 5.537 1.00 0.00 H new ATOM 803 N TYR A 52 6.214 0.863 4.433 1.00 0.00 N ATOM 804 CA TYR A 52 5.076 1.150 5.318 1.00 0.00 C ATOM 805 C TYR A 52 4.044 0.011 5.296 1.00 0.00 C ATOM 806 O TYR A 52 3.134 -0.039 6.147 1.00 0.00 O ATOM 807 CB TYR A 52 4.449 2.516 4.991 1.00 0.00 C ATOM 808 CG TYR A 52 3.010 2.517 4.524 1.00 0.00 C ATOM 809 CD1 TYR A 52 2.673 2.131 3.238 1.00 0.00 C ATOM 810 CD2 TYR A 52 1.994 2.968 5.360 1.00 0.00 C ATOM 811 CE1 TYR A 52 1.365 2.184 2.803 1.00 0.00 C ATOM 812 CE2 TYR A 52 0.693 3.033 4.927 1.00 0.00 C ATOM 813 CZ TYR A 52 0.383 2.645 3.655 1.00 0.00 C ATOM 814 OH TYR A 52 -0.911 2.727 3.229 1.00 0.00 O ATOM 0 H TYR A 52 6.079 1.128 3.457 1.00 0.00 H new ATOM 0 HA TYR A 52 5.452 1.209 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.517 3.142 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.056 2.991 4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.444 1.784 2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.233 3.273 6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.112 1.867 1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.082 3.389 5.589 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.508 2.779 4.004 1.00 0.00 H new ATOM 824 N ILE A 53 4.286 -0.983 4.426 1.00 0.00 N ATOM 825 CA ILE A 53 3.432 -2.167 4.330 1.00 0.00 C ATOM 826 C ILE A 53 4.275 -3.426 4.207 1.00 0.00 C ATOM 827 O ILE A 53 5.453 -3.378 3.862 1.00 0.00 O ATOM 828 CB ILE A 53 2.465 -2.071 3.100 1.00 0.00 C ATOM 829 CG1 ILE A 53 2.604 -3.267 2.144 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.679 -0.772 2.326 1.00 0.00 C ATOM 831 CD1 ILE A 53 3.894 -3.275 1.350 1.00 0.00 C ATOM 0 H ILE A 53 5.073 -0.985 3.777 1.00 0.00 H new ATOM 0 HA ILE A 53 2.837 -2.215 5.242 1.00 0.00 H new ATOM 0 HB ILE A 53 1.455 -2.085 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.539 -4.190 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.763 -3.264 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.994 -0.736 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.490 0.078 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.706 -0.730 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.916 -4.150 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.954 -2.371 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.742 -3.310 2.034 1.00 0.00 H new ATOM 843 N GLU A 54 3.640 -4.561 4.489 1.00 0.00 N ATOM 844 CA GLU A 54 4.267 -5.866 4.431 1.00 0.00 C ATOM 845 C GLU A 54 3.284 -6.906 3.893 1.00 0.00 C ATOM 846 O GLU A 54 2.113 -6.915 4.290 1.00 0.00 O ATOM 847 CB GLU A 54 4.713 -6.306 5.835 1.00 0.00 C ATOM 848 CG GLU A 54 3.593 -6.306 6.871 1.00 0.00 C ATOM 849 CD GLU A 54 3.430 -4.963 7.555 1.00 0.00 C ATOM 850 OE1 GLU A 54 4.118 -4.726 8.571 1.00 0.00 O ATOM 851 OE2 GLU A 54 2.619 -4.145 7.072 1.00 0.00 O ATOM 0 H GLU A 54 2.659 -4.593 4.768 1.00 0.00 H new ATOM 0 HA GLU A 54 5.131 -5.794 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.136 -7.309 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.509 -5.644 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.655 -6.579 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.798 -7.069 7.622 1.00 0.00 H new ATOM 858 N MET A 55 3.759 -7.827 3.065 1.00 0.00 N ATOM 859 CA MET A 55 2.879 -8.861 2.533 1.00 0.00 C ATOM 860 C MET A 55 2.470 -9.868 3.608 1.00 0.00 C ATOM 861 O MET A 55 3.324 -10.474 4.253 1.00 0.00 O ATOM 862 CB MET A 55 3.537 -9.582 1.354 1.00 0.00 C ATOM 863 CG MET A 55 5.021 -9.856 1.541 1.00 0.00 C ATOM 864 SD MET A 55 5.570 -11.317 0.644 1.00 0.00 S ATOM 865 CE MET A 55 5.775 -12.481 1.988 1.00 0.00 C ATOM 0 H MET A 55 4.728 -7.881 2.752 1.00 0.00 H new ATOM 0 HA MET A 55 1.975 -8.364 2.181 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.022 -10.528 1.188 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.400 -8.983 0.454 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.592 -8.991 1.204 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.233 -9.984 2.603 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.113 -13.438 1.592 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.514 -12.098 2.691 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.823 -12.616 2.500 1.00 0.00 H new ATOM 875 N LYS A 56 1.167 -10.091 3.752 1.00 0.00 N ATOM 876 CA LYS A 56 0.639 -11.068 4.700 1.00 0.00 C ATOM 877 C LYS A 56 0.652 -12.463 4.061 1.00 0.00 C ATOM 878 O LYS A 56 1.453 -12.712 3.161 1.00 0.00 O ATOM 879 CB LYS A 56 -0.779 -10.664 5.134 1.00 0.00 C ATOM 880 CG LYS A 56 -1.777 -10.597 3.991 1.00 0.00 C ATOM 881 CD LYS A 56 -3.214 -10.680 4.492 1.00 0.00 C ATOM 882 CE LYS A 56 -4.219 -10.500 3.365 1.00 0.00 C ATOM 883 NZ LYS A 56 -5.195 -9.416 3.662 1.00 0.00 N ATOM 0 H LYS A 56 0.449 -9.602 3.217 1.00 0.00 H new ATOM 0 HA LYS A 56 1.267 -11.094 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.138 -11.377 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.735 -9.691 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.637 -9.667 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.587 -11.413 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.376 -11.645 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.379 -9.915 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.690 -10.270 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.754 -11.436 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.977 -9.456 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.570 -9.540 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.721 -8.493 3.592 1.00 0.00 H new ATOM 897 N ASN A 57 -0.248 -13.356 4.486 1.00 0.00 N ATOM 898 CA ASN A 57 -0.328 -14.708 3.919 1.00 0.00 C ATOM 899 C ASN A 57 0.824 -15.593 4.429 1.00 0.00 C ATOM 900 O ASN A 57 0.799 -16.018 5.583 1.00 0.00 O ATOM 901 CB ASN A 57 -0.355 -14.652 2.383 1.00 0.00 C ATOM 902 CG ASN A 57 -1.690 -14.173 1.841 1.00 0.00 C ATOM 903 OD1 ASN A 57 -2.598 -14.971 1.605 1.00 0.00 O ATOM 904 ND2 ASN A 57 -1.812 -12.868 1.629 1.00 0.00 N ATOM 0 H ASN A 57 -0.931 -13.168 5.220 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.261 -15.162 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.435 -13.987 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.139 -15.643 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.684 -12.491 1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.034 -12.242 1.839 1.00 0.00 H new ATOM 911 N HIS A 58 1.772 -15.952 3.546 1.00 0.00 N ATOM 912 CA HIS A 58 2.875 -16.867 3.886 1.00 0.00 C ATOM 913 C HIS A 58 2.479 -18.294 3.515 1.00 0.00 C ATOM 914 O HIS A 58 3.120 -18.923 2.673 1.00 0.00 O ATOM 915 CB HIS A 58 3.248 -16.823 5.378 1.00 0.00 C ATOM 916 CG HIS A 58 4.727 -16.729 5.600 1.00 0.00 C ATOM 917 ND1 HIS A 58 5.313 -15.734 6.353 1.00 0.00 N ATOM 918 CD2 HIS A 58 5.743 -17.501 5.147 1.00 0.00 C ATOM 919 CE1 HIS A 58 6.626 -15.899 6.355 1.00 0.00 C ATOM 920 NE2 HIS A 58 6.911 -16.964 5.633 1.00 0.00 N ATOM 0 H HIS A 58 1.795 -15.618 2.582 1.00 0.00 H new ATOM 0 HA HIS A 58 3.748 -16.542 3.320 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.759 -15.968 5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.867 -17.717 5.871 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.652 -18.376 4.520 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.342 -15.269 6.862 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.847 -17.331 5.462 1.00 0.00 H new ATOM 929 N ASP A 59 1.428 -18.804 4.151 1.00 0.00 N ATOM 930 CA ASP A 59 0.963 -20.162 3.885 1.00 0.00 C ATOM 931 C ASP A 59 -0.554 -20.209 3.721 1.00 0.00 C ATOM 932 O ASP A 59 -1.019 -20.467 2.590 1.00 0.00 O ATOM 933 CB ASP A 59 1.388 -21.094 5.018 1.00 0.00 C ATOM 934 CG ASP A 59 2.891 -21.276 5.086 1.00 0.00 C ATOM 935 OD1 ASP A 59 3.442 -22.004 4.232 1.00 0.00 O ATOM 936 OD2 ASP A 59 3.520 -20.688 5.991 1.00 0.00 O ATOM 937 OXT ASP A 59 -1.262 -20.001 4.727 1.00 0.00 O ATOM 0 H ASP A 59 0.884 -18.300 4.851 1.00 0.00 H new ATOM 0 HA ASP A 59 1.417 -20.493 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.030 -20.694 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.913 -22.066 4.882 1.00 0.00 H new TER 942 ASP A 59