USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.118 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-1.5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 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 -61:sc= 1.12 USER MOD Single : A 23 GLN : amide:sc= 0.0562 K(o=0.056,f=-3.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.0009) USER MOD Single : A 30 MET CE :methyl 154:sc= -0.457 (180deg=-1.5!) USER MOD Single : A 34 SER OG : rot -47:sc= 0.483 USER MOD Single : A 35 ASN : amide:sc= 0.344 K(o=0.34,f=-0.34) USER MOD Single : A 37 TYR OH : rot -94:sc= 0.273 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 98:sc= 0.0675 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -3.02! C(o=-3!,f=-4!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.484 -9.881 -6.055 1.00 0.00 N ATOM 2 CA MET A 1 -2.563 -10.401 -5.001 1.00 0.00 C ATOM 3 C MET A 1 -2.868 -9.725 -3.667 1.00 0.00 C ATOM 4 O MET A 1 -3.674 -8.797 -3.614 1.00 0.00 O ATOM 5 CB MET A 1 -1.125 -10.142 -5.466 1.00 0.00 C ATOM 6 CG MET A 1 -0.089 -11.051 -4.820 1.00 0.00 C ATOM 7 SD MET A 1 1.488 -11.028 -5.694 1.00 0.00 S ATOM 8 CE MET A 1 1.444 -12.617 -6.519 1.00 0.00 C ATOM 0 H1 MET A 1 -4.066 -10.661 -6.423 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.102 -9.151 -5.647 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.927 -9.469 -6.830 1.00 0.00 H new ATOM 0 HA MET A 1 -2.698 -11.472 -4.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.077 -10.266 -6.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.867 -9.105 -5.252 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.067 -10.742 -3.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.471 -12.071 -4.793 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.355 -12.750 -7.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.370 -13.411 -5.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.580 -12.659 -7.182 1.00 0.00 H new ATOM 20 N GLU A 2 -2.253 -10.208 -2.590 1.00 0.00 N ATOM 21 CA GLU A 2 -2.520 -9.622 -1.283 1.00 0.00 C ATOM 22 C GLU A 2 -1.246 -9.264 -0.523 1.00 0.00 C ATOM 23 O GLU A 2 -0.251 -9.987 -0.553 1.00 0.00 O ATOM 24 CB GLU A 2 -3.428 -10.531 -0.451 1.00 0.00 C ATOM 25 CG GLU A 2 -3.804 -9.928 0.887 1.00 0.00 C ATOM 26 CD GLU A 2 -4.330 -10.950 1.877 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.229 -11.731 1.503 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.849 -10.960 3.031 1.00 0.00 O ATOM 0 H GLU A 2 -1.586 -10.980 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.044 -8.683 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.336 -10.743 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.925 -11.484 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.931 -9.434 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.561 -9.159 0.732 1.00 0.00 H new ATOM 35 N ALA A 3 -1.313 -8.128 0.168 1.00 0.00 N ATOM 36 CA ALA A 3 -0.224 -7.580 0.969 1.00 0.00 C ATOM 37 C ALA A 3 -0.805 -6.864 2.186 1.00 0.00 C ATOM 38 O ALA A 3 -1.791 -6.143 2.055 1.00 0.00 O ATOM 39 CB ALA A 3 0.622 -6.631 0.135 1.00 0.00 C ATOM 0 H ALA A 3 -2.152 -7.548 0.186 1.00 0.00 H new ATOM 0 HA ALA A 3 0.421 -8.391 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.430 -6.231 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.043 -7.169 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.001 -5.812 -0.226 1.00 0.00 H new ATOM 45 N ILE A 4 -0.188 -7.006 3.356 1.00 0.00 N ATOM 46 CA ILE A 4 -0.696 -6.331 4.551 1.00 0.00 C ATOM 47 C ILE A 4 0.176 -5.144 4.937 1.00 0.00 C ATOM 48 O ILE A 4 1.355 -5.101 4.594 1.00 0.00 O ATOM 49 CB ILE A 4 -0.806 -7.322 5.725 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.673 -6.726 6.833 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.571 -7.684 6.262 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.518 -7.752 7.552 1.00 0.00 C ATOM 0 H ILE A 4 0.649 -7.571 3.504 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.690 -5.950 4.318 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.276 -8.236 5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.031 -6.224 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.325 -5.965 6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.466 -8.385 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.161 -8.145 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.074 -6.782 6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.108 -7.260 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.186 -8.237 6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.871 -8.500 8.010 1.00 0.00 H new ATOM 64 N ALA A 5 -0.382 -4.204 5.692 1.00 0.00 N ATOM 65 CA ALA A 5 0.390 -3.035 6.091 1.00 0.00 C ATOM 66 C ALA A 5 0.089 -2.600 7.496 1.00 0.00 C ATOM 67 O ALA A 5 -0.896 -1.887 7.701 1.00 0.00 O ATOM 68 CB ALA A 5 0.047 -1.887 5.161 1.00 0.00 C ATOM 0 H ALA A 5 -1.343 -4.226 6.033 1.00 0.00 H new ATOM 0 HA ALA A 5 1.445 -3.304 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.618 -1.004 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.295 -2.163 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.019 -1.669 5.230 1.00 0.00 H new ATOM 74 N LYS A 6 0.947 -2.901 8.470 1.00 0.00 N ATOM 75 CA LYS A 6 0.631 -2.392 9.784 1.00 0.00 C ATOM 76 C LYS A 6 1.510 -1.220 10.155 1.00 0.00 C ATOM 77 O LYS A 6 2.525 -1.361 10.836 1.00 0.00 O ATOM 78 CB LYS A 6 0.817 -3.516 10.802 1.00 0.00 C ATOM 79 CG LYS A 6 2.144 -4.244 10.644 1.00 0.00 C ATOM 80 CD LYS A 6 1.999 -5.521 9.825 1.00 0.00 C ATOM 81 CE LYS A 6 1.933 -6.756 10.712 1.00 0.00 C ATOM 82 NZ LYS A 6 3.118 -7.645 10.528 1.00 0.00 N ATOM 0 H LYS A 6 1.801 -3.452 8.381 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.401 -2.042 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.753 -3.102 11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.001 -4.232 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.865 -3.584 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.544 -4.488 11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.097 -5.462 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.841 -5.611 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.870 -6.449 11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.024 -7.314 10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.031 -8.473 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.165 -7.960 9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.985 -7.122 10.766 1.00 0.00 H new ATOM 96 N HIS A 7 1.001 -0.053 9.828 1.00 0.00 N ATOM 97 CA HIS A 7 1.556 1.224 10.229 1.00 0.00 C ATOM 98 C HIS A 7 0.483 2.236 9.831 1.00 0.00 C ATOM 99 O HIS A 7 0.162 2.291 8.647 1.00 0.00 O ATOM 100 CB HIS A 7 2.921 1.485 9.601 1.00 0.00 C ATOM 101 CG HIS A 7 4.044 1.099 10.511 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.919 1.088 11.886 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.311 0.695 10.251 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.053 0.696 12.427 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.915 0.451 11.460 1.00 0.00 N ATOM 0 H HIS A 7 0.161 0.038 9.256 1.00 0.00 H new ATOM 0 HA HIS A 7 1.770 1.278 11.296 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.003 0.927 8.668 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.007 2.542 9.348 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.762 0.585 9.276 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.245 0.592 13.485 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.875 0.132 11.589 1.00 0.00 H new ATOM 114 N ASP A 8 -0.065 3.071 10.704 1.00 0.00 N ATOM 115 CA ASP A 8 -1.046 4.034 10.202 1.00 0.00 C ATOM 116 C ASP A 8 -0.339 4.923 9.176 1.00 0.00 C ATOM 117 O ASP A 8 0.876 5.085 9.243 1.00 0.00 O ATOM 118 CB ASP A 8 -1.657 4.893 11.306 1.00 0.00 C ATOM 119 CG ASP A 8 -3.029 5.417 10.934 1.00 0.00 C ATOM 120 OD1 ASP A 8 -3.115 6.242 10.000 1.00 0.00 O ATOM 121 OD2 ASP A 8 -4.016 5.005 11.577 1.00 0.00 O ATOM 0 H ASP A 8 0.133 3.108 11.704 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.874 3.485 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.731 4.306 12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.995 5.733 11.518 1.00 0.00 H new ATOM 126 N PHE A 9 -1.093 5.523 8.257 1.00 0.00 N ATOM 127 CA PHE A 9 -0.466 6.409 7.274 1.00 0.00 C ATOM 128 C PHE A 9 -1.460 7.282 6.523 1.00 0.00 C ATOM 129 O PHE A 9 -2.584 6.896 6.208 1.00 0.00 O ATOM 130 CB PHE A 9 0.327 5.615 6.229 1.00 0.00 C ATOM 131 CG PHE A 9 1.286 6.456 5.432 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.487 6.877 5.984 1.00 0.00 C ATOM 133 CD2 PHE A 9 0.997 6.815 4.123 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.379 7.637 5.250 1.00 0.00 C ATOM 135 CE2 PHE A 9 1.888 7.573 3.383 1.00 0.00 C ATOM 136 CZ PHE A 9 3.080 7.984 3.948 1.00 0.00 C ATOM 0 H PHE A 9 -2.104 5.419 8.171 1.00 0.00 H new ATOM 0 HA PHE A 9 0.192 7.049 7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.883 4.823 6.732 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.371 5.130 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.729 6.607 7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.066 6.499 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.309 7.959 5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.652 7.843 2.364 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.776 8.576 3.372 1.00 0.00 H new ATOM 146 N SER A 10 -0.903 8.421 6.131 1.00 0.00 N ATOM 147 CA SER A 10 -1.639 9.368 5.316 1.00 0.00 C ATOM 148 C SER A 10 -0.736 9.970 4.251 1.00 0.00 C ATOM 149 O SER A 10 -0.007 10.925 4.507 1.00 0.00 O ATOM 150 CB SER A 10 -2.276 10.476 6.167 1.00 0.00 C ATOM 151 OG SER A 10 -3.634 10.698 5.808 1.00 0.00 O ATOM 0 H SER A 10 0.048 8.706 6.364 1.00 0.00 H new ATOM 0 HA SER A 10 -2.446 8.822 4.827 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.218 10.205 7.221 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.711 11.400 6.044 1.00 0.00 H new ATOM 0 HG SER A 10 -4.009 11.408 6.370 1.00 0.00 H new ATOM 157 N ALA A 11 -0.860 9.422 3.047 1.00 0.00 N ATOM 158 CA ALA A 11 -0.097 9.831 1.868 1.00 0.00 C ATOM 159 C ALA A 11 0.590 11.186 1.968 1.00 0.00 C ATOM 160 O ALA A 11 0.087 12.149 2.544 1.00 0.00 O ATOM 161 CB ALA A 11 -1.054 9.874 0.697 1.00 0.00 C ATOM 0 H ALA A 11 -1.511 8.660 2.857 1.00 0.00 H new ATOM 0 HA ALA A 11 0.705 9.102 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.516 10.176 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.488 8.886 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.849 10.591 0.903 1.00 0.00 H new ATOM 167 N THR A 12 1.778 11.196 1.348 1.00 0.00 N ATOM 168 CA THR A 12 2.649 12.357 1.281 1.00 0.00 C ATOM 169 C THR A 12 2.574 12.979 -0.125 1.00 0.00 C ATOM 170 O THR A 12 2.965 14.127 -0.337 1.00 0.00 O ATOM 171 CB THR A 12 4.099 11.943 1.679 1.00 0.00 C ATOM 172 OG1 THR A 12 4.302 12.120 3.074 1.00 0.00 O ATOM 173 CG2 THR A 12 5.216 12.701 0.978 1.00 0.00 C ATOM 0 H THR A 12 2.159 10.378 0.873 1.00 0.00 H new ATOM 0 HA THR A 12 2.324 13.120 1.988 1.00 0.00 H new ATOM 0 HB THR A 12 4.161 10.900 1.367 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.216 11.854 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.181 12.334 1.329 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.139 12.549 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.130 13.764 1.201 1.00 0.00 H new ATOM 181 N ALA A 13 2.021 12.214 -1.066 1.00 0.00 N ATOM 182 CA ALA A 13 1.829 12.687 -2.436 1.00 0.00 C ATOM 183 C ALA A 13 0.353 12.523 -2.798 1.00 0.00 C ATOM 184 O ALA A 13 -0.354 11.747 -2.159 1.00 0.00 O ATOM 185 CB ALA A 13 2.728 11.940 -3.414 1.00 0.00 C ATOM 0 H ALA A 13 1.697 11.261 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 13 2.108 13.739 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.560 12.316 -4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.771 12.093 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.497 10.875 -3.381 1.00 0.00 H new ATOM 191 N ASP A 14 -0.139 13.276 -3.779 1.00 0.00 N ATOM 192 CA ASP A 14 -1.543 13.232 -4.190 1.00 0.00 C ATOM 193 C ASP A 14 -1.987 11.851 -4.656 1.00 0.00 C ATOM 194 O ASP A 14 -3.050 11.363 -4.274 1.00 0.00 O ATOM 195 CB ASP A 14 -1.765 14.202 -5.351 1.00 0.00 C ATOM 196 CG ASP A 14 -2.439 15.487 -4.914 1.00 0.00 C ATOM 197 OD1 ASP A 14 -2.169 15.944 -3.784 1.00 0.00 O ATOM 198 OD2 ASP A 14 -3.239 16.036 -5.701 1.00 0.00 O ATOM 0 H ASP A 14 0.425 13.936 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.128 13.503 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.806 14.437 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.374 13.717 -6.114 1.00 0.00 H new ATOM 203 N ASP A 15 -1.131 11.211 -5.440 1.00 0.00 N ATOM 204 CA ASP A 15 -1.402 9.875 -5.949 1.00 0.00 C ATOM 205 C ASP A 15 -0.966 8.819 -4.942 1.00 0.00 C ATOM 206 O ASP A 15 -0.760 7.662 -5.307 1.00 0.00 O ATOM 207 CB ASP A 15 -0.659 9.667 -7.269 1.00 0.00 C ATOM 208 CG ASP A 15 -1.316 8.622 -8.150 1.00 0.00 C ATOM 209 OD1 ASP A 15 -1.046 7.420 -7.946 1.00 0.00 O ATOM 210 OD2 ASP A 15 -2.093 9.006 -9.050 1.00 0.00 O ATOM 0 H ASP A 15 -0.237 11.600 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.475 9.776 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.612 10.613 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.368 9.367 -7.060 1.00 0.00 H new ATOM 215 N GLU A 16 -0.852 9.201 -3.670 1.00 0.00 N ATOM 216 CA GLU A 16 -0.463 8.263 -2.627 1.00 0.00 C ATOM 217 C GLU A 16 -1.688 7.819 -1.840 1.00 0.00 C ATOM 218 O GLU A 16 -2.398 8.633 -1.255 1.00 0.00 O ATOM 219 CB GLU A 16 0.574 8.900 -1.703 1.00 0.00 C ATOM 220 CG GLU A 16 1.984 8.797 -2.245 1.00 0.00 C ATOM 221 CD GLU A 16 2.975 8.209 -1.262 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.692 7.129 -0.705 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.041 8.827 -1.059 1.00 0.00 O ATOM 0 H GLU A 16 -1.024 10.151 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.014 7.384 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.323 9.950 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.529 8.418 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.973 8.184 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.324 9.790 -2.539 1.00 0.00 H new ATOM 230 N LEU A 17 -1.953 6.528 -1.883 1.00 0.00 N ATOM 231 CA LEU A 17 -3.114 5.958 -1.214 1.00 0.00 C ATOM 232 C LEU A 17 -2.882 5.811 0.293 1.00 0.00 C ATOM 233 O LEU A 17 -1.974 5.103 0.725 1.00 0.00 O ATOM 234 CB LEU A 17 -3.375 4.560 -1.773 1.00 0.00 C ATOM 235 CG LEU A 17 -4.736 3.960 -1.418 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.780 4.366 -2.451 1.00 0.00 C ATOM 237 CD2 LEU A 17 -4.637 2.444 -1.309 1.00 0.00 C ATOM 0 H LEU A 17 -1.377 5.847 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.956 6.628 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.285 4.598 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.595 3.890 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.048 4.349 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.743 3.931 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.866 5.452 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.478 4.005 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.614 2.033 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.306 2.032 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.920 2.181 -0.531 1.00 0.00 H new ATOM 249 N SER A 18 -3.756 6.425 1.084 1.00 0.00 N ATOM 250 CA SER A 18 -3.672 6.334 2.541 1.00 0.00 C ATOM 251 C SER A 18 -4.394 5.101 3.053 1.00 0.00 C ATOM 252 O SER A 18 -5.100 4.420 2.309 1.00 0.00 O ATOM 253 CB SER A 18 -4.271 7.575 3.204 1.00 0.00 C ATOM 254 OG SER A 18 -5.687 7.547 3.155 1.00 0.00 O ATOM 0 H SER A 18 -4.532 6.992 0.742 1.00 0.00 H new ATOM 0 HA SER A 18 -2.615 6.264 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.941 7.632 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.904 8.471 2.703 1.00 0.00 H new ATOM 0 HG SER A 18 -6.045 8.350 3.587 1.00 0.00 H new ATOM 260 N PHE A 19 -4.161 4.790 4.329 1.00 0.00 N ATOM 261 CA PHE A 19 -4.760 3.629 4.961 1.00 0.00 C ATOM 262 C PHE A 19 -4.555 3.647 6.477 1.00 0.00 C ATOM 263 O PHE A 19 -3.971 4.588 7.029 1.00 0.00 O ATOM 264 CB PHE A 19 -4.208 2.337 4.350 1.00 0.00 C ATOM 265 CG PHE A 19 -2.732 2.138 4.577 1.00 0.00 C ATOM 266 CD1 PHE A 19 -2.257 1.768 5.824 1.00 0.00 C ATOM 267 CD2 PHE A 19 -1.824 2.310 3.544 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.906 1.574 6.037 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.471 2.116 3.750 1.00 0.00 C ATOM 270 CZ PHE A 19 -0.012 1.748 5.000 1.00 0.00 C ATOM 0 H PHE A 19 -3.556 5.335 4.943 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.833 3.666 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.748 1.488 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.404 2.341 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.951 1.629 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.178 2.599 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.549 1.286 7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.226 2.252 2.936 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.044 1.597 5.165 1.00 0.00 H new ATOM 280 N ARG A 20 -5.094 2.638 7.155 1.00 0.00 N ATOM 281 CA ARG A 20 -5.001 2.549 8.607 1.00 0.00 C ATOM 282 C ARG A 20 -4.103 1.376 8.988 1.00 0.00 C ATOM 283 O ARG A 20 -3.844 0.512 8.149 1.00 0.00 O ATOM 284 CB ARG A 20 -6.392 2.390 9.233 1.00 0.00 C ATOM 285 CG ARG A 20 -7.429 3.366 8.683 1.00 0.00 C ATOM 286 CD ARG A 20 -7.996 4.268 9.773 1.00 0.00 C ATOM 287 NE ARG A 20 -9.450 4.140 9.896 1.00 0.00 N ATOM 288 CZ ARG A 20 -10.329 4.954 9.309 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.916 5.958 8.544 1.00 0.00 N ATOM 290 NH2 ARG A 20 -11.629 4.763 9.489 1.00 0.00 N ATOM 0 H ARG A 20 -5.602 1.868 6.719 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.566 3.472 8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.741 1.371 9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.313 2.527 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.974 3.979 7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.240 2.808 8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.529 4.020 10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.742 5.305 9.553 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.814 3.378 10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.918 6.113 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.597 6.574 8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.955 3.995 10.075 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.303 5.384 9.041 1.00 0.00 H new ATOM 304 N LYS A 21 -3.654 1.284 10.235 1.00 0.00 N ATOM 305 CA LYS A 21 -2.831 0.149 10.628 1.00 0.00 C ATOM 306 C LYS A 21 -3.618 -1.152 10.446 1.00 0.00 C ATOM 307 O LYS A 21 -4.786 -1.248 10.822 1.00 0.00 O ATOM 308 CB LYS A 21 -2.390 0.274 12.086 1.00 0.00 C ATOM 309 CG LYS A 21 -3.542 0.289 13.078 1.00 0.00 C ATOM 310 CD LYS A 21 -3.373 -0.781 14.144 1.00 0.00 C ATOM 311 CE LYS A 21 -4.003 -0.366 15.461 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.566 -1.533 16.194 1.00 0.00 N ATOM 0 H LYS A 21 -3.840 1.963 10.973 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.944 0.136 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.726 -0.556 12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.810 1.190 12.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.603 1.269 13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.482 0.131 12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.826 -1.711 13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.312 -0.980 14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.256 0.128 16.082 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.793 0.361 15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.988 -1.211 17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.297 -1.989 15.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.807 -2.215 16.395 1.00 0.00 H new ATOM 326 N THR A 22 -2.953 -2.144 9.864 1.00 0.00 N ATOM 327 CA THR A 22 -3.512 -3.477 9.640 1.00 0.00 C ATOM 328 C THR A 22 -4.489 -3.568 8.478 1.00 0.00 C ATOM 329 O THR A 22 -5.190 -4.573 8.351 1.00 0.00 O ATOM 330 CB THR A 22 -4.173 -4.019 10.915 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.517 -3.577 11.027 1.00 0.00 O ATOM 332 CG2 THR A 22 -3.449 -3.636 12.191 1.00 0.00 C ATOM 0 H THR A 22 -1.995 -2.045 9.528 1.00 0.00 H new ATOM 0 HA THR A 22 -2.656 -4.095 9.368 1.00 0.00 H new ATOM 0 HB THR A 22 -4.127 -5.103 10.809 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.537 -2.598 11.072 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.976 -4.055 13.048 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.432 -4.027 12.163 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.418 -2.550 12.280 1.00 0.00 H new ATOM 340 N GLN A 23 -4.549 -2.554 7.620 1.00 0.00 N ATOM 341 CA GLN A 23 -5.460 -2.628 6.488 1.00 0.00 C ATOM 342 C GLN A 23 -4.919 -3.584 5.427 1.00 0.00 C ATOM 343 O GLN A 23 -3.714 -3.827 5.366 1.00 0.00 O ATOM 344 CB GLN A 23 -5.696 -1.268 5.818 1.00 0.00 C ATOM 345 CG GLN A 23 -7.128 -0.767 5.949 1.00 0.00 C ATOM 346 CD GLN A 23 -7.935 -0.966 4.679 1.00 0.00 C ATOM 347 OE1 GLN A 23 -7.969 -2.061 4.116 1.00 0.00 O ATOM 348 NE2 GLN A 23 -8.590 0.094 4.222 1.00 0.00 N ATOM 0 H GLN A 23 -3.997 -1.699 7.683 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.407 -2.985 6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.021 -0.533 6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.441 -1.343 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.618 -1.289 6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.116 0.292 6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.534 0.982 4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.150 0.020 3.372 1.00 0.00 H new ATOM 357 N ILE A 24 -5.799 -4.122 4.597 1.00 0.00 N ATOM 358 CA ILE A 24 -5.375 -5.041 3.552 1.00 0.00 C ATOM 359 C ILE A 24 -5.265 -4.321 2.208 1.00 0.00 C ATOM 360 O ILE A 24 -6.228 -3.709 1.749 1.00 0.00 O ATOM 361 CB ILE A 24 -6.343 -6.236 3.439 1.00 0.00 C ATOM 362 CG1 ILE A 24 -5.752 -7.303 2.527 1.00 0.00 C ATOM 363 CG2 ILE A 24 -7.709 -5.787 2.944 1.00 0.00 C ATOM 364 CD1 ILE A 24 -4.470 -7.889 3.070 1.00 0.00 C ATOM 0 H ILE A 24 -6.802 -3.941 4.625 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.391 -5.422 3.824 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.480 -6.667 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.481 -8.101 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.562 -6.871 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.372 -6.649 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.129 -5.063 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.607 -5.327 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.094 -8.644 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.728 -7.099 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.662 -8.348 4.040 1.00 0.00 H new ATOM 376 N LEU A 25 -4.079 -4.369 1.592 1.00 0.00 N ATOM 377 CA LEU A 25 -3.871 -3.679 0.319 1.00 0.00 C ATOM 378 C LEU A 25 -3.628 -4.619 -0.858 1.00 0.00 C ATOM 379 O LEU A 25 -2.956 -5.644 -0.727 1.00 0.00 O ATOM 380 CB LEU A 25 -2.714 -2.682 0.414 1.00 0.00 C ATOM 381 CG LEU A 25 -2.785 -1.711 1.591 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.460 -0.981 1.760 1.00 0.00 C ATOM 383 CD2 LEU A 25 -3.925 -0.720 1.394 1.00 0.00 C ATOM 0 H LEU A 25 -3.264 -4.869 1.947 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.805 -3.152 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.780 -3.240 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.676 -2.105 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.979 -2.281 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.528 -0.293 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.667 -1.705 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.235 -0.421 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.962 -0.035 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.761 -0.154 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.869 -1.261 1.323 1.00 0.00 H new ATOM 395 N LYS A 26 -4.179 -4.253 -2.006 1.00 0.00 N ATOM 396 CA LYS A 26 -4.042 -5.028 -3.232 1.00 0.00 C ATOM 397 C LYS A 26 -2.750 -4.655 -3.960 1.00 0.00 C ATOM 398 O LYS A 26 -2.691 -3.651 -4.667 1.00 0.00 O ATOM 399 CB LYS A 26 -5.210 -4.668 -4.141 1.00 0.00 C ATOM 400 CG LYS A 26 -6.551 -5.205 -3.666 1.00 0.00 C ATOM 401 CD LYS A 26 -6.747 -6.660 -4.057 1.00 0.00 C ATOM 402 CE LYS A 26 -7.509 -7.425 -2.987 1.00 0.00 C ATOM 403 NZ LYS A 26 -7.387 -8.901 -3.154 1.00 0.00 N ATOM 0 H LYS A 26 -4.737 -3.406 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.025 -6.090 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.273 -3.583 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.010 -5.052 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.618 -5.108 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.355 -4.603 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.289 -6.715 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.776 -7.128 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.135 -7.140 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.561 -7.143 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.922 -9.381 -2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.768 -9.178 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.386 -9.175 -3.095 1.00 0.00 H new ATOM 417 N ILE A 27 -1.725 -5.477 -3.788 1.00 0.00 N ATOM 418 CA ILE A 27 -0.442 -5.209 -4.431 1.00 0.00 C ATOM 419 C ILE A 27 -0.504 -5.590 -5.903 1.00 0.00 C ATOM 420 O ILE A 27 -1.009 -6.658 -6.252 1.00 0.00 O ATOM 421 CB ILE A 27 0.707 -5.965 -3.702 1.00 0.00 C ATOM 422 CG1 ILE A 27 1.180 -5.148 -2.499 1.00 0.00 C ATOM 423 CG2 ILE A 27 1.886 -6.275 -4.625 1.00 0.00 C ATOM 424 CD1 ILE A 27 1.884 -3.865 -2.885 1.00 0.00 C ATOM 0 H ILE A 27 -1.752 -6.323 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.231 -4.142 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 27 0.306 -6.922 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.322 -4.908 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.854 -5.757 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.658 -6.803 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.547 -6.900 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.295 -5.344 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.193 -3.334 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.762 -4.099 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.205 -3.237 -3.461 1.00 0.00 H new ATOM 436 N LEU A 28 -0.081 -4.673 -6.779 1.00 0.00 N ATOM 437 CA LEU A 28 -0.173 -4.935 -8.208 1.00 0.00 C ATOM 438 C LEU A 28 0.936 -4.283 -9.029 1.00 0.00 C ATOM 439 O LEU A 28 1.217 -4.747 -10.133 1.00 0.00 O ATOM 440 CB LEU A 28 -1.535 -4.493 -8.736 1.00 0.00 C ATOM 441 CG LEU A 28 -1.850 -3.012 -8.543 1.00 0.00 C ATOM 442 CD1 LEU A 28 -2.507 -2.439 -9.786 1.00 0.00 C ATOM 443 CD2 LEU A 28 -2.740 -2.814 -7.327 1.00 0.00 C ATOM 0 H LEU A 28 0.317 -3.768 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.050 -6.012 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.589 -4.725 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.308 -5.081 -8.242 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.914 -2.479 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.724 -1.382 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.834 -2.549 -10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.435 -2.974 -9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.956 -1.753 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.673 -3.360 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.230 -3.187 -6.439 1.00 0.00 H new ATOM 455 N ASN A 29 1.618 -3.259 -8.511 1.00 0.00 N ATOM 456 CA ASN A 29 2.720 -2.705 -9.293 1.00 0.00 C ATOM 457 C ASN A 29 3.834 -2.174 -8.419 1.00 0.00 C ATOM 458 O ASN A 29 3.775 -1.097 -7.823 1.00 0.00 O ATOM 459 CB ASN A 29 2.179 -1.614 -10.222 1.00 0.00 C ATOM 460 CG ASN A 29 3.225 -1.055 -11.162 1.00 0.00 C ATOM 461 OD1 ASN A 29 3.337 -1.482 -12.310 1.00 0.00 O ATOM 462 ND2 ASN A 29 3.990 -0.084 -10.680 1.00 0.00 N ATOM 0 H ASN A 29 1.441 -2.819 -7.608 1.00 0.00 H new ATOM 0 HA ASN A 29 3.156 -3.508 -9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.355 -2.021 -10.808 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.771 -0.802 -9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.707 0.340 -11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.861 0.238 -9.721 1.00 0.00 H new ATOM 469 N MET A 30 4.892 -2.965 -8.473 1.00 0.00 N ATOM 470 CA MET A 30 6.150 -2.738 -7.825 1.00 0.00 C ATOM 471 C MET A 30 7.292 -2.853 -8.815 1.00 0.00 C ATOM 472 O MET A 30 7.447 -3.903 -9.431 1.00 0.00 O ATOM 473 CB MET A 30 6.329 -3.752 -6.689 1.00 0.00 C ATOM 474 CG MET A 30 7.549 -3.497 -5.822 1.00 0.00 C ATOM 475 SD MET A 30 8.405 -5.015 -5.358 1.00 0.00 S ATOM 476 CE MET A 30 8.774 -5.704 -6.969 1.00 0.00 C ATOM 0 H MET A 30 4.883 -3.834 -9.007 1.00 0.00 H new ATOM 0 HA MET A 30 6.159 -1.728 -7.414 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.439 -3.738 -6.060 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.402 -4.752 -7.116 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.239 -2.845 -6.357 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.244 -2.967 -4.920 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.651 -6.347 -6.898 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.923 -6.289 -7.318 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.972 -4.896 -7.673 1.00 0.00 H new ATOM 486 N GLU A 31 8.177 -1.873 -8.847 1.00 0.00 N ATOM 487 CA GLU A 31 9.409 -1.984 -9.645 1.00 0.00 C ATOM 488 C GLU A 31 10.147 -0.686 -9.953 1.00 0.00 C ATOM 489 O GLU A 31 11.363 -0.579 -9.790 1.00 0.00 O ATOM 490 CB GLU A 31 9.328 -2.912 -10.877 1.00 0.00 C ATOM 491 CG GLU A 31 8.463 -2.369 -12.007 1.00 0.00 C ATOM 492 CD GLU A 31 9.238 -2.170 -13.298 1.00 0.00 C ATOM 493 OE1 GLU A 31 10.274 -1.474 -13.264 1.00 0.00 O ATOM 494 OE2 GLU A 31 8.815 -2.717 -14.337 1.00 0.00 O ATOM 0 H GLU A 31 8.078 -0.994 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 31 10.047 -2.497 -8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.335 -3.085 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.934 -3.879 -10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.636 -3.056 -12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.027 -1.418 -11.700 1.00 0.00 H new ATOM 501 N ASP A 32 9.363 0.306 -10.361 1.00 0.00 N ATOM 502 CA ASP A 32 9.903 1.622 -10.682 1.00 0.00 C ATOM 503 C ASP A 32 10.228 2.395 -9.422 1.00 0.00 C ATOM 504 O ASP A 32 10.839 3.462 -9.469 1.00 0.00 O ATOM 505 CB ASP A 32 8.923 2.449 -11.515 1.00 0.00 C ATOM 506 CG ASP A 32 9.002 2.125 -12.993 1.00 0.00 C ATOM 507 OD1 ASP A 32 8.923 0.927 -13.344 1.00 0.00 O ATOM 508 OD2 ASP A 32 9.141 3.066 -13.800 1.00 0.00 O ATOM 0 H ASP A 32 8.353 0.224 -10.477 1.00 0.00 H new ATOM 0 HA ASP A 32 10.811 1.452 -11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.908 2.269 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.129 3.509 -11.367 1.00 0.00 H new ATOM 513 N ASP A 33 9.738 1.893 -8.301 1.00 0.00 N ATOM 514 CA ASP A 33 9.940 2.560 -7.038 1.00 0.00 C ATOM 515 C ASP A 33 10.119 1.546 -5.925 1.00 0.00 C ATOM 516 O ASP A 33 9.149 1.175 -5.266 1.00 0.00 O ATOM 517 CB ASP A 33 8.754 3.480 -6.727 1.00 0.00 C ATOM 518 CG ASP A 33 9.091 4.944 -6.943 1.00 0.00 C ATOM 519 OD1 ASP A 33 9.931 5.479 -6.189 1.00 0.00 O ATOM 520 OD2 ASP A 33 8.516 5.555 -7.869 1.00 0.00 O ATOM 0 H ASP A 33 9.200 1.028 -8.246 1.00 0.00 H new ATOM 0 HA ASP A 33 10.845 3.164 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.909 3.207 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.441 3.330 -5.694 1.00 0.00 H new ATOM 525 N SER A 34 11.347 1.071 -5.730 1.00 0.00 N ATOM 526 CA SER A 34 11.628 0.064 -4.708 1.00 0.00 C ATOM 527 C SER A 34 11.301 0.582 -3.315 1.00 0.00 C ATOM 528 O SER A 34 11.928 0.155 -2.345 1.00 0.00 O ATOM 529 CB SER A 34 13.100 -0.347 -4.774 1.00 0.00 C ATOM 530 OG SER A 34 13.345 -1.510 -3.999 1.00 0.00 O ATOM 0 H SER A 34 12.163 1.367 -6.266 1.00 0.00 H new ATOM 0 HA SER A 34 10.996 -0.802 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.382 -0.532 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.725 0.471 -4.414 1.00 0.00 H new ATOM 0 HG SER A 34 12.924 -1.412 -3.120 1.00 0.00 H new ATOM 536 N ASN A 35 10.421 1.563 -3.202 1.00 0.00 N ATOM 537 CA ASN A 35 10.141 2.159 -1.891 1.00 0.00 C ATOM 538 C ASN A 35 8.675 2.560 -1.742 1.00 0.00 C ATOM 539 O ASN A 35 8.121 2.569 -0.641 1.00 0.00 O ATOM 540 CB ASN A 35 11.032 3.392 -1.698 1.00 0.00 C ATOM 541 CG ASN A 35 12.180 3.149 -0.735 1.00 0.00 C ATOM 542 OD1 ASN A 35 12.335 3.861 0.258 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.999 2.145 -1.027 1.00 0.00 N ATOM 0 H ASN A 35 9.894 1.962 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 35 10.355 1.409 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.434 3.698 -2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.424 4.218 -1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.792 1.940 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.835 1.579 -1.860 1.00 0.00 H new ATOM 550 N TRP A 36 8.054 2.887 -2.859 1.00 0.00 N ATOM 551 CA TRP A 36 6.658 3.261 -2.873 1.00 0.00 C ATOM 552 C TRP A 36 5.931 2.350 -3.861 1.00 0.00 C ATOM 553 O TRP A 36 6.283 2.294 -5.038 1.00 0.00 O ATOM 554 CB TRP A 36 6.505 4.743 -3.239 1.00 0.00 C ATOM 555 CG TRP A 36 7.256 5.655 -2.308 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.489 6.207 -2.520 1.00 0.00 C ATOM 557 CD2 TRP A 36 6.834 6.115 -1.014 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.858 6.977 -1.439 1.00 0.00 N ATOM 559 CE2 TRP A 36 7.860 6.935 -0.502 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.690 5.913 -0.235 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.774 7.548 0.749 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.609 6.525 1.006 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.645 7.331 1.484 1.00 0.00 C ATOM 0 H TRP A 36 8.502 2.900 -3.775 1.00 0.00 H new ATOM 0 HA TRP A 36 6.217 3.136 -1.884 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.860 4.899 -4.258 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.448 5.008 -3.226 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.087 6.060 -3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.733 7.494 -1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.884 5.291 -0.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.573 8.172 1.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.729 6.376 1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.550 7.792 2.456 1.00 0.00 H new ATOM 574 N TYR A 37 4.997 1.559 -3.341 1.00 0.00 N ATOM 575 CA TYR A 37 4.290 0.553 -4.135 1.00 0.00 C ATOM 576 C TYR A 37 2.942 1.039 -4.630 1.00 0.00 C ATOM 577 O TYR A 37 2.373 1.988 -4.092 1.00 0.00 O ATOM 578 CB TYR A 37 4.086 -0.722 -3.312 1.00 0.00 C ATOM 579 CG TYR A 37 5.348 -1.516 -3.031 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.616 -0.991 -3.271 1.00 0.00 C ATOM 581 CD2 TYR A 37 5.260 -2.801 -2.517 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.753 -1.731 -3.002 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.388 -3.544 -2.248 1.00 0.00 C ATOM 584 CZ TYR A 37 7.633 -3.006 -2.492 1.00 0.00 C ATOM 585 OH TYR A 37 8.760 -3.747 -2.223 1.00 0.00 O ATOM 0 H TYR A 37 4.708 1.595 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 37 4.913 0.350 -5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.626 -0.452 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.380 -1.365 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.712 0.007 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.287 -3.228 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.730 -1.312 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.297 -4.543 -1.848 1.00 0.00 H new ATOM 0 HH TYR A 37 8.971 -4.313 -2.994 1.00 0.00 H new ATOM 595 N ARG A 38 2.494 0.444 -5.731 1.00 0.00 N ATOM 596 CA ARG A 38 1.224 0.795 -6.331 1.00 0.00 C ATOM 597 C ARG A 38 0.249 -0.312 -5.955 1.00 0.00 C ATOM 598 O ARG A 38 0.267 -1.410 -6.522 1.00 0.00 O ATOM 599 CB ARG A 38 1.335 0.937 -7.845 1.00 0.00 C ATOM 600 CG ARG A 38 2.481 1.823 -8.291 1.00 0.00 C ATOM 601 CD ARG A 38 2.234 2.384 -9.681 1.00 0.00 C ATOM 602 NE ARG A 38 1.810 3.781 -9.637 1.00 0.00 N ATOM 603 CZ ARG A 38 0.668 4.238 -10.153 1.00 0.00 C ATOM 604 NH1 ARG A 38 -0.213 3.406 -10.700 1.00 0.00 N ATOM 605 NH2 ARG A 38 0.396 5.535 -10.104 1.00 0.00 N ATOM 0 H ARG A 38 3.002 -0.290 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 38 0.882 1.763 -5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.459 -0.052 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.401 1.344 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.608 2.642 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.409 1.251 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.145 2.300 -10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.471 1.789 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 38 2.428 4.452 -9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.019 2.405 -10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.082 3.769 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.059 6.179 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.476 5.888 -10.497 1.00 0.00 H new ATOM 619 N ALA A 39 -0.598 -0.008 -4.986 1.00 0.00 N ATOM 620 CA ALA A 39 -1.591 -0.956 -4.505 1.00 0.00 C ATOM 621 C ALA A 39 -2.987 -0.503 -4.905 1.00 0.00 C ATOM 622 O ALA A 39 -3.174 0.601 -5.417 1.00 0.00 O ATOM 623 CB ALA A 39 -1.474 -1.118 -2.998 1.00 0.00 C ATOM 0 H ALA A 39 -0.618 0.896 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.409 -1.928 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.222 -1.830 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.479 -1.486 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.637 -0.155 -2.515 1.00 0.00 H new ATOM 629 N GLU A 40 -3.961 -1.377 -4.686 1.00 0.00 N ATOM 630 CA GLU A 40 -5.336 -1.061 -5.051 1.00 0.00 C ATOM 631 C GLU A 40 -6.267 -1.086 -3.854 1.00 0.00 C ATOM 632 O GLU A 40 -6.061 -1.835 -2.900 1.00 0.00 O ATOM 633 CB GLU A 40 -5.854 -2.032 -6.118 1.00 0.00 C ATOM 634 CG GLU A 40 -7.231 -1.679 -6.653 1.00 0.00 C ATOM 635 CD GLU A 40 -7.212 -1.368 -8.135 1.00 0.00 C ATOM 636 OE1 GLU A 40 -6.935 -2.291 -8.929 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.471 -0.203 -8.502 1.00 0.00 O ATOM 0 H GLU A 40 -3.829 -2.296 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.326 -0.048 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.147 -2.056 -6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.885 -3.037 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.914 -2.508 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.620 -0.818 -6.109 1.00 0.00 H new ATOM 644 N LEU A 41 -7.264 -0.213 -3.894 1.00 0.00 N ATOM 645 CA LEU A 41 -8.227 -0.093 -2.812 1.00 0.00 C ATOM 646 C LEU A 41 -9.503 0.545 -3.343 1.00 0.00 C ATOM 647 O LEU A 41 -9.462 1.595 -3.984 1.00 0.00 O ATOM 648 CB LEU A 41 -7.633 0.742 -1.673 1.00 0.00 C ATOM 649 CG LEU A 41 -8.591 1.090 -0.534 1.00 0.00 C ATOM 650 CD1 LEU A 41 -8.769 -0.096 0.406 1.00 0.00 C ATOM 651 CD2 LEU A 41 -8.078 2.306 0.226 1.00 0.00 C ATOM 0 H LEU A 41 -7.426 0.427 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.465 -1.082 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.784 0.201 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.245 1.670 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.565 1.329 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.455 0.176 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.176 -0.942 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.804 -0.371 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.767 2.546 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.094 2.088 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.006 3.156 -0.453 1.00 0.00 H new ATOM 663 N ASP A 42 -10.631 -0.114 -3.094 1.00 0.00 N ATOM 664 CA ASP A 42 -11.918 0.371 -3.575 1.00 0.00 C ATOM 665 C ASP A 42 -11.926 0.419 -5.105 1.00 0.00 C ATOM 666 O ASP A 42 -12.411 -0.503 -5.762 1.00 0.00 O ATOM 667 CB ASP A 42 -12.229 1.755 -2.994 1.00 0.00 C ATOM 668 CG ASP A 42 -13.543 1.777 -2.239 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.592 1.510 -2.863 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.524 2.062 -1.023 1.00 0.00 O ATOM 0 H ASP A 42 -10.679 -0.983 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.693 -0.319 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.423 2.056 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.263 2.487 -3.801 1.00 0.00 H new ATOM 675 N GLY A 43 -11.364 1.486 -5.669 1.00 0.00 N ATOM 676 CA GLY A 43 -11.303 1.623 -7.112 1.00 0.00 C ATOM 677 C GLY A 43 -10.221 2.595 -7.551 1.00 0.00 C ATOM 678 O GLY A 43 -10.421 3.363 -8.494 1.00 0.00 O ATOM 0 H GLY A 43 -10.949 2.259 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.116 0.647 -7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.269 1.965 -7.484 1.00 0.00 H new ATOM 682 N LYS A 44 -9.111 2.632 -6.815 1.00 0.00 N ATOM 683 CA LYS A 44 -8.025 3.572 -7.101 1.00 0.00 C ATOM 684 C LYS A 44 -6.658 2.892 -7.013 1.00 0.00 C ATOM 685 O LYS A 44 -6.430 2.050 -6.137 1.00 0.00 O ATOM 686 CB LYS A 44 -8.042 4.708 -6.076 1.00 0.00 C ATOM 687 CG LYS A 44 -9.168 5.712 -6.289 1.00 0.00 C ATOM 688 CD LYS A 44 -8.724 6.879 -7.161 1.00 0.00 C ATOM 689 CE LYS A 44 -8.570 8.157 -6.347 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.628 9.375 -7.203 1.00 0.00 N ATOM 0 H LYS A 44 -8.939 2.022 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.180 3.949 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.132 4.282 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.088 5.233 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.018 5.213 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.508 6.088 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.776 6.636 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.452 7.038 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.358 8.205 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.620 8.134 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.519 10.222 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.861 9.343 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.544 9.411 -7.693 1.00 0.00 H new ATOM 704 N GLU A 45 -5.748 3.301 -7.897 1.00 0.00 N ATOM 705 CA GLU A 45 -4.379 2.788 -7.908 1.00 0.00 C ATOM 706 C GLU A 45 -3.436 3.875 -7.379 1.00 0.00 C ATOM 707 O GLU A 45 -3.333 4.932 -7.999 1.00 0.00 O ATOM 708 CB GLU A 45 -3.977 2.373 -9.329 1.00 0.00 C ATOM 709 CG GLU A 45 -2.767 1.448 -9.391 1.00 0.00 C ATOM 710 CD GLU A 45 -2.808 0.524 -10.592 1.00 0.00 C ATOM 711 OE1 GLU A 45 -3.923 0.203 -11.056 1.00 0.00 O ATOM 712 OE2 GLU A 45 -1.726 0.124 -11.070 1.00 0.00 O ATOM 0 H GLU A 45 -5.938 3.993 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.313 1.908 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.824 1.878 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.765 3.270 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.857 2.047 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.721 0.853 -8.479 1.00 0.00 H new ATOM 719 N GLY A 46 -2.800 3.678 -6.222 1.00 0.00 N ATOM 720 CA GLY A 46 -1.956 4.749 -5.693 1.00 0.00 C ATOM 721 C GLY A 46 -0.609 4.308 -5.150 1.00 0.00 C ATOM 722 O GLY A 46 -0.295 3.120 -5.112 1.00 0.00 O ATOM 0 H GLY A 46 -2.848 2.830 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.788 5.480 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.500 5.258 -4.898 1.00 0.00 H new ATOM 726 N LEU A 47 0.181 5.295 -4.705 1.00 0.00 N ATOM 727 CA LEU A 47 1.497 5.018 -4.132 1.00 0.00 C ATOM 728 C LEU A 47 1.384 4.942 -2.610 1.00 0.00 C ATOM 729 O LEU A 47 0.582 5.652 -2.008 1.00 0.00 O ATOM 730 CB LEU A 47 2.538 6.089 -4.531 1.00 0.00 C ATOM 731 CG LEU A 47 2.007 7.344 -5.230 1.00 0.00 C ATOM 732 CD1 LEU A 47 3.045 8.459 -5.187 1.00 0.00 C ATOM 733 CD2 LEU A 47 1.615 7.040 -6.665 1.00 0.00 C ATOM 0 H LEU A 47 -0.069 6.283 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 47 1.842 4.063 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.067 6.400 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.273 5.621 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 47 1.116 7.677 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.651 9.343 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.275 8.702 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.953 8.130 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.241 7.947 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.486 6.677 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.836 6.277 -6.676 1.00 0.00 H new ATOM 745 N ILE A 48 2.165 4.071 -1.987 1.00 0.00 N ATOM 746 CA ILE A 48 2.098 3.925 -0.535 1.00 0.00 C ATOM 747 C ILE A 48 3.441 3.550 0.085 1.00 0.00 C ATOM 748 O ILE A 48 4.118 2.642 -0.400 1.00 0.00 O ATOM 749 CB ILE A 48 1.051 2.867 -0.143 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.420 1.511 -0.743 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.330 3.297 -0.612 1.00 0.00 C ATOM 752 CD1 ILE A 48 1.998 0.548 0.269 1.00 0.00 C ATOM 0 H ILE A 48 2.841 3.464 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 48 1.810 4.901 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 48 1.036 2.773 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.532 1.066 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.142 1.661 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.062 2.541 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.592 4.248 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.327 3.411 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.238 -0.395 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.904 0.974 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.269 0.370 1.059 1.00 0.00 H new ATOM 764 N PRO A 49 3.736 4.088 1.290 1.00 0.00 N ATOM 765 CA PRO A 49 4.951 3.762 2.034 1.00 0.00 C ATOM 766 C PRO A 49 5.250 2.264 2.113 1.00 0.00 C ATOM 767 O PRO A 49 4.371 1.454 2.413 1.00 0.00 O ATOM 768 CB PRO A 49 4.727 4.338 3.434 1.00 0.00 C ATOM 769 CG PRO A 49 3.279 4.694 3.489 1.00 0.00 C ATOM 770 CD PRO A 49 2.852 4.970 2.069 1.00 0.00 C ATOM 0 HA PRO A 49 5.819 4.183 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.982 3.610 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.354 5.214 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.695 3.880 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.118 5.568 4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.800 4.733 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.987 6.018 1.802 1.00 0.00 H new ATOM 778 N SER A 50 6.483 1.908 1.767 1.00 0.00 N ATOM 779 CA SER A 50 6.937 0.516 1.786 1.00 0.00 C ATOM 780 C SER A 50 7.112 0.012 3.219 1.00 0.00 C ATOM 781 O SER A 50 6.802 -1.138 3.530 1.00 0.00 O ATOM 782 CB SER A 50 8.265 0.371 1.037 1.00 0.00 C ATOM 783 OG SER A 50 8.311 -0.835 0.293 1.00 0.00 O ATOM 0 H SER A 50 7.196 2.572 1.466 1.00 0.00 H new ATOM 0 HA SER A 50 6.173 -0.083 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.400 1.219 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.090 0.393 1.749 1.00 0.00 H new ATOM 0 HG SER A 50 8.076 -0.652 -0.641 1.00 0.00 H new ATOM 789 N ASN A 51 7.664 0.868 4.070 1.00 0.00 N ATOM 790 CA ASN A 51 7.960 0.503 5.457 1.00 0.00 C ATOM 791 C ASN A 51 6.722 0.277 6.326 1.00 0.00 C ATOM 792 O ASN A 51 6.823 -0.321 7.397 1.00 0.00 O ATOM 793 CB ASN A 51 8.811 1.608 6.090 1.00 0.00 C ATOM 794 CG ASN A 51 10.238 1.167 6.352 1.00 0.00 C ATOM 795 OD1 ASN A 51 10.993 0.884 5.423 1.00 0.00 O ATOM 796 ND2 ASN A 51 10.614 1.105 7.623 1.00 0.00 N ATOM 0 H ASN A 51 7.918 1.825 3.826 1.00 0.00 H new ATOM 0 HA ASN A 51 8.488 -0.450 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.818 2.478 5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.353 1.921 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.562 0.814 7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.955 1.349 8.362 1.00 0.00 H new ATOM 803 N TYR A 52 5.558 0.717 5.869 1.00 0.00 N ATOM 804 CA TYR A 52 4.329 0.520 6.641 1.00 0.00 C ATOM 805 C TYR A 52 3.605 -0.767 6.221 1.00 0.00 C ATOM 806 O TYR A 52 2.679 -1.251 6.914 1.00 0.00 O ATOM 807 CB TYR A 52 3.396 1.722 6.465 1.00 0.00 C ATOM 808 CG TYR A 52 3.927 3.003 7.078 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.264 3.360 6.949 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.089 3.853 7.788 1.00 0.00 C ATOM 811 CE1 TYR A 52 5.748 4.524 7.509 1.00 0.00 C ATOM 812 CE2 TYR A 52 3.569 5.018 8.354 1.00 0.00 C ATOM 813 CZ TYR A 52 4.897 5.349 8.211 1.00 0.00 C ATOM 814 OH TYR A 52 5.378 6.506 8.775 1.00 0.00 O ATOM 0 H TYR A 52 5.434 1.206 4.982 1.00 0.00 H new ATOM 0 HA TYR A 52 4.606 0.427 7.691 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.223 1.884 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.430 1.489 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.935 2.715 6.401 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.045 3.599 7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.789 4.787 7.398 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.905 5.666 8.906 1.00 0.00 H new ATOM 0 HH TYR A 52 4.649 6.974 9.234 1.00 0.00 H new ATOM 824 N ILE A 53 4.116 -1.417 5.176 1.00 0.00 N ATOM 825 CA ILE A 53 3.539 -2.668 4.728 1.00 0.00 C ATOM 826 C ILE A 53 4.595 -3.671 4.304 1.00 0.00 C ATOM 827 O ILE A 53 5.750 -3.324 4.062 1.00 0.00 O ATOM 828 CB ILE A 53 2.537 -2.431 3.548 1.00 0.00 C ATOM 829 CG1 ILE A 53 2.992 -3.079 2.227 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.301 -0.942 3.314 1.00 0.00 C ATOM 831 CD1 ILE A 53 2.324 -4.408 1.939 1.00 0.00 C ATOM 0 H ILE A 53 4.919 -1.097 4.634 1.00 0.00 H new ATOM 0 HA ILE A 53 3.003 -3.085 5.581 1.00 0.00 H new ATOM 0 HB ILE A 53 1.608 -2.912 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.785 -2.393 1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.072 -3.224 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.601 -0.810 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.887 -0.493 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.246 -0.458 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.694 -4.804 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.552 -5.111 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.245 -4.267 1.876 1.00 0.00 H new ATOM 843 N GLU A 54 4.167 -4.921 4.206 1.00 0.00 N ATOM 844 CA GLU A 54 5.012 -6.026 3.808 1.00 0.00 C ATOM 845 C GLU A 54 4.214 -7.019 2.963 1.00 0.00 C ATOM 846 O GLU A 54 3.004 -7.182 3.169 1.00 0.00 O ATOM 847 CB GLU A 54 5.540 -6.740 5.058 1.00 0.00 C ATOM 848 CG GLU A 54 7.055 -6.838 5.117 1.00 0.00 C ATOM 849 CD GLU A 54 7.580 -6.931 6.538 1.00 0.00 C ATOM 850 OE1 GLU A 54 7.752 -5.872 7.176 1.00 0.00 O ATOM 851 OE2 GLU A 54 7.822 -8.062 7.010 1.00 0.00 O ATOM 0 H GLU A 54 3.205 -5.196 4.405 1.00 0.00 H new ATOM 0 HA GLU A 54 5.845 -5.641 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.185 -6.212 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.119 -7.745 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.381 -7.714 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.491 -5.966 4.629 1.00 0.00 H new ATOM 858 N MET A 55 4.883 -7.735 2.074 1.00 0.00 N ATOM 859 CA MET A 55 4.198 -8.711 1.232 1.00 0.00 C ATOM 860 C MET A 55 3.492 -9.763 2.064 1.00 0.00 C ATOM 861 O MET A 55 4.119 -10.506 2.821 1.00 0.00 O ATOM 862 CB MET A 55 5.157 -9.385 0.237 1.00 0.00 C ATOM 863 CG MET A 55 6.631 -9.330 0.620 1.00 0.00 C ATOM 864 SD MET A 55 6.978 -10.124 2.200 1.00 0.00 S ATOM 865 CE MET A 55 8.762 -10.288 2.104 1.00 0.00 C ATOM 0 H MET A 55 5.888 -7.663 1.915 1.00 0.00 H new ATOM 0 HA MET A 55 3.451 -8.159 0.662 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.865 -10.429 0.126 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.033 -8.914 -0.738 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.221 -9.811 -0.160 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.950 -8.289 0.665 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.133 -10.764 3.012 1.00 0.00 H new ATOM 0 HE2 MET A 55 9.025 -10.898 1.240 1.00 0.00 H new ATOM 0 HE3 MET A 55 9.213 -9.301 2.002 1.00 0.00 H new ATOM 875 N LYS A 56 2.181 -9.874 1.843 1.00 0.00 N ATOM 876 CA LYS A 56 1.375 -10.868 2.490 1.00 0.00 C ATOM 877 C LYS A 56 1.369 -12.094 1.601 1.00 0.00 C ATOM 878 O LYS A 56 2.273 -12.278 0.785 1.00 0.00 O ATOM 879 CB LYS A 56 -0.063 -10.397 2.780 1.00 0.00 C ATOM 880 CG LYS A 56 -0.565 -10.760 4.178 1.00 0.00 C ATOM 881 CD LYS A 56 -0.551 -12.261 4.433 1.00 0.00 C ATOM 882 CE LYS A 56 -1.686 -12.693 5.343 1.00 0.00 C ATOM 883 NZ LYS A 56 -1.203 -13.010 6.714 1.00 0.00 N ATOM 0 H LYS A 56 1.663 -9.268 1.206 1.00 0.00 H new ATOM 0 HA LYS A 56 1.806 -11.086 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.112 -9.315 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.734 -10.833 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.056 -10.263 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.580 -10.383 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.626 -12.791 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.401 -12.544 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.433 -11.901 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.179 -13.568 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.007 -13.301 7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.509 -13.783 6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.755 -12.167 7.128 1.00 0.00 H new ATOM 897 N ASN A 57 0.336 -12.904 1.710 1.00 0.00 N ATOM 898 CA ASN A 57 0.214 -14.072 0.861 1.00 0.00 C ATOM 899 C ASN A 57 1.473 -14.907 0.945 1.00 0.00 C ATOM 900 O ASN A 57 2.033 -15.331 -0.066 1.00 0.00 O ATOM 901 CB ASN A 57 -0.034 -13.627 -0.586 1.00 0.00 C ATOM 902 CG ASN A 57 -1.514 -13.532 -0.959 1.00 0.00 C ATOM 903 OD1 ASN A 57 -1.860 -12.916 -1.968 1.00 0.00 O ATOM 904 ND2 ASN A 57 -2.402 -14.136 -0.165 1.00 0.00 N ATOM 0 H ASN A 57 -0.428 -12.777 2.374 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.627 -14.678 1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.433 -12.655 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.457 -14.328 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.397 -14.094 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.086 -14.639 0.664 1.00 0.00 H new ATOM 911 N HIS A 58 1.876 -15.184 2.167 1.00 0.00 N ATOM 912 CA HIS A 58 3.051 -16.004 2.422 1.00 0.00 C ATOM 913 C HIS A 58 2.984 -16.667 3.799 1.00 0.00 C ATOM 914 O HIS A 58 3.981 -17.198 4.287 1.00 0.00 O ATOM 915 CB HIS A 58 4.312 -15.144 2.300 1.00 0.00 C ATOM 916 CG HIS A 58 5.355 -15.722 1.393 1.00 0.00 C ATOM 917 ND1 HIS A 58 6.123 -16.819 1.726 1.00 0.00 N ATOM 918 CD2 HIS A 58 5.763 -15.342 0.158 1.00 0.00 C ATOM 919 CE1 HIS A 58 6.959 -17.086 0.738 1.00 0.00 C ATOM 920 NE2 HIS A 58 6.760 -16.207 -0.225 1.00 0.00 N ATOM 0 H HIS A 58 1.405 -14.852 3.009 1.00 0.00 H new ATOM 0 HA HIS A 58 3.083 -16.801 1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.032 -14.156 1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.743 -15.006 3.292 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.377 -14.514 -0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.682 -17.888 0.722 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.265 -16.174 -1.111 1.00 0.00 H new ATOM 929 N ASP A 59 1.808 -16.633 4.426 1.00 0.00 N ATOM 930 CA ASP A 59 1.630 -17.233 5.744 1.00 0.00 C ATOM 931 C ASP A 59 0.414 -18.153 5.761 1.00 0.00 C ATOM 932 O ASP A 59 -0.615 -17.786 5.155 1.00 0.00 O ATOM 933 CB ASP A 59 1.471 -16.146 6.809 1.00 0.00 C ATOM 934 CG ASP A 59 1.852 -16.631 8.194 1.00 0.00 C ATOM 935 OD1 ASP A 59 2.899 -17.300 8.323 1.00 0.00 O ATOM 936 OD2 ASP A 59 1.098 -16.350 9.148 1.00 0.00 O ATOM 937 OXT ASP A 59 0.502 -19.236 6.377 1.00 0.00 O ATOM 0 H ASP A 59 0.969 -16.198 4.043 1.00 0.00 H new ATOM 0 HA ASP A 59 2.518 -17.824 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.090 -15.289 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.437 -15.801 6.820 1.00 0.00 H new TER 942 ASP A 59