USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 456 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 147:sc= -0.449 (180deg=-1.75!) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.0501 (180deg=-0.0642) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.84 X(o=-2.8,f=-3.1) 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 13:sc= -0.649 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0347 (180deg=-0.175) USER MOD Single : A 23 GLN : amide:sc= -0.825 K(o=-0.82,f=-7.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -6.28! C(o=-6.3!,f=-15!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 40:sc= 0.0181 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -68:sc= -0.491 USER MOD Single : A 51 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.44) 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= -3.19! C(o=-3.2!,f=-15!) USER MOD Single : A 58 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.950 -9.811 -4.168 1.00 0.00 N ATOM 2 CA MET A 1 -0.123 -8.941 -4.739 1.00 0.00 C ATOM 3 C MET A 1 -0.947 -8.241 -3.658 1.00 0.00 C ATOM 4 O MET A 1 -1.665 -7.284 -3.949 1.00 0.00 O ATOM 5 CB MET A 1 -1.023 -9.801 -5.632 1.00 0.00 C ATOM 6 CG MET A 1 -2.074 -9.012 -6.403 1.00 0.00 C ATOM 7 SD MET A 1 -3.540 -9.992 -6.789 1.00 0.00 S ATOM 8 CE MET A 1 -4.069 -10.492 -5.151 1.00 0.00 C ATOM 0 H1 MET A 1 1.522 -10.209 -4.940 1.00 0.00 H new ATOM 0 H2 MET A 1 1.559 -9.246 -3.542 1.00 0.00 H new ATOM 0 H3 MET A 1 0.517 -10.585 -3.624 1.00 0.00 H new ATOM 0 HA MET A 1 0.348 -8.150 -5.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.399 -10.344 -6.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.525 -10.545 -5.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.369 -8.140 -5.819 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.636 -8.641 -7.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.156 -10.563 -5.126 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.636 -11.463 -4.909 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.737 -9.755 -4.420 1.00 0.00 H new ATOM 20 N GLU A 2 -0.826 -8.677 -2.417 1.00 0.00 N ATOM 21 CA GLU A 2 -1.546 -8.030 -1.324 1.00 0.00 C ATOM 22 C GLU A 2 -0.586 -7.644 -0.189 1.00 0.00 C ATOM 23 O GLU A 2 0.361 -8.375 0.100 1.00 0.00 O ATOM 24 CB GLU A 2 -2.656 -8.925 -0.766 1.00 0.00 C ATOM 25 CG GLU A 2 -2.152 -10.266 -0.260 1.00 0.00 C ATOM 26 CD GLU A 2 -1.832 -11.233 -1.385 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.780 -11.801 -1.967 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.634 -11.420 -1.685 1.00 0.00 O ATOM 0 H GLU A 2 -0.244 -9.467 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.002 -7.130 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.158 -8.403 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.401 -9.095 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.258 -10.109 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.904 -10.710 0.392 1.00 0.00 H new ATOM 35 N ALA A 3 -0.848 -6.512 0.473 1.00 0.00 N ATOM 36 CA ALA A 3 -0.006 -6.053 1.584 1.00 0.00 C ATOM 37 C ALA A 3 -0.850 -5.534 2.743 1.00 0.00 C ATOM 38 O ALA A 3 -1.943 -4.997 2.564 1.00 0.00 O ATOM 39 CB ALA A 3 0.938 -4.954 1.120 1.00 0.00 C ATOM 0 H ALA A 3 -1.634 -5.898 0.260 1.00 0.00 H new ATOM 0 HA ALA A 3 0.573 -6.910 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.554 -4.626 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.579 -5.336 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.358 -4.111 0.744 1.00 0.00 H new ATOM 45 N ILE A 4 -0.285 -5.700 3.939 1.00 0.00 N ATOM 46 CA ILE A 4 -0.949 -5.240 5.162 1.00 0.00 C ATOM 47 C ILE A 4 -0.270 -4.017 5.752 1.00 0.00 C ATOM 48 O ILE A 4 0.953 -3.960 5.875 1.00 0.00 O ATOM 49 CB ILE A 4 -0.968 -6.295 6.281 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.910 -5.906 7.420 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.431 -6.551 6.813 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.262 -7.086 8.302 1.00 0.00 C ATOM 0 H ILE A 4 0.621 -6.144 4.088 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.966 -5.018 4.839 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.347 -7.217 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.443 -5.129 8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.823 -5.481 7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.388 -7.301 7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.067 -6.911 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.843 -5.625 7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.933 -6.759 9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.754 -7.853 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.353 -7.496 8.741 1.00 0.00 H new ATOM 64 N ALA A 5 -1.083 -3.052 6.153 1.00 0.00 N ATOM 65 CA ALA A 5 -0.578 -1.836 6.763 1.00 0.00 C ATOM 66 C ALA A 5 0.032 -2.103 8.135 1.00 0.00 C ATOM 67 O ALA A 5 -0.679 -2.451 9.077 1.00 0.00 O ATOM 68 CB ALA A 5 -1.686 -0.812 6.870 1.00 0.00 C ATOM 0 H ALA A 5 -2.099 -3.090 6.066 1.00 0.00 H new ATOM 0 HA ALA A 5 0.213 -1.445 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.298 0.097 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.066 -0.582 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.493 -1.212 7.484 1.00 0.00 H new ATOM 74 N LYS A 6 1.328 -1.866 8.263 1.00 0.00 N ATOM 75 CA LYS A 6 2.002 -2.025 9.550 1.00 0.00 C ATOM 76 C LYS A 6 1.941 -0.725 10.359 1.00 0.00 C ATOM 77 O LYS A 6 2.122 -0.714 11.577 1.00 0.00 O ATOM 78 CB LYS A 6 3.454 -2.458 9.353 1.00 0.00 C ATOM 79 CG LYS A 6 4.244 -2.577 10.648 1.00 0.00 C ATOM 80 CD LYS A 6 3.625 -3.592 11.595 1.00 0.00 C ATOM 81 CE LYS A 6 4.036 -3.326 13.035 1.00 0.00 C ATOM 82 NZ LYS A 6 3.514 -4.365 13.964 1.00 0.00 N ATOM 0 H LYS A 6 1.934 -1.565 7.500 1.00 0.00 H new ATOM 0 HA LYS A 6 1.482 -2.804 10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.469 -3.420 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.951 -1.740 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.270 -2.868 10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.289 -1.604 11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.539 -3.555 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.933 -4.597 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.123 -3.293 13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.668 -2.347 13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.817 -4.146 14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.475 -4.379 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.885 -5.296 13.687 1.00 0.00 H new ATOM 96 N HIS A 7 1.668 0.361 9.646 1.00 0.00 N ATOM 97 CA HIS A 7 1.563 1.678 10.264 1.00 0.00 C ATOM 98 C HIS A 7 0.666 2.581 9.426 1.00 0.00 C ATOM 99 O HIS A 7 0.034 2.160 8.461 1.00 0.00 O ATOM 100 CB HIS A 7 2.950 2.298 10.452 1.00 0.00 C ATOM 101 CG HIS A 7 3.802 1.543 11.425 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.528 1.480 12.775 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.920 0.801 11.237 1.00 0.00 C ATOM 104 CE1 HIS A 7 4.440 0.736 13.374 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.295 0.310 12.463 1.00 0.00 N ATOM 0 H HIS A 7 1.515 0.356 8.638 1.00 0.00 H new ATOM 0 HA HIS A 7 1.112 1.568 11.250 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.458 2.338 9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.839 3.326 10.797 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.423 0.628 10.297 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.480 0.514 14.430 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.103 -0.287 12.641 1.00 0.00 H new ATOM 114 N ASP A 8 0.509 3.793 9.947 1.00 0.00 N ATOM 115 CA ASP A 8 -0.390 4.764 9.336 1.00 0.00 C ATOM 116 C ASP A 8 0.327 5.479 8.197 1.00 0.00 C ATOM 117 O ASP A 8 1.532 5.712 8.273 1.00 0.00 O ATOM 118 CB ASP A 8 -0.852 5.783 10.384 1.00 0.00 C ATOM 119 CG ASP A 8 -2.034 6.608 9.914 1.00 0.00 C ATOM 120 OD1 ASP A 8 -2.624 6.260 8.872 1.00 0.00 O ATOM 121 OD2 ASP A 8 -2.368 7.604 10.592 1.00 0.00 O ATOM 0 H ASP A 8 0.988 4.124 10.784 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.263 4.244 8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.121 5.259 11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.024 6.448 10.628 1.00 0.00 H new ATOM 126 N PHE A 9 -0.397 5.793 7.120 1.00 0.00 N ATOM 127 CA PHE A 9 0.250 6.448 5.987 1.00 0.00 C ATOM 128 C PHE A 9 -0.585 7.560 5.363 1.00 0.00 C ATOM 129 O PHE A 9 -1.699 7.334 4.893 1.00 0.00 O ATOM 130 CB PHE A 9 0.584 5.451 4.872 1.00 0.00 C ATOM 131 CG PHE A 9 0.804 6.074 3.517 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.749 7.073 3.333 1.00 0.00 C ATOM 133 CD2 PHE A 9 0.067 5.648 2.427 1.00 0.00 C ATOM 134 CE1 PHE A 9 1.951 7.631 2.082 1.00 0.00 C ATOM 135 CE2 PHE A 9 0.262 6.203 1.179 1.00 0.00 C ATOM 136 CZ PHE A 9 1.207 7.193 1.003 1.00 0.00 C ATOM 0 H PHE A 9 -1.395 5.612 7.011 1.00 0.00 H new ATOM 0 HA PHE A 9 1.156 6.881 6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.481 4.899 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.226 4.726 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.333 7.419 4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.671 4.870 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.689 8.408 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.325 5.862 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.365 7.624 0.025 1.00 0.00 H new ATOM 146 N SER A 10 0.033 8.720 5.242 1.00 0.00 N ATOM 147 CA SER A 10 -0.572 9.861 4.575 1.00 0.00 C ATOM 148 C SER A 10 0.318 10.250 3.395 1.00 0.00 C ATOM 149 O SER A 10 1.540 10.333 3.516 1.00 0.00 O ATOM 150 CB SER A 10 -0.764 11.002 5.574 1.00 0.00 C ATOM 151 OG SER A 10 0.471 11.408 6.136 1.00 0.00 O ATOM 0 H SER A 10 0.970 8.899 5.603 1.00 0.00 H new ATOM 0 HA SER A 10 -1.562 9.616 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.235 11.849 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.440 10.683 6.368 1.00 0.00 H new ATOM 0 HG SER A 10 0.317 12.140 6.769 1.00 0.00 H new ATOM 157 N ALA A 11 -0.317 10.411 2.234 1.00 0.00 N ATOM 158 CA ALA A 11 0.369 10.710 0.995 1.00 0.00 C ATOM 159 C ALA A 11 1.271 11.925 1.089 1.00 0.00 C ATOM 160 O ALA A 11 0.955 12.920 1.741 1.00 0.00 O ATOM 161 CB ALA A 11 -0.665 10.936 -0.101 1.00 0.00 C ATOM 0 H ALA A 11 -1.329 10.335 2.135 1.00 0.00 H new ATOM 0 HA ALA A 11 1.009 9.857 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.158 11.162 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.269 10.037 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.309 11.771 0.173 1.00 0.00 H new ATOM 167 N THR A 12 2.441 11.782 0.483 1.00 0.00 N ATOM 168 CA THR A 12 3.447 12.824 0.497 1.00 0.00 C ATOM 169 C THR A 12 3.581 13.414 -0.905 1.00 0.00 C ATOM 170 O THR A 12 4.452 14.236 -1.182 1.00 0.00 O ATOM 171 CB THR A 12 4.764 12.287 1.088 1.00 0.00 C ATOM 172 OG1 THR A 12 4.655 12.158 2.495 1.00 0.00 O ATOM 173 CG2 THR A 12 5.977 13.149 0.807 1.00 0.00 C ATOM 0 H THR A 12 2.715 10.943 -0.029 1.00 0.00 H new ATOM 0 HA THR A 12 3.149 13.643 1.151 1.00 0.00 H new ATOM 0 HB THR A 12 4.916 11.326 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.498 11.814 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.859 12.695 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.124 13.231 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.823 14.142 1.229 1.00 0.00 H new ATOM 181 N ALA A 13 2.654 13.017 -1.768 1.00 0.00 N ATOM 182 CA ALA A 13 2.611 13.512 -3.131 1.00 0.00 C ATOM 183 C ALA A 13 1.181 13.452 -3.656 1.00 0.00 C ATOM 184 O ALA A 13 0.303 12.849 -3.042 1.00 0.00 O ATOM 185 CB ALA A 13 3.558 12.699 -4.001 1.00 0.00 C ATOM 0 H ALA A 13 1.918 12.348 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 13 2.936 14.552 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.524 13.073 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.574 12.789 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.256 11.652 -3.987 1.00 0.00 H new ATOM 191 N ASP A 14 0.955 14.128 -4.770 1.00 0.00 N ATOM 192 CA ASP A 14 -0.372 14.219 -5.366 1.00 0.00 C ATOM 193 C ASP A 14 -0.875 12.884 -5.878 1.00 0.00 C ATOM 194 O ASP A 14 -2.082 12.647 -5.953 1.00 0.00 O ATOM 195 CB ASP A 14 -0.368 15.245 -6.504 1.00 0.00 C ATOM 196 CG ASP A 14 0.040 16.629 -6.038 1.00 0.00 C ATOM 197 OD1 ASP A 14 -0.754 17.273 -5.321 1.00 0.00 O ATOM 198 OD2 ASP A 14 1.155 17.070 -6.388 1.00 0.00 O ATOM 0 H ASP A 14 1.680 14.627 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.054 14.540 -4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.315 14.913 -7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.362 15.293 -6.948 1.00 0.00 H new ATOM 203 N ASP A 15 0.049 12.055 -6.308 1.00 0.00 N ATOM 204 CA ASP A 15 -0.290 10.770 -6.885 1.00 0.00 C ATOM 205 C ASP A 15 -0.250 9.605 -5.890 1.00 0.00 C ATOM 206 O ASP A 15 -0.136 8.442 -6.274 1.00 0.00 O ATOM 207 CB ASP A 15 0.691 10.465 -8.021 1.00 0.00 C ATOM 208 CG ASP A 15 -0.014 10.053 -9.299 1.00 0.00 C ATOM 209 OD1 ASP A 15 -1.016 9.311 -9.212 1.00 0.00 O ATOM 210 OD2 ASP A 15 0.434 10.472 -10.388 1.00 0.00 O ATOM 0 H ASP A 15 1.050 12.248 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.319 10.853 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.303 11.346 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.367 9.669 -7.709 1.00 0.00 H new ATOM 215 N GLU A 16 -0.314 9.960 -4.592 1.00 0.00 N ATOM 216 CA GLU A 16 -0.255 8.995 -3.504 1.00 0.00 C ATOM 217 C GLU A 16 -1.609 8.803 -2.816 1.00 0.00 C ATOM 218 O GLU A 16 -2.530 9.605 -2.980 1.00 0.00 O ATOM 219 CB GLU A 16 0.796 9.454 -2.489 1.00 0.00 C ATOM 220 CG GLU A 16 2.229 9.240 -2.952 1.00 0.00 C ATOM 221 CD GLU A 16 3.151 8.818 -1.823 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.228 7.603 -1.542 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.796 9.701 -1.222 1.00 0.00 O ATOM 0 H GLU A 16 -0.408 10.927 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 16 0.021 8.028 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.646 10.513 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.642 8.918 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.245 8.479 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.604 10.161 -3.397 1.00 0.00 H new ATOM 230 N LEU A 17 -1.701 7.739 -2.025 1.00 0.00 N ATOM 231 CA LEU A 17 -2.934 7.442 -1.292 1.00 0.00 C ATOM 232 C LEU A 17 -2.697 7.535 0.216 1.00 0.00 C ATOM 233 O LEU A 17 -1.751 8.193 0.648 1.00 0.00 O ATOM 234 CB LEU A 17 -3.471 6.062 -1.688 1.00 0.00 C ATOM 235 CG LEU A 17 -4.908 6.062 -2.218 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.152 4.833 -3.076 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.911 6.117 -1.072 1.00 0.00 C ATOM 0 H LEU A 17 -0.945 7.071 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.687 8.184 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.817 5.638 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.418 5.404 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.045 6.952 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.177 4.845 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.461 4.835 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.993 3.935 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.924 6.116 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.776 5.248 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.752 7.026 -0.493 1.00 0.00 H new ATOM 249 N SER A 18 -3.533 6.879 1.029 1.00 0.00 N ATOM 250 CA SER A 18 -3.376 6.906 2.481 1.00 0.00 C ATOM 251 C SER A 18 -3.997 5.658 3.098 1.00 0.00 C ATOM 252 O SER A 18 -4.902 5.062 2.512 1.00 0.00 O ATOM 253 CB SER A 18 -4.049 8.135 3.090 1.00 0.00 C ATOM 254 OG SER A 18 -3.321 9.311 2.794 1.00 0.00 O ATOM 0 H SER A 18 -4.324 6.324 0.702 1.00 0.00 H new ATOM 0 HA SER A 18 -2.308 6.943 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.065 8.226 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.127 8.013 4.170 1.00 0.00 H new ATOM 0 HG SER A 18 -2.656 9.118 2.101 1.00 0.00 H new ATOM 260 N PHE A 19 -3.518 5.254 4.275 1.00 0.00 N ATOM 261 CA PHE A 19 -4.051 4.064 4.937 1.00 0.00 C ATOM 262 C PHE A 19 -3.642 4.003 6.409 1.00 0.00 C ATOM 263 O PHE A 19 -2.742 4.720 6.847 1.00 0.00 O ATOM 264 CB PHE A 19 -3.582 2.811 4.195 1.00 0.00 C ATOM 265 CG PHE A 19 -2.111 2.542 4.358 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.618 1.999 5.531 1.00 0.00 C ATOM 267 CD2 PHE A 19 -1.220 2.843 3.343 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.262 1.759 5.687 1.00 0.00 C ATOM 269 CE2 PHE A 19 0.135 2.606 3.499 1.00 0.00 C ATOM 270 CZ PHE A 19 0.611 2.063 4.668 1.00 0.00 C ATOM 0 H PHE A 19 -2.771 5.727 4.784 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.139 4.116 4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.145 1.950 4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.810 2.918 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.298 1.759 6.335 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.585 3.267 2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.109 1.334 6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.820 2.849 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.668 1.875 4.787 1.00 0.00 H new ATOM 280 N ARG A 20 -4.337 3.159 7.172 1.00 0.00 N ATOM 281 CA ARG A 20 -4.080 3.019 8.604 1.00 0.00 C ATOM 282 C ARG A 20 -3.611 1.608 8.967 1.00 0.00 C ATOM 283 O ARG A 20 -3.909 0.639 8.269 1.00 0.00 O ATOM 284 CB ARG A 20 -5.354 3.350 9.391 1.00 0.00 C ATOM 285 CG ARG A 20 -5.320 4.702 10.087 1.00 0.00 C ATOM 286 CD ARG A 20 -6.602 5.489 9.850 1.00 0.00 C ATOM 287 NE ARG A 20 -7.796 4.657 10.012 1.00 0.00 N ATOM 288 CZ ARG A 20 -8.688 4.423 9.047 1.00 0.00 C ATOM 289 NH1 ARG A 20 -8.534 4.946 7.837 1.00 0.00 N ATOM 290 NH2 ARG A 20 -9.744 3.660 9.296 1.00 0.00 N ATOM 0 H ARG A 20 -5.084 2.561 6.820 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.282 3.714 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.205 3.325 8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.519 2.573 10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.175 4.557 11.157 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.468 5.277 9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.647 6.326 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.588 5.910 8.845 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.957 4.228 10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.726 5.535 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.223 4.759 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.873 3.254 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.427 3.479 8.561 1.00 0.00 H new ATOM 304 N LYS A 21 -2.891 1.511 10.088 1.00 0.00 N ATOM 305 CA LYS A 21 -2.391 0.228 10.588 1.00 0.00 C ATOM 306 C LYS A 21 -3.528 -0.781 10.719 1.00 0.00 C ATOM 307 O LYS A 21 -4.578 -0.491 11.294 1.00 0.00 O ATOM 308 CB LYS A 21 -1.662 0.389 11.939 1.00 0.00 C ATOM 309 CG LYS A 21 -1.931 1.702 12.673 1.00 0.00 C ATOM 310 CD LYS A 21 -3.341 1.756 13.247 1.00 0.00 C ATOM 311 CE LYS A 21 -4.129 2.949 12.720 1.00 0.00 C ATOM 312 NZ LYS A 21 -3.567 4.244 13.194 1.00 0.00 N ATOM 0 H LYS A 21 -2.640 2.311 10.669 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.670 -0.146 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.950 -0.437 12.589 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.589 0.301 11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.207 1.822 13.479 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.786 2.537 11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.869 0.835 12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.288 1.809 14.334 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.128 2.931 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.168 2.866 13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.284 4.991 13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.291 4.158 14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.732 4.489 12.625 1.00 0.00 H new ATOM 326 N GLY A 22 -3.278 -1.990 10.217 1.00 0.00 N ATOM 327 CA GLY A 22 -4.252 -3.064 10.298 1.00 0.00 C ATOM 328 C GLY A 22 -5.106 -3.203 9.056 1.00 0.00 C ATOM 329 O GLY A 22 -5.793 -4.212 8.890 1.00 0.00 O ATOM 0 H GLY A 22 -2.407 -2.245 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.730 -4.004 10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.900 -2.891 11.157 1.00 0.00 H new ATOM 333 N GLN A 23 -5.073 -2.211 8.178 1.00 0.00 N ATOM 334 CA GLN A 23 -5.884 -2.265 6.967 1.00 0.00 C ATOM 335 C GLN A 23 -5.275 -3.103 5.840 1.00 0.00 C ATOM 336 O GLN A 23 -4.077 -3.379 5.854 1.00 0.00 O ATOM 337 CB GLN A 23 -6.138 -0.874 6.387 1.00 0.00 C ATOM 338 CG GLN A 23 -7.470 -0.275 6.810 1.00 0.00 C ATOM 339 CD GLN A 23 -8.221 0.353 5.653 1.00 0.00 C ATOM 340 OE1 GLN A 23 -7.762 0.325 4.512 1.00 0.00 O ATOM 341 NE2 GLN A 23 -9.385 0.924 5.943 1.00 0.00 N ATOM 0 H GLN A 23 -4.503 -1.371 8.277 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.809 -2.734 7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.334 -0.207 6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.103 -0.931 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.087 -1.053 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.297 0.479 7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.728 0.924 6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.936 1.362 5.205 1.00 0.00 H new ATOM 350 N ILE A 24 -6.097 -3.552 4.893 1.00 0.00 N ATOM 351 CA ILE A 24 -5.603 -4.392 3.805 1.00 0.00 C ATOM 352 C ILE A 24 -5.584 -3.652 2.465 1.00 0.00 C ATOM 353 O ILE A 24 -6.625 -3.312 1.907 1.00 0.00 O ATOM 354 CB ILE A 24 -6.435 -5.686 3.682 1.00 0.00 C ATOM 355 CG1 ILE A 24 -5.849 -6.601 2.605 1.00 0.00 C ATOM 356 CG2 ILE A 24 -7.900 -5.376 3.391 1.00 0.00 C ATOM 357 CD1 ILE A 24 -6.269 -8.046 2.751 1.00 0.00 C ATOM 0 H ILE A 24 -7.096 -3.351 4.857 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.575 -4.654 4.055 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.390 -6.207 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.156 -6.238 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.761 -6.541 2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.460 -6.308 3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.312 -4.774 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.976 -4.824 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.818 -8.638 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.938 -8.425 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.355 -8.118 2.686 1.00 0.00 H new ATOM 369 N LEU A 25 -4.377 -3.401 1.966 1.00 0.00 N ATOM 370 CA LEU A 25 -4.188 -2.695 0.702 1.00 0.00 C ATOM 371 C LEU A 25 -3.964 -3.680 -0.445 1.00 0.00 C ATOM 372 O LEU A 25 -3.254 -4.671 -0.283 1.00 0.00 O ATOM 373 CB LEU A 25 -2.979 -1.764 0.817 1.00 0.00 C ATOM 374 CG LEU A 25 -3.286 -0.361 1.347 1.00 0.00 C ATOM 375 CD1 LEU A 25 -2.332 0.016 2.472 1.00 0.00 C ATOM 376 CD2 LEU A 25 -3.213 0.657 0.219 1.00 0.00 C ATOM 0 H LEU A 25 -3.508 -3.679 2.422 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.087 -2.116 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.243 -2.230 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.517 -1.671 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.299 -0.361 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.571 1.017 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.434 -0.697 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.307 -0.001 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.434 1.650 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.212 0.651 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.941 0.400 -0.550 1.00 0.00 H new ATOM 388 N LYS A 26 -4.543 -3.397 -1.610 1.00 0.00 N ATOM 389 CA LYS A 26 -4.391 -4.262 -2.778 1.00 0.00 C ATOM 390 C LYS A 26 -3.246 -3.788 -3.666 1.00 0.00 C ATOM 391 O LYS A 26 -3.349 -2.745 -4.308 1.00 0.00 O ATOM 392 CB LYS A 26 -5.693 -4.280 -3.576 1.00 0.00 C ATOM 393 CG LYS A 26 -6.043 -5.644 -4.138 1.00 0.00 C ATOM 394 CD LYS A 26 -6.685 -6.526 -3.082 1.00 0.00 C ATOM 395 CE LYS A 26 -6.846 -7.953 -3.574 1.00 0.00 C ATOM 396 NZ LYS A 26 -6.608 -8.943 -2.489 1.00 0.00 N ATOM 0 H LYS A 26 -5.123 -2.573 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.159 -5.269 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.507 -3.941 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.616 -3.567 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.723 -5.529 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.142 -6.125 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.075 -6.518 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.660 -6.121 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.851 -8.088 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.149 -8.136 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.727 -9.905 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.641 -8.832 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.289 -8.785 -1.719 1.00 0.00 H new ATOM 410 N ILE A 27 -2.219 -4.621 -3.816 1.00 0.00 N ATOM 411 CA ILE A 27 -1.101 -4.292 -4.695 1.00 0.00 C ATOM 412 C ILE A 27 -1.371 -4.692 -6.144 1.00 0.00 C ATOM 413 O ILE A 27 -1.687 -5.844 -6.439 1.00 0.00 O ATOM 414 CB ILE A 27 0.196 -4.980 -4.232 1.00 0.00 C ATOM 415 CG1 ILE A 27 0.386 -4.821 -2.725 1.00 0.00 C ATOM 416 CG2 ILE A 27 1.397 -4.416 -4.976 1.00 0.00 C ATOM 417 CD1 ILE A 27 1.394 -5.792 -2.150 1.00 0.00 C ATOM 0 H ILE A 27 -2.138 -5.522 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.985 -3.210 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 27 0.114 -6.043 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.708 -3.802 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.573 -4.964 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.304 -4.915 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.273 -4.582 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.476 -3.346 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.484 -5.629 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.062 -6.813 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.363 -5.634 -2.624 1.00 0.00 H new ATOM 429 N LEU A 28 -1.228 -3.718 -7.035 1.00 0.00 N ATOM 430 CA LEU A 28 -1.435 -3.921 -8.466 1.00 0.00 C ATOM 431 C LEU A 28 -0.107 -3.879 -9.215 1.00 0.00 C ATOM 432 O LEU A 28 0.106 -4.613 -10.179 1.00 0.00 O ATOM 433 CB LEU A 28 -2.367 -2.839 -9.005 1.00 0.00 C ATOM 434 CG LEU A 28 -3.850 -3.077 -8.723 1.00 0.00 C ATOM 435 CD1 LEU A 28 -4.548 -1.763 -8.423 1.00 0.00 C ATOM 436 CD2 LEU A 28 -4.513 -3.776 -9.902 1.00 0.00 C ATOM 0 H LEU A 28 -0.965 -2.764 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.885 -4.902 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.078 -1.881 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.224 -2.759 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.936 -3.723 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.604 -1.949 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.090 -1.299 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.452 -1.096 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.569 -3.937 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.418 -3.156 -10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.028 -4.737 -10.075 1.00 0.00 H new ATOM 448 N ASN A 29 0.787 -3.026 -8.738 1.00 0.00 N ATOM 449 CA ASN A 29 2.108 -2.876 -9.331 1.00 0.00 C ATOM 450 C ASN A 29 3.117 -2.415 -8.288 1.00 0.00 C ATOM 451 O ASN A 29 2.814 -1.550 -7.466 1.00 0.00 O ATOM 452 CB ASN A 29 2.088 -1.869 -10.493 1.00 0.00 C ATOM 453 CG ASN A 29 1.030 -0.790 -10.368 1.00 0.00 C ATOM 454 OD1 ASN A 29 0.218 -0.792 -9.446 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.036 0.142 -11.312 1.00 0.00 N ATOM 0 H ASN A 29 0.619 -2.421 -7.934 1.00 0.00 H new ATOM 0 HA ASN A 29 2.403 -3.852 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.067 -1.395 -10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.928 -2.411 -11.425 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.348 0.895 -11.290 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.728 0.106 -12.060 1.00 0.00 H new ATOM 462 N MET A 30 4.319 -2.967 -8.341 1.00 0.00 N ATOM 463 CA MET A 30 5.372 -2.591 -7.402 1.00 0.00 C ATOM 464 C MET A 30 6.205 -1.429 -7.948 1.00 0.00 C ATOM 465 O MET A 30 7.156 -0.982 -7.307 1.00 0.00 O ATOM 466 CB MET A 30 6.277 -3.795 -7.095 1.00 0.00 C ATOM 467 CG MET A 30 7.298 -4.121 -8.184 1.00 0.00 C ATOM 468 SD MET A 30 6.554 -4.705 -9.724 1.00 0.00 S ATOM 469 CE MET A 30 6.731 -6.481 -9.555 1.00 0.00 C ATOM 0 H MET A 30 4.592 -3.676 -9.022 1.00 0.00 H new ATOM 0 HA MET A 30 4.896 -2.266 -6.477 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.809 -3.604 -6.163 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.650 -4.671 -6.930 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.891 -3.231 -8.392 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.984 -4.881 -7.811 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.315 -6.973 -10.434 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.787 -6.734 -9.463 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.199 -6.817 -8.665 1.00 0.00 H new ATOM 479 N GLU A 31 5.840 -0.959 -9.140 1.00 0.00 N ATOM 480 CA GLU A 31 6.522 0.127 -9.804 1.00 0.00 C ATOM 481 C GLU A 31 7.803 -0.372 -10.464 1.00 0.00 C ATOM 482 O GLU A 31 7.807 -1.393 -11.149 1.00 0.00 O ATOM 483 CB GLU A 31 6.809 1.284 -8.825 1.00 0.00 C ATOM 484 CG GLU A 31 5.558 1.869 -8.186 1.00 0.00 C ATOM 485 CD GLU A 31 5.691 3.352 -7.893 1.00 0.00 C ATOM 486 OE1 GLU A 31 6.210 4.084 -8.763 1.00 0.00 O ATOM 487 OE2 GLU A 31 5.276 3.780 -6.796 1.00 0.00 O ATOM 0 H GLU A 31 5.052 -1.333 -9.669 1.00 0.00 H new ATOM 0 HA GLU A 31 5.868 0.516 -10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.475 0.927 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.339 2.075 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.707 1.708 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.345 1.337 -7.259 1.00 0.00 H new ATOM 494 N ASP A 32 8.884 0.341 -10.238 1.00 0.00 N ATOM 495 CA ASP A 32 10.189 -0.021 -10.785 1.00 0.00 C ATOM 496 C ASP A 32 11.076 -0.755 -9.782 1.00 0.00 C ATOM 497 O ASP A 32 12.262 -0.964 -10.033 1.00 0.00 O ATOM 498 CB ASP A 32 10.904 1.101 -11.550 1.00 0.00 C ATOM 499 CG ASP A 32 10.749 2.453 -10.881 1.00 0.00 C ATOM 500 OD1 ASP A 32 9.644 3.031 -10.959 1.00 0.00 O ATOM 501 OD2 ASP A 32 11.732 2.937 -10.279 1.00 0.00 O ATOM 0 H ASP A 32 8.892 1.189 -9.671 1.00 0.00 H new ATOM 0 HA ASP A 32 9.965 -0.749 -11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.964 0.861 -11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.508 1.154 -12.564 1.00 0.00 H new ATOM 506 N ASP A 33 10.494 -1.105 -8.629 1.00 0.00 N ATOM 507 CA ASP A 33 11.236 -1.794 -7.562 1.00 0.00 C ATOM 508 C ASP A 33 12.066 -0.784 -6.790 1.00 0.00 C ATOM 509 O ASP A 33 13.296 -0.786 -6.850 1.00 0.00 O ATOM 510 CB ASP A 33 12.143 -2.889 -8.149 1.00 0.00 C ATOM 511 CG ASP A 33 11.369 -4.122 -8.567 1.00 0.00 C ATOM 512 OD1 ASP A 33 10.710 -4.730 -7.699 1.00 0.00 O ATOM 513 OD2 ASP A 33 11.422 -4.483 -9.763 1.00 0.00 O ATOM 0 H ASP A 33 9.514 -0.924 -8.410 1.00 0.00 H new ATOM 0 HA ASP A 33 10.524 -2.269 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.677 -2.490 -9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.894 -3.169 -7.410 1.00 0.00 H new ATOM 518 N SER A 34 11.375 0.058 -6.034 1.00 0.00 N ATOM 519 CA SER A 34 12.054 1.064 -5.238 1.00 0.00 C ATOM 520 C SER A 34 11.266 1.425 -3.960 1.00 0.00 C ATOM 521 O SER A 34 10.792 0.540 -3.247 1.00 0.00 O ATOM 522 CB SER A 34 12.320 2.295 -6.124 1.00 0.00 C ATOM 523 OG SER A 34 13.678 2.340 -6.534 1.00 0.00 O ATOM 0 H SER A 34 10.358 0.064 -5.957 1.00 0.00 H new ATOM 0 HA SER A 34 13.005 0.662 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.672 2.264 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.071 3.203 -5.575 1.00 0.00 H new ATOM 0 HG SER A 34 13.984 1.435 -6.751 1.00 0.00 H new ATOM 529 N ASN A 35 11.284 2.700 -3.598 1.00 0.00 N ATOM 530 CA ASN A 35 10.693 3.176 -2.348 1.00 0.00 C ATOM 531 C ASN A 35 9.183 3.405 -2.408 1.00 0.00 C ATOM 532 O ASN A 35 8.507 3.286 -1.383 1.00 0.00 O ATOM 533 CB ASN A 35 11.393 4.453 -1.876 1.00 0.00 C ATOM 534 CG ASN A 35 11.828 4.374 -0.425 1.00 0.00 C ATOM 535 OD1 ASN A 35 11.004 4.451 0.488 1.00 0.00 O ATOM 536 ND2 ASN A 35 13.127 4.218 -0.207 1.00 0.00 N ATOM 0 H ASN A 35 11.708 3.437 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 35 10.848 2.370 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.264 4.639 -2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.720 5.301 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.480 4.157 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.773 4.159 -0.994 1.00 0.00 H new ATOM 543 N TRP A 36 8.638 3.701 -3.578 1.00 0.00 N ATOM 544 CA TRP A 36 7.196 3.904 -3.688 1.00 0.00 C ATOM 545 C TRP A 36 6.552 2.747 -4.455 1.00 0.00 C ATOM 546 O TRP A 36 7.042 2.351 -5.514 1.00 0.00 O ATOM 547 CB TRP A 36 6.902 5.214 -4.421 1.00 0.00 C ATOM 548 CG TRP A 36 7.475 6.412 -3.724 1.00 0.00 C ATOM 549 CD1 TRP A 36 8.442 7.254 -4.194 1.00 0.00 C ATOM 550 CD2 TRP A 36 7.117 6.898 -2.425 1.00 0.00 C ATOM 551 NE1 TRP A 36 8.712 8.229 -3.264 1.00 0.00 N ATOM 552 CE2 TRP A 36 7.910 8.033 -2.170 1.00 0.00 C ATOM 553 CE3 TRP A 36 6.203 6.483 -1.453 1.00 0.00 C ATOM 554 CZ2 TRP A 36 7.818 8.755 -0.981 1.00 0.00 C ATOM 555 CZ3 TRP A 36 6.111 7.200 -0.276 1.00 0.00 C ATOM 556 CH2 TRP A 36 6.914 8.325 -0.048 1.00 0.00 C ATOM 0 H TRP A 36 9.157 3.805 -4.450 1.00 0.00 H new ATOM 0 HA TRP A 36 6.780 3.947 -2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.308 5.159 -5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.823 5.337 -4.517 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.924 7.166 -5.156 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.398 8.977 -3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.580 5.617 -1.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.437 9.622 -0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.408 6.888 0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.818 8.864 0.883 1.00 0.00 H new ATOM 567 N TYR A 37 5.456 2.202 -3.925 1.00 0.00 N ATOM 568 CA TYR A 37 4.749 1.093 -4.563 1.00 0.00 C ATOM 569 C TYR A 37 3.362 1.545 -5.007 1.00 0.00 C ATOM 570 O TYR A 37 2.829 2.524 -4.487 1.00 0.00 O ATOM 571 CB TYR A 37 4.623 -0.087 -3.595 1.00 0.00 C ATOM 572 CG TYR A 37 5.740 -1.104 -3.703 1.00 0.00 C ATOM 573 CD1 TYR A 37 6.998 -0.747 -4.176 1.00 0.00 C ATOM 574 CD2 TYR A 37 5.534 -2.425 -3.323 1.00 0.00 C ATOM 575 CE1 TYR A 37 8.017 -1.678 -4.266 1.00 0.00 C ATOM 576 CE2 TYR A 37 6.547 -3.361 -3.411 1.00 0.00 C ATOM 577 CZ TYR A 37 7.787 -2.981 -3.884 1.00 0.00 C ATOM 578 OH TYR A 37 8.803 -3.907 -3.974 1.00 0.00 O ATOM 0 H TYR A 37 5.037 2.514 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 37 5.319 0.774 -5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.594 0.296 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.672 -0.589 -3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.182 0.273 -4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.565 -2.725 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.989 -1.384 -4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.370 -4.383 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 37 8.479 -4.779 -3.665 1.00 0.00 H new ATOM 588 N ARG A 38 2.780 0.840 -5.971 1.00 0.00 N ATOM 589 CA ARG A 38 1.459 1.203 -6.470 1.00 0.00 C ATOM 590 C ARG A 38 0.399 0.181 -6.058 1.00 0.00 C ATOM 591 O ARG A 38 0.453 -0.983 -6.463 1.00 0.00 O ATOM 592 CB ARG A 38 1.508 1.367 -7.987 1.00 0.00 C ATOM 593 CG ARG A 38 0.313 2.103 -8.575 1.00 0.00 C ATOM 594 CD ARG A 38 0.707 3.473 -9.109 1.00 0.00 C ATOM 595 NE ARG A 38 0.476 3.592 -10.550 1.00 0.00 N ATOM 596 CZ ARG A 38 -0.259 4.552 -11.115 1.00 0.00 C ATOM 597 NH1 ARG A 38 -0.860 5.472 -10.371 1.00 0.00 N ATOM 598 NH2 ARG A 38 -0.393 4.589 -12.433 1.00 0.00 N ATOM 0 H ARG A 38 3.196 0.023 -6.418 1.00 0.00 H new ATOM 0 HA ARG A 38 1.172 2.154 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.418 1.904 -8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.574 0.380 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.121 1.509 -9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.457 2.217 -7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.138 4.242 -8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.760 3.655 -8.895 1.00 0.00 H new ATOM 0 HE ARG A 38 0.904 2.897 -11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.763 5.450 -9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.419 6.201 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.065 3.885 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.954 5.321 -12.868 1.00 0.00 H new ATOM 612 N ALA A 39 -0.617 0.647 -5.337 1.00 0.00 N ATOM 613 CA ALA A 39 -1.707 -0.225 -4.910 1.00 0.00 C ATOM 614 C ALA A 39 -3.061 0.482 -4.916 1.00 0.00 C ATOM 615 O ALA A 39 -3.158 1.676 -5.201 1.00 0.00 O ATOM 616 CB ALA A 39 -1.402 -0.767 -3.521 1.00 0.00 C ATOM 0 H ALA A 39 -0.708 1.618 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.778 -1.043 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.214 -1.419 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.471 -1.333 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.302 0.062 -2.821 1.00 0.00 H new ATOM 622 N GLU A 40 -4.105 -0.278 -4.588 1.00 0.00 N ATOM 623 CA GLU A 40 -5.468 0.247 -4.538 1.00 0.00 C ATOM 624 C GLU A 40 -6.073 0.064 -3.144 1.00 0.00 C ATOM 625 O GLU A 40 -5.797 -0.926 -2.466 1.00 0.00 O ATOM 626 CB GLU A 40 -6.361 -0.484 -5.541 1.00 0.00 C ATOM 627 CG GLU A 40 -7.701 0.198 -5.768 1.00 0.00 C ATOM 628 CD GLU A 40 -8.494 -0.424 -6.900 1.00 0.00 C ATOM 629 OE1 GLU A 40 -7.959 -0.504 -8.026 1.00 0.00 O ATOM 630 OE2 GLU A 40 -9.652 -0.829 -6.663 1.00 0.00 O ATOM 0 H GLU A 40 -4.031 -1.267 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.416 1.308 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.836 -0.563 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.535 -1.500 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.288 0.150 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.534 1.253 -5.985 1.00 0.00 H new ATOM 637 N LEU A 41 -6.913 1.009 -2.727 1.00 0.00 N ATOM 638 CA LEU A 41 -7.576 0.941 -1.429 1.00 0.00 C ATOM 639 C LEU A 41 -8.950 1.600 -1.517 1.00 0.00 C ATOM 640 O LEU A 41 -9.107 2.662 -2.121 1.00 0.00 O ATOM 641 CB LEU A 41 -6.730 1.630 -0.352 1.00 0.00 C ATOM 642 CG LEU A 41 -7.042 1.214 1.090 1.00 0.00 C ATOM 643 CD1 LEU A 41 -5.882 1.553 2.016 1.00 0.00 C ATOM 644 CD2 LEU A 41 -8.313 1.891 1.576 1.00 0.00 C ATOM 0 H LEU A 41 -7.151 1.836 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.696 -0.107 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.678 1.425 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.867 2.708 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.190 0.134 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.127 1.248 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.987 1.026 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.700 2.627 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.519 1.584 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.186 2.973 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.147 1.602 0.936 1.00 0.00 H new ATOM 656 N ASP A 42 -9.957 0.890 -1.019 1.00 0.00 N ATOM 657 CA ASP A 42 -11.343 1.352 -1.086 1.00 0.00 C ATOM 658 C ASP A 42 -11.754 1.752 -2.507 1.00 0.00 C ATOM 659 O ASP A 42 -12.517 2.699 -2.695 1.00 0.00 O ATOM 660 CB ASP A 42 -11.549 2.529 -0.134 1.00 0.00 C ATOM 661 CG ASP A 42 -12.896 2.480 0.560 1.00 0.00 C ATOM 662 OD1 ASP A 42 -13.040 1.695 1.521 1.00 0.00 O ATOM 663 OD2 ASP A 42 -13.806 3.226 0.144 1.00 0.00 O ATOM 0 H ASP A 42 -9.840 -0.014 -0.561 1.00 0.00 H new ATOM 0 HA ASP A 42 -11.978 0.518 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.757 2.530 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.463 3.462 -0.690 1.00 0.00 H new ATOM 668 N GLY A 43 -11.254 1.023 -3.503 1.00 0.00 N ATOM 669 CA GLY A 43 -11.597 1.322 -4.888 1.00 0.00 C ATOM 670 C GLY A 43 -10.813 2.492 -5.456 1.00 0.00 C ATOM 671 O GLY A 43 -11.163 3.036 -6.504 1.00 0.00 O ATOM 0 H GLY A 43 -10.620 0.234 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.415 0.439 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.663 1.541 -4.953 1.00 0.00 H new ATOM 675 N LYS A 44 -9.773 2.898 -4.745 1.00 0.00 N ATOM 676 CA LYS A 44 -8.937 4.017 -5.167 1.00 0.00 C ATOM 677 C LYS A 44 -7.511 3.524 -5.376 1.00 0.00 C ATOM 678 O LYS A 44 -7.005 2.747 -4.571 1.00 0.00 O ATOM 679 CB LYS A 44 -8.948 5.098 -4.082 1.00 0.00 C ATOM 680 CG LYS A 44 -8.066 6.306 -4.391 1.00 0.00 C ATOM 681 CD LYS A 44 -8.271 6.829 -5.807 1.00 0.00 C ATOM 682 CE LYS A 44 -9.024 8.150 -5.814 1.00 0.00 C ATOM 683 NZ LYS A 44 -9.867 8.297 -7.030 1.00 0.00 N ATOM 0 H LYS A 44 -9.484 2.468 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.322 4.433 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.973 5.439 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.622 4.655 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.282 7.102 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.020 6.032 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.303 6.959 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.823 6.092 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.652 8.215 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.313 8.974 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.365 9.210 -6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.264 8.260 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.562 7.524 -7.066 1.00 0.00 H new ATOM 697 N GLU A 45 -6.838 4.015 -6.407 1.00 0.00 N ATOM 698 CA GLU A 45 -5.454 3.624 -6.654 1.00 0.00 C ATOM 699 C GLU A 45 -4.528 4.756 -6.262 1.00 0.00 C ATOM 700 O GLU A 45 -4.964 5.892 -6.068 1.00 0.00 O ATOM 701 CB GLU A 45 -5.246 3.220 -8.116 1.00 0.00 C ATOM 702 CG GLU A 45 -3.894 2.595 -8.403 1.00 0.00 C ATOM 703 CD GLU A 45 -3.889 1.823 -9.707 1.00 0.00 C ATOM 704 OE1 GLU A 45 -4.575 0.785 -9.781 1.00 0.00 O ATOM 705 OE2 GLU A 45 -3.209 2.262 -10.657 1.00 0.00 O ATOM 0 H GLU A 45 -7.221 4.678 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.221 2.752 -6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.027 2.515 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.367 4.102 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.135 3.376 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.623 1.927 -7.585 1.00 0.00 H new ATOM 712 N GLY A 46 -3.283 4.399 -5.969 1.00 0.00 N ATOM 713 CA GLY A 46 -2.336 5.369 -5.485 1.00 0.00 C ATOM 714 C GLY A 46 -0.986 4.765 -5.138 1.00 0.00 C ATOM 715 O GLY A 46 -0.730 3.581 -5.354 1.00 0.00 O ATOM 0 H GLY A 46 -2.918 3.451 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.198 6.141 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.746 5.858 -4.601 1.00 0.00 H new ATOM 719 N LEU A 47 -0.125 5.628 -4.635 1.00 0.00 N ATOM 720 CA LEU A 47 1.228 5.244 -4.247 1.00 0.00 C ATOM 721 C LEU A 47 1.348 5.184 -2.722 1.00 0.00 C ATOM 722 O LEU A 47 0.754 5.995 -2.010 1.00 0.00 O ATOM 723 CB LEU A 47 2.240 6.243 -4.811 1.00 0.00 C ATOM 724 CG LEU A 47 2.784 5.915 -6.203 1.00 0.00 C ATOM 725 CD1 LEU A 47 1.657 5.906 -7.223 1.00 0.00 C ATOM 726 CD2 LEU A 47 3.854 6.921 -6.601 1.00 0.00 C ATOM 0 H LEU A 47 -0.338 6.614 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 47 1.439 4.255 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.772 7.227 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.079 6.313 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 47 3.233 4.922 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.060 5.671 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.920 5.154 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.182 6.887 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.233 6.676 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.425 7.923 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.672 6.886 -5.882 1.00 0.00 H new ATOM 738 N ILE A 48 2.120 4.219 -2.233 1.00 0.00 N ATOM 739 CA ILE A 48 2.326 4.036 -0.793 1.00 0.00 C ATOM 740 C ILE A 48 3.822 3.990 -0.471 1.00 0.00 C ATOM 741 O ILE A 48 4.626 3.625 -1.330 1.00 0.00 O ATOM 742 CB ILE A 48 1.639 2.744 -0.268 1.00 0.00 C ATOM 743 CG1 ILE A 48 1.428 1.705 -1.378 1.00 0.00 C ATOM 744 CG2 ILE A 48 0.299 3.076 0.363 1.00 0.00 C ATOM 745 CD1 ILE A 48 2.305 0.486 -1.230 1.00 0.00 C ATOM 0 H ILE A 48 2.618 3.545 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 48 1.869 4.888 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 48 2.307 2.313 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.383 1.394 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.625 2.170 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.169 2.161 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.449 3.762 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.347 3.544 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.105 -0.207 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.353 0.786 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.092 -0.002 -0.279 1.00 0.00 H new ATOM 757 N PRO A 49 4.232 4.362 0.765 1.00 0.00 N ATOM 758 CA PRO A 49 5.640 4.351 1.135 1.00 0.00 C ATOM 759 C PRO A 49 6.085 2.931 1.479 1.00 0.00 C ATOM 760 O PRO A 49 5.570 2.317 2.414 1.00 0.00 O ATOM 761 CB PRO A 49 5.708 5.279 2.343 1.00 0.00 C ATOM 762 CG PRO A 49 4.355 5.165 2.973 1.00 0.00 C ATOM 763 CD PRO A 49 3.377 4.816 1.869 1.00 0.00 C ATOM 0 HA PRO A 49 6.302 4.680 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.495 4.976 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.923 6.305 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.354 4.396 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.074 6.102 3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.683 4.036 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.777 5.679 1.580 1.00 0.00 H new ATOM 771 N SER A 50 7.023 2.409 0.697 1.00 0.00 N ATOM 772 CA SER A 50 7.541 1.041 0.846 1.00 0.00 C ATOM 773 C SER A 50 8.114 0.663 2.227 1.00 0.00 C ATOM 774 O SER A 50 8.823 -0.328 2.392 1.00 0.00 O ATOM 775 CB SER A 50 8.648 0.799 -0.174 1.00 0.00 C ATOM 776 OG SER A 50 9.800 1.566 0.129 1.00 0.00 O ATOM 0 H SER A 50 7.455 2.925 -0.070 1.00 0.00 H new ATOM 0 HA SER A 50 6.659 0.418 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.907 -0.260 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.290 1.054 -1.171 1.00 0.00 H new ATOM 0 HG SER A 50 9.605 2.517 -0.006 1.00 0.00 H new ATOM 782 N ASN A 51 7.767 1.502 3.196 1.00 0.00 N ATOM 783 CA ASN A 51 8.211 1.295 4.574 1.00 0.00 C ATOM 784 C ASN A 51 7.038 1.079 5.528 1.00 0.00 C ATOM 785 O ASN A 51 7.205 0.533 6.619 1.00 0.00 O ATOM 786 CB ASN A 51 9.078 2.460 5.063 1.00 0.00 C ATOM 787 CG ASN A 51 10.442 2.000 5.539 1.00 0.00 C ATOM 788 OD1 ASN A 51 10.575 0.932 6.141 1.00 0.00 O ATOM 789 ND2 ASN A 51 11.466 2.803 5.274 1.00 0.00 N ATOM 0 H ASN A 51 7.184 2.327 3.057 1.00 0.00 H new ATOM 0 HA ASN A 51 8.815 0.387 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.201 3.182 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.566 2.975 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.407 2.545 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.312 3.678 4.773 1.00 0.00 H new ATOM 796 N TYR A 52 5.856 1.522 5.118 1.00 0.00 N ATOM 797 CA TYR A 52 4.660 1.403 5.942 1.00 0.00 C ATOM 798 C TYR A 52 3.785 0.206 5.557 1.00 0.00 C ATOM 799 O TYR A 52 2.648 0.101 6.024 1.00 0.00 O ATOM 800 CB TYR A 52 3.839 2.690 5.839 1.00 0.00 C ATOM 801 CG TYR A 52 4.557 3.914 6.369 1.00 0.00 C ATOM 802 CD1 TYR A 52 5.768 4.330 5.827 1.00 0.00 C ATOM 803 CD2 TYR A 52 4.017 4.655 7.412 1.00 0.00 C ATOM 804 CE1 TYR A 52 6.418 5.451 6.310 1.00 0.00 C ATOM 805 CE2 TYR A 52 4.662 5.775 7.901 1.00 0.00 C ATOM 806 CZ TYR A 52 5.860 6.171 7.347 1.00 0.00 C ATOM 807 OH TYR A 52 6.502 7.289 7.831 1.00 0.00 O ATOM 0 H TYR A 52 5.700 1.969 4.215 1.00 0.00 H new ATOM 0 HA TYR A 52 4.993 1.239 6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.574 2.859 4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.906 2.561 6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.208 3.769 5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.077 4.351 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.358 5.762 5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.229 6.338 8.714 1.00 0.00 H new ATOM 0 HH TYR A 52 5.975 7.679 8.559 1.00 0.00 H new ATOM 817 N ILE A 53 4.274 -0.679 4.689 1.00 0.00 N ATOM 818 CA ILE A 53 3.467 -1.826 4.274 1.00 0.00 C ATOM 819 C ILE A 53 4.243 -3.135 4.388 1.00 0.00 C ATOM 820 O ILE A 53 5.384 -3.241 3.938 1.00 0.00 O ATOM 821 CB ILE A 53 2.895 -1.654 2.834 1.00 0.00 C ATOM 822 CG1 ILE A 53 3.756 -2.370 1.777 1.00 0.00 C ATOM 823 CG2 ILE A 53 2.757 -0.177 2.488 1.00 0.00 C ATOM 824 CD1 ILE A 53 5.145 -1.792 1.618 1.00 0.00 C ATOM 0 H ILE A 53 5.202 -0.628 4.268 1.00 0.00 H new ATOM 0 HA ILE A 53 2.623 -1.871 4.962 1.00 0.00 H new ATOM 0 HB ILE A 53 1.909 -2.119 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.841 -3.423 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.244 -2.326 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.356 -0.075 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.081 0.301 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.735 0.302 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.687 -2.352 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.072 -0.747 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.678 -1.861 2.566 1.00 0.00 H new ATOM 836 N GLU A 54 3.593 -4.134 4.976 1.00 0.00 N ATOM 837 CA GLU A 54 4.187 -5.457 5.141 1.00 0.00 C ATOM 838 C GLU A 54 3.891 -6.336 3.929 1.00 0.00 C ATOM 839 O GLU A 54 2.870 -6.160 3.258 1.00 0.00 O ATOM 840 CB GLU A 54 3.666 -6.132 6.406 1.00 0.00 C ATOM 841 CG GLU A 54 4.048 -5.415 7.689 1.00 0.00 C ATOM 842 CD GLU A 54 4.524 -6.362 8.773 1.00 0.00 C ATOM 843 OE1 GLU A 54 4.002 -7.495 8.844 1.00 0.00 O ATOM 844 OE2 GLU A 54 5.418 -5.971 9.553 1.00 0.00 O ATOM 0 H GLU A 54 2.647 -4.052 5.349 1.00 0.00 H new ATOM 0 HA GLU A 54 5.266 -5.329 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.580 -6.199 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.047 -7.153 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.834 -4.691 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.189 -4.853 8.055 1.00 0.00 H new ATOM 851 N MET A 55 4.779 -7.290 3.662 1.00 0.00 N ATOM 852 CA MET A 55 4.612 -8.200 2.535 1.00 0.00 C ATOM 853 C MET A 55 3.751 -9.412 2.904 1.00 0.00 C ATOM 854 O MET A 55 4.024 -10.529 2.465 1.00 0.00 O ATOM 855 CB MET A 55 5.980 -8.664 2.033 1.00 0.00 C ATOM 856 CG MET A 55 6.023 -8.934 0.536 1.00 0.00 C ATOM 857 SD MET A 55 5.574 -7.492 -0.451 1.00 0.00 S ATOM 858 CE MET A 55 5.686 -8.164 -2.107 1.00 0.00 C ATOM 0 H MET A 55 5.622 -7.452 4.212 1.00 0.00 H new ATOM 0 HA MET A 55 4.096 -7.657 1.743 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.723 -7.905 2.278 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.264 -9.572 2.565 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.026 -9.259 0.259 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.345 -9.755 0.300 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.436 -7.389 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.701 -8.517 -2.289 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.989 -8.996 -2.210 1.00 0.00 H new ATOM 868 N LYS A 56 2.704 -9.191 3.696 1.00 0.00 N ATOM 869 CA LYS A 56 1.805 -10.274 4.095 1.00 0.00 C ATOM 870 C LYS A 56 0.671 -9.743 4.964 1.00 0.00 C ATOM 871 O LYS A 56 0.897 -9.402 6.117 1.00 0.00 O ATOM 872 CB LYS A 56 2.571 -11.360 4.855 1.00 0.00 C ATOM 873 CG LYS A 56 3.419 -10.829 6.004 1.00 0.00 C ATOM 874 CD LYS A 56 3.224 -11.652 7.273 1.00 0.00 C ATOM 875 CE LYS A 56 2.090 -11.106 8.132 1.00 0.00 C ATOM 876 NZ LYS A 56 2.572 -10.605 9.451 1.00 0.00 N ATOM 0 H LYS A 56 2.457 -8.276 4.073 1.00 0.00 H new ATOM 0 HA LYS A 56 1.382 -10.707 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.859 -12.086 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.216 -11.892 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.471 -10.844 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.157 -9.789 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.012 -12.687 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.149 -11.655 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.590 -10.297 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.348 -11.889 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.766 -10.244 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.026 -11.382 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.260 -9.840 9.301 1.00 0.00 H new ATOM 890 N ASN A 57 -0.544 -9.662 4.435 1.00 0.00 N ATOM 891 CA ASN A 57 -1.666 -9.156 5.220 1.00 0.00 C ATOM 892 C ASN A 57 -2.425 -10.269 5.926 1.00 0.00 C ATOM 893 O ASN A 57 -3.579 -10.549 5.602 1.00 0.00 O ATOM 894 CB ASN A 57 -2.612 -8.330 4.346 1.00 0.00 C ATOM 895 CG ASN A 57 -2.841 -8.956 2.990 1.00 0.00 C ATOM 896 OD1 ASN A 57 -2.481 -8.385 1.963 1.00 0.00 O ATOM 897 ND2 ASN A 57 -3.438 -10.140 2.985 1.00 0.00 N ATOM 0 H ASN A 57 -0.777 -9.935 3.480 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.248 -8.511 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.568 -8.217 4.857 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.200 -7.329 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.617 -10.617 2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.718 -10.574 3.865 1.00 0.00 H new ATOM 904 N HIS A 58 -1.787 -10.873 6.921 1.00 0.00 N ATOM 905 CA HIS A 58 -2.403 -11.924 7.718 1.00 0.00 C ATOM 906 C HIS A 58 -3.535 -11.336 8.560 1.00 0.00 C ATOM 907 O HIS A 58 -3.344 -10.346 9.267 1.00 0.00 O ATOM 908 CB HIS A 58 -1.363 -12.504 8.678 1.00 0.00 C ATOM 909 CG HIS A 58 -0.708 -13.745 8.167 1.00 0.00 C ATOM 910 ND1 HIS A 58 0.580 -14.112 8.500 1.00 0.00 N ATOM 911 CD2 HIS A 58 -1.170 -14.709 7.340 1.00 0.00 C ATOM 912 CE1 HIS A 58 0.881 -15.248 7.897 1.00 0.00 C ATOM 913 NE2 HIS A 58 -0.164 -15.631 7.188 1.00 0.00 N ATOM 0 H HIS A 58 -0.831 -10.648 7.197 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.787 -12.695 7.050 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -0.598 -11.752 8.870 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.843 -12.722 9.632 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.148 -14.747 6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.822 -15.774 7.971 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.216 -16.476 6.619 1.00 0.00 H new ATOM 922 N ASP A 59 -4.703 -11.959 8.493 1.00 0.00 N ATOM 923 CA ASP A 59 -5.850 -11.501 9.269 1.00 0.00 C ATOM 924 C ASP A 59 -6.868 -12.623 9.453 1.00 0.00 C ATOM 925 O ASP A 59 -7.345 -12.806 10.592 1.00 0.00 O ATOM 926 CB ASP A 59 -6.512 -10.298 8.599 1.00 0.00 C ATOM 927 CG ASP A 59 -6.952 -10.591 7.180 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.105 -11.033 6.375 1.00 0.00 O ATOM 929 OD2 ASP A 59 -8.144 -10.380 6.873 1.00 0.00 O ATOM 930 OXT ASP A 59 -7.176 -13.309 8.457 1.00 0.00 O ATOM 0 H ASP A 59 -4.883 -12.779 7.913 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.487 -11.198 10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.376 -9.989 9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.815 -9.460 8.594 1.00 0.00 H new TER 935 ASP A 59