USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 5:sc= 0.854 USER MOD Set 1.2: A 52 TYR OH : rot -130:sc= -3.21! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.0524 (180deg=0.0399) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.702 X(o=-0.7,f=-0.43) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -30:sc= 0.231 USER MOD Single : A 18 SER OG : rot 140:sc= -1.48! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -39:sc= 0.084 USER MOD Single : A 23 GLN : amide:sc= -0.0369 K(o=-0.037,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 30 MET CE :methyl 139:sc= -1.74 (180deg=-5.59!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 52:sc= 0.408 USER MOD Single : A 51 ASN : amide:sc= -0.0892 X(o=-0.089,f=-0.25) 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 ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.108 -9.957 -3.952 1.00 0.00 N ATOM 2 CA MET A 1 -4.500 -9.431 -3.891 1.00 0.00 C ATOM 3 C MET A 1 -4.708 -8.546 -2.664 1.00 0.00 C ATOM 4 O MET A 1 -5.406 -7.533 -2.737 1.00 0.00 O ATOM 5 CB MET A 1 -5.474 -10.612 -3.872 1.00 0.00 C ATOM 6 CG MET A 1 -6.058 -10.943 -5.237 1.00 0.00 C ATOM 7 SD MET A 1 -4.842 -11.655 -6.362 1.00 0.00 S ATOM 8 CE MET A 1 -5.731 -13.090 -6.960 1.00 0.00 C ATOM 0 H1 MET A 1 -2.985 -10.512 -4.823 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.436 -9.163 -3.950 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.930 -10.564 -3.126 1.00 0.00 H new ATOM 0 HA MET A 1 -4.684 -8.813 -4.770 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.959 -11.491 -3.484 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.288 -10.389 -3.182 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.885 -11.642 -5.114 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.470 -10.037 -5.681 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.107 -13.635 -7.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.980 -13.739 -6.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.647 -12.770 -7.456 1.00 0.00 H new ATOM 20 N GLU A 2 -4.125 -8.934 -1.534 1.00 0.00 N ATOM 21 CA GLU A 2 -4.276 -8.162 -0.307 1.00 0.00 C ATOM 22 C GLU A 2 -2.951 -8.015 0.425 1.00 0.00 C ATOM 23 O GLU A 2 -2.189 -8.969 0.566 1.00 0.00 O ATOM 24 CB GLU A 2 -5.331 -8.796 0.604 1.00 0.00 C ATOM 25 CG GLU A 2 -6.593 -9.234 -0.116 1.00 0.00 C ATOM 26 CD GLU A 2 -7.497 -10.074 0.768 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.848 -9.605 1.872 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.849 -11.200 0.360 1.00 0.00 O ATOM 0 H GLU A 2 -3.549 -9.771 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.613 -7.163 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.892 -9.660 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.600 -8.081 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.138 -8.354 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.323 -9.806 -1.004 1.00 0.00 H new ATOM 35 N ALA A 3 -2.696 -6.798 0.889 1.00 0.00 N ATOM 36 CA ALA A 3 -1.473 -6.471 1.604 1.00 0.00 C ATOM 37 C ALA A 3 -1.769 -5.539 2.781 1.00 0.00 C ATOM 38 O ALA A 3 -2.651 -4.685 2.689 1.00 0.00 O ATOM 39 CB ALA A 3 -0.494 -5.837 0.631 1.00 0.00 C ATOM 0 H ALA A 3 -3.334 -6.010 0.779 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.031 -7.379 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.429 -5.586 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.275 -6.539 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.932 -4.930 0.213 1.00 0.00 H new ATOM 45 N ILE A 4 -1.004 -5.667 3.866 1.00 0.00 N ATOM 46 CA ILE A 4 -1.186 -4.820 5.048 1.00 0.00 C ATOM 47 C ILE A 4 -0.086 -3.762 5.167 1.00 0.00 C ATOM 48 O ILE A 4 1.063 -4.028 4.842 1.00 0.00 O ATOM 49 CB ILE A 4 -1.205 -5.686 6.327 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.332 -4.825 7.584 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.042 -6.552 6.405 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.186 -5.465 8.656 1.00 0.00 C ATOM 0 H ILE A 4 -0.251 -6.350 3.952 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.140 -4.306 4.934 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.080 -6.333 6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.338 -4.631 7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.760 -3.860 7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.010 -7.155 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.085 -7.208 5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.927 -5.915 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.237 -4.805 9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.191 -5.634 8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.746 -6.418 8.951 1.00 0.00 H new ATOM 64 N ALA A 5 -0.414 -2.594 5.720 1.00 0.00 N ATOM 65 CA ALA A 5 0.590 -1.546 5.913 1.00 0.00 C ATOM 66 C ALA A 5 0.234 -0.672 7.083 1.00 0.00 C ATOM 67 O ALA A 5 -0.661 0.165 6.965 1.00 0.00 O ATOM 68 CB ALA A 5 0.709 -0.685 4.682 1.00 0.00 C ATOM 0 H ALA A 5 -1.352 -2.351 6.038 1.00 0.00 H new ATOM 0 HA ALA A 5 1.543 -2.039 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.461 0.087 4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.005 -1.302 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.252 -0.216 4.472 1.00 0.00 H new ATOM 74 N LYS A 6 0.933 -0.794 8.193 1.00 0.00 N ATOM 75 CA LYS A 6 0.591 0.060 9.316 1.00 0.00 C ATOM 76 C LYS A 6 1.553 1.228 9.488 1.00 0.00 C ATOM 77 O LYS A 6 2.583 1.116 10.151 1.00 0.00 O ATOM 78 CB LYS A 6 0.603 -0.817 10.575 1.00 0.00 C ATOM 79 CG LYS A 6 0.279 -0.092 11.866 1.00 0.00 C ATOM 80 CD LYS A 6 0.770 -0.875 13.074 1.00 0.00 C ATOM 81 CE LYS A 6 1.500 0.023 14.060 1.00 0.00 C ATOM 82 NZ LYS A 6 2.602 -0.698 14.759 1.00 0.00 N ATOM 0 H LYS A 6 1.706 -1.443 8.342 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.390 0.500 9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.114 -1.627 10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.587 -1.275 10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.740 0.896 11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.798 0.060 11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.077 -1.349 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.435 -1.673 12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.908 0.885 13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.792 0.405 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.074 -0.051 15.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.210 -1.506 15.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.291 -1.041 14.060 1.00 0.00 H new ATOM 96 N HIS A 7 1.143 2.383 8.962 1.00 0.00 N ATOM 97 CA HIS A 7 1.855 3.644 9.127 1.00 0.00 C ATOM 98 C HIS A 7 0.860 4.730 8.711 1.00 0.00 C ATOM 99 O HIS A 7 0.344 4.643 7.594 1.00 0.00 O ATOM 100 CB HIS A 7 3.132 3.691 8.289 1.00 0.00 C ATOM 101 CG HIS A 7 4.360 3.978 9.094 1.00 0.00 C ATOM 102 ND1 HIS A 7 5.588 4.255 8.530 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.544 4.029 10.434 1.00 0.00 C ATOM 104 CE1 HIS A 7 6.473 4.463 9.490 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.863 4.334 10.652 1.00 0.00 N ATOM 0 H HIS A 7 0.295 2.466 8.402 1.00 0.00 H new ATOM 0 HA HIS A 7 2.189 3.782 10.155 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.257 2.737 7.777 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.025 4.455 7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.792 3.861 11.191 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.517 4.698 9.347 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.302 4.444 11.566 1.00 0.00 H new ATOM 114 N ASP A 8 0.602 5.775 9.492 1.00 0.00 N ATOM 115 CA ASP A 8 -0.316 6.805 9.001 1.00 0.00 C ATOM 116 C ASP A 8 0.356 7.537 7.838 1.00 0.00 C ATOM 117 O ASP A 8 1.581 7.642 7.777 1.00 0.00 O ATOM 118 CB ASP A 8 -0.725 7.807 10.086 1.00 0.00 C ATOM 119 CG ASP A 8 -2.224 7.833 10.311 1.00 0.00 C ATOM 120 OD1 ASP A 8 -2.722 7.008 11.107 1.00 0.00 O ATOM 121 OD2 ASP A 8 -2.902 8.679 9.690 1.00 0.00 O ATOM 0 H ASP A 8 0.991 5.931 10.422 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.233 6.313 8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.224 7.552 11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.385 8.803 9.804 1.00 0.00 H new ATOM 126 N PHE A 9 -0.470 8.121 6.969 1.00 0.00 N ATOM 127 CA PHE A 9 0.044 8.925 5.858 1.00 0.00 C ATOM 128 C PHE A 9 -1.050 9.793 5.249 1.00 0.00 C ATOM 129 O PHE A 9 -2.003 9.306 4.641 1.00 0.00 O ATOM 130 CB PHE A 9 0.701 8.059 4.784 1.00 0.00 C ATOM 131 CG PHE A 9 1.949 8.678 4.214 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.847 9.344 5.036 1.00 0.00 C ATOM 133 CD2 PHE A 9 2.220 8.605 2.857 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.989 9.921 4.518 1.00 0.00 C ATOM 135 CE2 PHE A 9 3.362 9.180 2.333 1.00 0.00 C ATOM 136 CZ PHE A 9 4.248 9.838 3.165 1.00 0.00 C ATOM 0 H PHE A 9 -1.487 8.054 7.011 1.00 0.00 H new ATOM 0 HA PHE A 9 0.811 9.580 6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.946 7.086 5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.012 7.885 3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.650 9.412 6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.531 8.093 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.678 10.436 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.562 9.115 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.142 10.287 2.757 1.00 0.00 H new ATOM 146 N SER A 10 -0.867 11.099 5.423 1.00 0.00 N ATOM 147 CA SER A 10 -1.825 12.041 4.862 1.00 0.00 C ATOM 148 C SER A 10 -1.441 12.385 3.423 1.00 0.00 C ATOM 149 O SER A 10 -0.288 12.241 3.016 1.00 0.00 O ATOM 150 CB SER A 10 -1.915 13.358 5.641 1.00 0.00 C ATOM 151 OG SER A 10 -3.262 13.765 5.810 1.00 0.00 O ATOM 0 H SER A 10 -0.089 11.518 5.932 1.00 0.00 H new ATOM 0 HA SER A 10 -2.793 11.543 4.916 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.444 13.239 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.362 14.134 5.112 1.00 0.00 H new ATOM 0 HG SER A 10 -3.289 14.607 6.311 1.00 0.00 H new ATOM 157 N ALA A 11 -2.436 12.829 2.664 1.00 0.00 N ATOM 158 CA ALA A 11 -2.243 13.164 1.255 1.00 0.00 C ATOM 159 C ALA A 11 -1.416 14.426 1.045 1.00 0.00 C ATOM 160 O ALA A 11 -1.677 15.469 1.643 1.00 0.00 O ATOM 161 CB ALA A 11 -3.592 13.297 0.568 1.00 0.00 C ATOM 0 H ALA A 11 -3.389 12.966 3.001 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.676 12.347 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.442 13.547 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.133 12.354 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.170 14.086 1.050 1.00 0.00 H new ATOM 167 N THR A 12 -0.405 14.304 0.184 1.00 0.00 N ATOM 168 CA THR A 12 0.491 15.412 -0.127 1.00 0.00 C ATOM 169 C THR A 12 0.470 15.746 -1.623 1.00 0.00 C ATOM 170 O THR A 12 0.963 16.799 -2.029 1.00 0.00 O ATOM 171 CB THR A 12 1.915 15.057 0.315 1.00 0.00 C ATOM 172 OG1 THR A 12 2.816 16.124 0.056 1.00 0.00 O ATOM 173 CG2 THR A 12 2.464 13.820 -0.359 1.00 0.00 C ATOM 0 H THR A 12 -0.187 13.440 -0.313 1.00 0.00 H new ATOM 0 HA THR A 12 0.148 16.294 0.414 1.00 0.00 H new ATOM 0 HB THR A 12 1.835 14.865 1.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.509 16.629 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.475 13.628 0.001 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.828 12.966 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.486 13.973 -1.438 1.00 0.00 H new ATOM 181 N ALA A 13 -0.103 14.866 -2.449 1.00 0.00 N ATOM 182 CA ALA A 13 -0.186 15.135 -3.885 1.00 0.00 C ATOM 183 C ALA A 13 -1.027 14.106 -4.641 1.00 0.00 C ATOM 184 O ALA A 13 -1.357 13.041 -4.122 1.00 0.00 O ATOM 185 CB ALA A 13 1.182 15.235 -4.549 1.00 0.00 C ATOM 0 H ALA A 13 -0.509 13.978 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.681 16.104 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.056 15.435 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.750 16.045 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.720 14.296 -4.418 1.00 0.00 H new ATOM 191 N ASP A 14 -1.287 14.420 -5.913 1.00 0.00 N ATOM 192 CA ASP A 14 -2.009 13.535 -6.830 1.00 0.00 C ATOM 193 C ASP A 14 -1.116 12.381 -7.299 1.00 0.00 C ATOM 194 O ASP A 14 -1.097 12.037 -8.481 1.00 0.00 O ATOM 195 CB ASP A 14 -2.496 14.319 -8.053 1.00 0.00 C ATOM 196 CG ASP A 14 -1.359 14.999 -8.791 1.00 0.00 C ATOM 197 OD1 ASP A 14 -0.582 15.728 -8.140 1.00 0.00 O ATOM 198 OD2 ASP A 14 -1.244 14.800 -10.019 1.00 0.00 O ATOM 0 H ASP A 14 -1.000 15.302 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.863 13.126 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.014 13.643 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.221 15.069 -7.736 1.00 0.00 H new ATOM 203 N ASP A 15 -0.396 11.779 -6.359 1.00 0.00 N ATOM 204 CA ASP A 15 0.485 10.660 -6.680 1.00 0.00 C ATOM 205 C ASP A 15 0.724 9.786 -5.457 1.00 0.00 C ATOM 206 O ASP A 15 0.755 8.561 -5.570 1.00 0.00 O ATOM 207 CB ASP A 15 1.812 11.172 -7.244 1.00 0.00 C ATOM 208 CG ASP A 15 1.700 11.590 -8.697 1.00 0.00 C ATOM 209 OD1 ASP A 15 1.746 10.703 -9.575 1.00 0.00 O ATOM 210 OD2 ASP A 15 1.564 12.804 -8.956 1.00 0.00 O ATOM 0 H ASP A 15 -0.404 12.044 -5.374 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.003 10.049 -7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.153 12.020 -6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.568 10.393 -7.150 1.00 0.00 H new ATOM 215 N GLU A 16 0.876 10.398 -4.290 1.00 0.00 N ATOM 216 CA GLU A 16 1.091 9.639 -3.069 1.00 0.00 C ATOM 217 C GLU A 16 -0.245 9.347 -2.402 1.00 0.00 C ATOM 218 O GLU A 16 -0.977 10.266 -2.036 1.00 0.00 O ATOM 219 CB GLU A 16 2.007 10.408 -2.116 1.00 0.00 C ATOM 220 CG GLU A 16 3.232 10.998 -2.795 1.00 0.00 C ATOM 221 CD GLU A 16 4.163 9.932 -3.341 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.802 9.292 -4.351 1.00 0.00 O ATOM 223 OE2 GLU A 16 5.251 9.739 -2.760 1.00 0.00 O ATOM 0 H GLU A 16 0.854 11.410 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 16 1.575 8.695 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.439 11.212 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.330 9.740 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.914 11.650 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.774 11.619 -2.083 1.00 0.00 H new ATOM 230 N LEU A 17 -0.601 8.069 -2.330 1.00 0.00 N ATOM 231 CA LEU A 17 -1.887 7.666 -1.778 1.00 0.00 C ATOM 232 C LEU A 17 -1.860 7.720 -0.260 1.00 0.00 C ATOM 233 O LEU A 17 -1.050 7.052 0.384 1.00 0.00 O ATOM 234 CB LEU A 17 -2.209 6.229 -2.194 1.00 0.00 C ATOM 235 CG LEU A 17 -3.619 5.749 -1.843 1.00 0.00 C ATOM 236 CD1 LEU A 17 -4.088 4.702 -2.839 1.00 0.00 C ATOM 237 CD2 LEU A 17 -3.662 5.190 -0.426 1.00 0.00 C ATOM 0 H LEU A 17 -0.017 7.295 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.643 8.352 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.070 6.140 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.488 5.561 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.293 6.604 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.092 4.372 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.100 5.132 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.409 3.850 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.674 4.855 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.974 4.348 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.369 5.967 0.281 1.00 0.00 H new ATOM 249 N SER A 18 -2.794 8.468 0.309 1.00 0.00 N ATOM 250 CA SER A 18 -2.900 8.568 1.754 1.00 0.00 C ATOM 251 C SER A 18 -3.806 7.475 2.317 1.00 0.00 C ATOM 252 O SER A 18 -4.605 6.865 1.606 1.00 0.00 O ATOM 253 CB SER A 18 -3.415 9.946 2.171 1.00 0.00 C ATOM 254 OG SER A 18 -4.496 10.354 1.347 1.00 0.00 O ATOM 0 H SER A 18 -3.486 9.012 -0.207 1.00 0.00 H new ATOM 0 HA SER A 18 -1.900 8.432 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.737 9.919 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.608 10.675 2.106 1.00 0.00 H new ATOM 0 HG SER A 18 -5.177 10.795 1.896 1.00 0.00 H new ATOM 260 N PHE A 19 -3.642 7.244 3.613 1.00 0.00 N ATOM 261 CA PHE A 19 -4.437 6.236 4.305 1.00 0.00 C ATOM 262 C PHE A 19 -4.135 6.211 5.808 1.00 0.00 C ATOM 263 O PHE A 19 -3.447 7.081 6.350 1.00 0.00 O ATOM 264 CB PHE A 19 -4.214 4.841 3.713 1.00 0.00 C ATOM 265 CG PHE A 19 -5.481 4.039 3.533 1.00 0.00 C ATOM 266 CD1 PHE A 19 -6.565 4.207 4.387 1.00 0.00 C ATOM 267 CD2 PHE A 19 -5.580 3.100 2.522 1.00 0.00 C ATOM 268 CE1 PHE A 19 -7.712 3.456 4.235 1.00 0.00 C ATOM 269 CE2 PHE A 19 -6.729 2.347 2.365 1.00 0.00 C ATOM 270 CZ PHE A 19 -7.794 2.524 3.223 1.00 0.00 C ATOM 0 H PHE A 19 -2.971 7.736 4.203 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.482 6.514 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.720 4.943 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.535 4.287 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.508 4.936 5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.750 2.953 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.545 3.598 4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.792 1.619 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.690 1.934 3.102 1.00 0.00 H new ATOM 280 N ARG A 20 -4.666 5.171 6.451 1.00 0.00 N ATOM 281 CA ARG A 20 -4.487 4.950 7.872 1.00 0.00 C ATOM 282 C ARG A 20 -3.794 3.607 8.082 1.00 0.00 C ATOM 283 O ARG A 20 -3.993 2.667 7.306 1.00 0.00 O ATOM 284 CB ARG A 20 -5.835 4.995 8.595 1.00 0.00 C ATOM 285 CG ARG A 20 -6.209 6.390 9.079 1.00 0.00 C ATOM 286 CD ARG A 20 -7.705 6.525 9.317 1.00 0.00 C ATOM 287 NE ARG A 20 -8.046 6.392 10.732 1.00 0.00 N ATOM 288 CZ ARG A 20 -8.312 7.418 11.541 1.00 0.00 C ATOM 289 NH1 ARG A 20 -8.283 8.666 11.086 1.00 0.00 N ATOM 290 NH2 ARG A 20 -8.611 7.195 12.814 1.00 0.00 N ATOM 0 H ARG A 20 -5.234 4.459 5.992 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.864 5.740 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.612 4.629 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.805 4.317 9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.673 6.610 10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.890 7.128 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.045 7.494 8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.234 5.764 8.743 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.083 5.452 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.055 8.847 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.488 9.443 11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.637 6.240 13.172 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.815 7.978 13.435 1.00 0.00 H new ATOM 304 N LYS A 21 -3.023 3.494 9.149 1.00 0.00 N ATOM 305 CA LYS A 21 -2.339 2.244 9.441 1.00 0.00 C ATOM 306 C LYS A 21 -3.328 1.089 9.540 1.00 0.00 C ATOM 307 O LYS A 21 -4.479 1.273 9.931 1.00 0.00 O ATOM 308 CB LYS A 21 -1.568 2.328 10.755 1.00 0.00 C ATOM 309 CG LYS A 21 -2.355 2.923 11.911 1.00 0.00 C ATOM 310 CD LYS A 21 -1.559 2.854 13.206 1.00 0.00 C ATOM 311 CE LYS A 21 -2.454 2.981 14.430 1.00 0.00 C ATOM 312 NZ LYS A 21 -2.331 4.322 15.069 1.00 0.00 N ATOM 0 H LYS A 21 -2.855 4.242 9.821 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.644 2.067 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.239 1.327 11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.670 2.926 10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.606 3.960 11.689 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.296 2.386 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.017 1.909 13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.814 3.650 13.217 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.491 2.810 14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.193 2.208 15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.956 4.370 15.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.347 4.475 15.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.605 5.058 14.387 1.00 0.00 H new ATOM 326 N THR A 22 -2.849 -0.103 9.181 1.00 0.00 N ATOM 327 CA THR A 22 -3.615 -1.345 9.254 1.00 0.00 C ATOM 328 C THR A 22 -4.929 -1.375 8.473 1.00 0.00 C ATOM 329 O THR A 22 -5.507 -2.452 8.323 1.00 0.00 O ATOM 330 CB THR A 22 -3.864 -1.676 10.735 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.106 -3.066 10.907 1.00 0.00 O ATOM 332 CG2 THR A 22 -5.035 -0.939 11.355 1.00 0.00 C ATOM 0 H THR A 22 -1.902 -0.233 8.826 1.00 0.00 H new ATOM 0 HA THR A 22 -3.004 -2.101 8.760 1.00 0.00 H new ATOM 0 HB THR A 22 -2.954 -1.353 11.240 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.655 -3.397 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.138 -1.232 12.400 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.862 0.135 11.295 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.949 -1.189 10.816 1.00 0.00 H new ATOM 340 N GLN A 23 -5.432 -0.242 7.974 1.00 0.00 N ATOM 341 CA GLN A 23 -6.699 -0.268 7.246 1.00 0.00 C ATOM 342 C GLN A 23 -6.611 -0.994 5.895 1.00 0.00 C ATOM 343 O GLN A 23 -7.269 -0.595 4.937 1.00 0.00 O ATOM 344 CB GLN A 23 -7.304 1.129 7.096 1.00 0.00 C ATOM 345 CG GLN A 23 -8.770 1.207 7.489 1.00 0.00 C ATOM 346 CD GLN A 23 -8.964 1.367 8.984 1.00 0.00 C ATOM 347 OE1 GLN A 23 -8.179 2.036 9.656 1.00 0.00 O ATOM 348 NE2 GLN A 23 -10.015 0.752 9.513 1.00 0.00 N ATOM 0 H GLN A 23 -4.996 0.676 8.057 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.378 -0.857 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.735 1.829 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.197 1.452 6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.236 2.047 6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.281 0.304 7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.640 0.208 8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.197 0.824 10.514 1.00 0.00 H new ATOM 357 N ILE A 24 -5.852 -2.096 5.856 1.00 0.00 N ATOM 358 CA ILE A 24 -5.731 -2.954 4.666 1.00 0.00 C ATOM 359 C ILE A 24 -5.623 -2.196 3.342 1.00 0.00 C ATOM 360 O ILE A 24 -6.571 -1.538 2.913 1.00 0.00 O ATOM 361 CB ILE A 24 -6.929 -3.936 4.586 1.00 0.00 C ATOM 362 CG1 ILE A 24 -6.752 -4.927 3.436 1.00 0.00 C ATOM 363 CG2 ILE A 24 -8.250 -3.190 4.429 1.00 0.00 C ATOM 364 CD1 ILE A 24 -5.621 -5.906 3.643 1.00 0.00 C ATOM 0 H ILE A 24 -5.302 -2.421 6.651 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.790 -3.489 4.797 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.955 -4.489 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.680 -5.482 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.576 -4.372 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.069 -3.907 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.400 -2.531 5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.227 -2.598 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.558 -6.576 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.683 -5.361 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.805 -6.488 4.546 1.00 0.00 H new ATOM 376 N LEU A 25 -4.487 -2.348 2.657 1.00 0.00 N ATOM 377 CA LEU A 25 -4.310 -1.710 1.357 1.00 0.00 C ATOM 378 C LEU A 25 -4.294 -2.737 0.229 1.00 0.00 C ATOM 379 O LEU A 25 -3.738 -3.827 0.373 1.00 0.00 O ATOM 380 CB LEU A 25 -3.042 -0.862 1.284 1.00 0.00 C ATOM 381 CG LEU A 25 -2.573 -0.280 2.613 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.218 0.371 2.442 1.00 0.00 C ATOM 383 CD2 LEU A 25 -3.573 0.734 3.135 1.00 0.00 C ATOM 0 H LEU A 25 -3.690 -2.898 2.977 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.167 -1.048 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.239 -1.472 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.212 -0.042 0.586 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.492 -1.091 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.890 0.784 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.497 -0.373 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.289 1.171 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.220 1.138 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.680 1.544 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.538 0.250 3.283 1.00 0.00 H new ATOM 395 N LYS A 26 -4.910 -2.381 -0.890 1.00 0.00 N ATOM 396 CA LYS A 26 -4.997 -3.220 -2.080 1.00 0.00 C ATOM 397 C LYS A 26 -3.761 -3.023 -2.957 1.00 0.00 C ATOM 398 O LYS A 26 -3.284 -1.901 -3.118 1.00 0.00 O ATOM 399 CB LYS A 26 -6.231 -2.793 -2.876 1.00 0.00 C ATOM 400 CG LYS A 26 -7.504 -2.757 -2.048 1.00 0.00 C ATOM 401 CD LYS A 26 -8.213 -4.100 -2.061 1.00 0.00 C ATOM 402 CE LYS A 26 -9.014 -4.320 -0.787 1.00 0.00 C ATOM 403 NZ LYS A 26 -10.181 -5.214 -1.016 1.00 0.00 N ATOM 0 H LYS A 26 -5.375 -1.480 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.062 -4.267 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.055 -1.805 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.370 -3.479 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.264 -2.481 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.171 -1.988 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.877 -4.153 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.480 -4.899 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.369 -4.753 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.361 -3.360 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.702 -5.340 -0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.809 -4.789 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.848 -6.139 -1.356 1.00 0.00 H new ATOM 417 N ILE A 27 -3.179 -4.123 -3.431 1.00 0.00 N ATOM 418 CA ILE A 27 -1.961 -4.043 -4.233 1.00 0.00 C ATOM 419 C ILE A 27 -2.202 -4.534 -5.653 1.00 0.00 C ATOM 420 O ILE A 27 -2.955 -5.485 -5.862 1.00 0.00 O ATOM 421 CB ILE A 27 -0.798 -4.839 -3.604 1.00 0.00 C ATOM 422 CG1 ILE A 27 -1.110 -6.338 -3.576 1.00 0.00 C ATOM 423 CG2 ILE A 27 -0.525 -4.331 -2.204 1.00 0.00 C ATOM 424 CD1 ILE A 27 0.126 -7.209 -3.528 1.00 0.00 C ATOM 0 H ILE A 27 -3.526 -5.069 -3.276 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.680 -2.990 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 27 0.091 -4.693 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.733 -6.556 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.693 -6.597 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.297 -4.897 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.257 -3.275 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.418 -4.455 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.169 -8.258 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.739 -7.019 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.699 -6.978 -2.630 1.00 0.00 H new ATOM 436 N LEU A 28 -1.634 -3.845 -6.636 1.00 0.00 N ATOM 437 CA LEU A 28 -1.871 -4.196 -8.029 1.00 0.00 C ATOM 438 C LEU A 28 -0.900 -5.250 -8.550 1.00 0.00 C ATOM 439 O LEU A 28 -1.327 -6.303 -9.022 1.00 0.00 O ATOM 440 CB LEU A 28 -1.781 -2.941 -8.897 1.00 0.00 C ATOM 441 CG LEU A 28 -2.730 -2.908 -10.098 1.00 0.00 C ATOM 442 CD1 LEU A 28 -2.874 -1.487 -10.619 1.00 0.00 C ATOM 443 CD2 LEU A 28 -2.233 -3.834 -11.199 1.00 0.00 C ATOM 0 H LEU A 28 -1.013 -3.048 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.870 -4.628 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.982 -2.071 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.758 -2.843 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.710 -3.259 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.552 -1.479 -11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.276 -0.850 -9.831 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.898 -1.112 -10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.921 -3.797 -12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.242 -3.515 -11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.179 -4.854 -10.820 1.00 0.00 H new ATOM 455 N ASN A 29 0.402 -5.011 -8.412 1.00 0.00 N ATOM 456 CA ASN A 29 1.424 -5.957 -8.839 1.00 0.00 C ATOM 457 C ASN A 29 2.494 -6.035 -7.754 1.00 0.00 C ATOM 458 O ASN A 29 2.478 -5.246 -6.809 1.00 0.00 O ATOM 459 CB ASN A 29 2.039 -5.505 -10.168 1.00 0.00 C ATOM 460 CG ASN A 29 2.273 -4.008 -10.234 1.00 0.00 C ATOM 461 OD1 ASN A 29 3.068 -3.456 -9.473 1.00 0.00 O ATOM 462 ND2 ASN A 29 1.579 -3.344 -11.151 1.00 0.00 N ATOM 0 H ASN A 29 0.776 -4.156 -8.001 1.00 0.00 H new ATOM 0 HA ASN A 29 0.982 -6.942 -8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.987 -6.022 -10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.382 -5.801 -10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.694 -2.335 -11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.931 -3.843 -11.760 1.00 0.00 H new ATOM 469 N MET A 30 3.384 -7.015 -7.843 1.00 0.00 N ATOM 470 CA MET A 30 4.421 -7.186 -6.822 1.00 0.00 C ATOM 471 C MET A 30 5.656 -6.344 -7.160 1.00 0.00 C ATOM 472 O MET A 30 6.410 -6.701 -8.065 1.00 0.00 O ATOM 473 CB MET A 30 4.891 -8.659 -6.770 1.00 0.00 C ATOM 474 CG MET A 30 4.284 -9.586 -7.819 1.00 0.00 C ATOM 475 SD MET A 30 2.710 -10.298 -7.294 1.00 0.00 S ATOM 476 CE MET A 30 1.565 -9.449 -8.379 1.00 0.00 C ATOM 0 H MET A 30 3.413 -7.698 -8.600 1.00 0.00 H new ATOM 0 HA MET A 30 3.988 -6.878 -5.870 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.975 -8.679 -6.878 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.662 -9.059 -5.782 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.136 -9.031 -8.746 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.987 -10.390 -8.037 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.811 -10.152 -8.734 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.079 -8.640 -7.834 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.107 -9.038 -9.231 1.00 0.00 H new ATOM 536 N ASN A 35 10.387 -1.046 -4.271 1.00 0.00 N ATOM 537 CA ASN A 35 10.560 -0.006 -3.233 1.00 0.00 C ATOM 538 C ASN A 35 9.357 0.941 -3.261 1.00 0.00 C ATOM 539 O ASN A 35 8.957 1.486 -2.233 1.00 0.00 O ATOM 540 CB ASN A 35 11.842 0.813 -3.442 1.00 0.00 C ATOM 541 CG ASN A 35 13.064 0.087 -2.909 1.00 0.00 C ATOM 542 OD1 ASN A 35 13.372 -1.028 -3.333 1.00 0.00 O ATOM 543 ND2 ASN A 35 13.763 0.711 -1.966 1.00 0.00 N ATOM 0 HA ASN A 35 10.636 -0.511 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.974 1.017 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.744 1.777 -2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.589 0.267 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.473 1.634 -1.643 1.00 0.00 H new ATOM 550 N TRP A 36 8.769 1.102 -4.444 1.00 0.00 N ATOM 551 CA TRP A 36 7.592 1.946 -4.627 1.00 0.00 C ATOM 552 C TRP A 36 6.539 1.138 -5.374 1.00 0.00 C ATOM 553 O TRP A 36 6.745 0.746 -6.523 1.00 0.00 O ATOM 554 CB TRP A 36 7.943 3.219 -5.400 1.00 0.00 C ATOM 555 CG TRP A 36 8.920 4.101 -4.688 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.728 4.772 -3.512 1.00 0.00 C ATOM 557 CD2 TRP A 36 10.243 4.414 -5.119 1.00 0.00 C ATOM 558 NE1 TRP A 36 9.860 5.482 -3.187 1.00 0.00 N ATOM 559 CE2 TRP A 36 10.804 5.277 -4.159 1.00 0.00 C ATOM 560 CE3 TRP A 36 11.007 4.045 -6.225 1.00 0.00 C ATOM 561 CZ2 TRP A 36 12.099 5.776 -4.276 1.00 0.00 C ATOM 562 CZ3 TRP A 36 12.290 4.539 -6.342 1.00 0.00 C ATOM 563 CH2 TRP A 36 12.826 5.397 -5.373 1.00 0.00 C ATOM 0 H TRP A 36 9.094 0.652 -5.300 1.00 0.00 H new ATOM 0 HA TRP A 36 7.208 2.255 -3.655 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.355 2.943 -6.370 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.029 3.782 -5.591 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.822 4.748 -2.925 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.978 6.065 -2.359 1.00 0.00 H new ATOM 0 HE3 TRP A 36 10.602 3.384 -6.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 12.514 6.437 -3.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 12.891 4.260 -7.195 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.833 5.767 -5.494 1.00 0.00 H new ATOM 574 N TYR A 37 5.469 0.783 -4.674 1.00 0.00 N ATOM 575 CA TYR A 37 4.431 -0.073 -5.249 1.00 0.00 C ATOM 576 C TYR A 37 3.151 0.693 -5.587 1.00 0.00 C ATOM 577 O TYR A 37 2.890 1.760 -5.033 1.00 0.00 O ATOM 578 CB TYR A 37 4.113 -1.235 -4.298 1.00 0.00 C ATOM 579 CG TYR A 37 3.489 -0.808 -2.987 1.00 0.00 C ATOM 580 CD1 TYR A 37 4.210 -0.076 -2.053 1.00 0.00 C ATOM 581 CD2 TYR A 37 2.168 -1.119 -2.694 1.00 0.00 C ATOM 582 CE1 TYR A 37 3.627 0.337 -0.873 1.00 0.00 C ATOM 583 CE2 TYR A 37 1.585 -0.716 -1.509 1.00 0.00 C ATOM 584 CZ TYR A 37 2.316 0.014 -0.604 1.00 0.00 C ATOM 585 OH TYR A 37 1.723 0.444 0.565 1.00 0.00 O ATOM 0 H TYR A 37 5.295 1.071 -3.711 1.00 0.00 H new ATOM 0 HA TYR A 37 4.827 -0.462 -6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.438 -1.927 -4.801 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.033 -1.782 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.242 0.173 -2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.586 -1.686 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.199 0.913 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.558 -0.974 -1.295 1.00 0.00 H new ATOM 0 HH TYR A 37 2.342 1.029 1.050 1.00 0.00 H new ATOM 595 N ARG A 38 2.407 0.190 -6.572 1.00 0.00 N ATOM 596 CA ARG A 38 1.166 0.829 -7.001 1.00 0.00 C ATOM 597 C ARG A 38 0.038 0.140 -6.240 1.00 0.00 C ATOM 598 O ARG A 38 -0.259 -1.031 -6.477 1.00 0.00 O ATOM 599 CB ARG A 38 0.974 0.704 -8.516 1.00 0.00 C ATOM 600 CG ARG A 38 0.098 1.795 -9.116 1.00 0.00 C ATOM 601 CD ARG A 38 0.816 2.536 -10.234 1.00 0.00 C ATOM 602 NE ARG A 38 0.247 3.862 -10.472 1.00 0.00 N ATOM 603 CZ ARG A 38 -0.130 4.315 -11.671 1.00 0.00 C ATOM 604 NH1 ARG A 38 -0.019 3.550 -12.751 1.00 0.00 N ATOM 605 NH2 ARG A 38 -0.618 5.541 -11.788 1.00 0.00 N ATOM 0 H ARG A 38 2.643 -0.658 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 38 1.183 1.897 -6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.950 0.728 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.532 -0.267 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.821 1.354 -9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.190 2.501 -8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.872 2.635 -9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.761 1.949 -11.151 1.00 0.00 H new ATOM 0 HE ARG A 38 0.130 4.482 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.357 2.605 -12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.310 3.907 -13.661 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.705 6.136 -10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.907 5.890 -12.702 1.00 0.00 H new ATOM 619 N ALA A 39 -0.578 0.869 -5.314 1.00 0.00 N ATOM 620 CA ALA A 39 -1.661 0.317 -4.504 1.00 0.00 C ATOM 621 C ALA A 39 -2.992 0.991 -4.795 1.00 0.00 C ATOM 622 O ALA A 39 -3.064 1.976 -5.529 1.00 0.00 O ATOM 623 CB ALA A 39 -1.335 0.428 -3.034 1.00 0.00 C ATOM 0 H ALA A 39 -0.347 1.840 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.757 -0.735 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.154 0.012 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.419 -0.124 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.196 1.476 -2.770 1.00 0.00 H new ATOM 629 N GLU A 40 -4.046 0.430 -4.213 1.00 0.00 N ATOM 630 CA GLU A 40 -5.389 0.958 -4.411 1.00 0.00 C ATOM 631 C GLU A 40 -6.150 1.077 -3.092 1.00 0.00 C ATOM 632 O GLU A 40 -5.846 0.388 -2.116 1.00 0.00 O ATOM 633 CB GLU A 40 -6.148 0.057 -5.379 1.00 0.00 C ATOM 634 CG GLU A 40 -5.638 0.147 -6.807 1.00 0.00 C ATOM 635 CD GLU A 40 -5.305 -1.211 -7.397 1.00 0.00 C ATOM 636 OE1 GLU A 40 -6.229 -1.878 -7.909 1.00 0.00 O ATOM 637 OE2 GLU A 40 -4.122 -1.609 -7.344 1.00 0.00 O ATOM 0 H GLU A 40 -3.996 -0.386 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.304 1.961 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.073 -0.976 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.205 0.323 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.391 0.633 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.749 0.777 -6.832 1.00 0.00 H new ATOM 644 N LEU A 41 -7.097 2.011 -3.056 1.00 0.00 N ATOM 645 CA LEU A 41 -7.887 2.255 -1.855 1.00 0.00 C ATOM 646 C LEU A 41 -9.166 3.018 -2.204 1.00 0.00 C ATOM 647 O LEU A 41 -9.164 3.884 -3.075 1.00 0.00 O ATOM 648 CB LEU A 41 -7.030 2.977 -0.795 1.00 0.00 C ATOM 649 CG LEU A 41 -7.272 4.477 -0.552 1.00 0.00 C ATOM 650 CD1 LEU A 41 -7.199 5.279 -1.845 1.00 0.00 C ATOM 651 CD2 LEU A 41 -8.594 4.707 0.165 1.00 0.00 C ATOM 0 H LEU A 41 -7.335 2.611 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.198 1.304 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.172 2.460 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.984 2.851 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.471 4.836 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.375 6.333 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.212 5.160 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.957 4.919 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.740 5.775 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.410 4.315 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.580 4.195 1.127 1.00 0.00 H new ATOM 663 N ASP A 42 -10.265 2.670 -1.537 1.00 0.00 N ATOM 664 CA ASP A 42 -11.566 3.293 -1.774 1.00 0.00 C ATOM 665 C ASP A 42 -11.893 3.397 -3.267 1.00 0.00 C ATOM 666 O ASP A 42 -12.558 2.522 -3.821 1.00 0.00 O ATOM 667 CB ASP A 42 -11.627 4.672 -1.120 1.00 0.00 C ATOM 668 CG ASP A 42 -12.024 4.591 0.342 1.00 0.00 C ATOM 669 OD1 ASP A 42 -13.105 4.037 0.632 1.00 0.00 O ATOM 670 OD2 ASP A 42 -11.252 5.076 1.196 1.00 0.00 O ATOM 0 H ASP A 42 -10.279 1.948 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.319 2.649 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.655 5.157 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.342 5.296 -1.656 1.00 0.00 H new ATOM 675 N GLY A 43 -11.438 4.469 -3.912 1.00 0.00 N ATOM 676 CA GLY A 43 -11.715 4.648 -5.328 1.00 0.00 C ATOM 677 C GLY A 43 -10.572 5.309 -6.075 1.00 0.00 C ATOM 678 O GLY A 43 -10.789 5.912 -7.127 1.00 0.00 O ATOM 0 H GLY A 43 -10.886 5.212 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.923 3.677 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.615 5.252 -5.443 1.00 0.00 H new ATOM 682 N LYS A 44 -9.374 5.284 -5.502 1.00 0.00 N ATOM 683 CA LYS A 44 -8.229 5.951 -6.115 1.00 0.00 C ATOM 684 C LYS A 44 -6.987 5.064 -6.101 1.00 0.00 C ATOM 685 O LYS A 44 -6.679 4.424 -5.096 1.00 0.00 O ATOM 686 CB LYS A 44 -7.912 7.225 -5.334 1.00 0.00 C ATOM 687 CG LYS A 44 -9.023 8.259 -5.383 1.00 0.00 C ATOM 688 CD LYS A 44 -8.972 9.068 -6.670 1.00 0.00 C ATOM 689 CE LYS A 44 -10.366 9.421 -7.165 1.00 0.00 C ATOM 690 NZ LYS A 44 -10.471 10.854 -7.565 1.00 0.00 N ATOM 0 H LYS A 44 -9.170 4.813 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.490 6.175 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.715 6.964 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.998 7.667 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.989 7.761 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.937 8.928 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.402 9.982 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.446 8.500 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.620 8.788 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.093 9.209 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.437 11.052 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.254 11.459 -6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.795 11.051 -8.331 1.00 0.00 H new ATOM 704 N GLU A 45 -6.238 5.091 -7.201 1.00 0.00 N ATOM 705 CA GLU A 45 -4.989 4.345 -7.303 1.00 0.00 C ATOM 706 C GLU A 45 -3.822 5.288 -7.004 1.00 0.00 C ATOM 707 O GLU A 45 -3.925 6.485 -7.281 1.00 0.00 O ATOM 708 CB GLU A 45 -4.836 3.740 -8.701 1.00 0.00 C ATOM 709 CG GLU A 45 -4.979 4.755 -9.825 1.00 0.00 C ATOM 710 CD GLU A 45 -6.281 4.603 -10.588 1.00 0.00 C ATOM 711 OE1 GLU A 45 -7.354 4.789 -9.976 1.00 0.00 O ATOM 712 OE2 GLU A 45 -6.227 4.302 -11.799 1.00 0.00 O ATOM 0 H GLU A 45 -6.477 5.624 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.996 3.528 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.859 3.263 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.583 2.958 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.921 5.761 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.143 4.646 -10.516 1.00 0.00 H new ATOM 719 N GLY A 46 -2.721 4.794 -6.434 1.00 0.00 N ATOM 720 CA GLY A 46 -1.620 5.703 -6.145 1.00 0.00 C ATOM 721 C GLY A 46 -0.367 5.061 -5.566 1.00 0.00 C ATOM 722 O GLY A 46 -0.449 4.115 -4.778 1.00 0.00 O ATOM 0 H GLY A 46 -2.573 3.818 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.349 6.220 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.973 6.461 -5.446 1.00 0.00 H new ATOM 726 N LEU A 47 0.797 5.597 -5.942 1.00 0.00 N ATOM 727 CA LEU A 47 2.091 5.097 -5.481 1.00 0.00 C ATOM 728 C LEU A 47 2.323 5.359 -3.992 1.00 0.00 C ATOM 729 O LEU A 47 1.878 6.373 -3.459 1.00 0.00 O ATOM 730 CB LEU A 47 3.209 5.767 -6.287 1.00 0.00 C ATOM 731 CG LEU A 47 4.255 4.819 -6.879 1.00 0.00 C ATOM 732 CD1 LEU A 47 4.764 3.855 -5.826 1.00 0.00 C ATOM 733 CD2 LEU A 47 3.680 4.054 -8.059 1.00 0.00 C ATOM 0 H LEU A 47 0.867 6.392 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 47 2.096 4.017 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.757 6.334 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.718 6.484 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 47 5.093 5.420 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.506 3.191 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.220 4.415 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.933 3.264 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.440 3.386 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.821 3.469 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.366 4.757 -8.830 1.00 0.00 H new ATOM 745 N ILE A 48 3.040 4.446 -3.337 1.00 0.00 N ATOM 746 CA ILE A 48 3.354 4.571 -1.917 1.00 0.00 C ATOM 747 C ILE A 48 4.617 3.774 -1.545 1.00 0.00 C ATOM 748 O ILE A 48 5.111 2.977 -2.350 1.00 0.00 O ATOM 749 CB ILE A 48 2.166 4.087 -1.062 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.508 2.872 -1.719 1.00 0.00 C ATOM 751 CG2 ILE A 48 1.159 5.216 -0.865 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.171 2.505 -1.122 1.00 0.00 C ATOM 0 H ILE A 48 3.417 3.605 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 48 3.544 5.625 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 48 2.533 3.789 -0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.378 3.072 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.179 2.017 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.326 4.859 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.643 6.051 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.787 5.545 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.232 1.635 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.296 2.272 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.518 3.343 -1.230 1.00 0.00 H new ATOM 764 N PRO A 49 5.074 3.874 -0.272 1.00 0.00 N ATOM 765 CA PRO A 49 6.248 3.137 0.219 1.00 0.00 C ATOM 766 C PRO A 49 5.968 1.696 0.625 1.00 0.00 C ATOM 767 O PRO A 49 5.131 1.423 1.477 1.00 0.00 O ATOM 768 CB PRO A 49 6.677 3.966 1.425 1.00 0.00 C ATOM 769 CG PRO A 49 5.413 4.541 1.963 1.00 0.00 C ATOM 770 CD PRO A 49 4.472 4.704 0.795 1.00 0.00 C ATOM 0 HA PRO A 49 7.003 3.031 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.179 3.349 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.377 4.750 1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.981 3.884 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.600 5.501 2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.466 4.366 1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.391 5.748 0.491 1.00 0.00 H new ATOM 778 N SER A 50 6.615 0.776 -0.070 1.00 0.00 N ATOM 779 CA SER A 50 6.411 -0.640 0.220 1.00 0.00 C ATOM 780 C SER A 50 6.866 -0.948 1.654 1.00 0.00 C ATOM 781 O SER A 50 6.529 -1.988 2.218 1.00 0.00 O ATOM 782 CB SER A 50 7.160 -1.516 -0.793 1.00 0.00 C ATOM 783 OG SER A 50 6.312 -2.511 -1.345 1.00 0.00 O ATOM 0 H SER A 50 7.273 0.973 -0.824 1.00 0.00 H new ATOM 0 HA SER A 50 5.349 -0.868 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.558 -0.891 -1.592 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.011 -1.991 -0.306 1.00 0.00 H new ATOM 0 HG SER A 50 5.496 -2.091 -1.689 1.00 0.00 H new ATOM 789 N ASN A 51 7.660 -0.040 2.221 1.00 0.00 N ATOM 790 CA ASN A 51 8.209 -0.210 3.568 1.00 0.00 C ATOM 791 C ASN A 51 7.195 -0.007 4.709 1.00 0.00 C ATOM 792 O ASN A 51 7.463 -0.416 5.838 1.00 0.00 O ATOM 793 CB ASN A 51 9.365 0.771 3.751 1.00 0.00 C ATOM 794 CG ASN A 51 10.332 0.332 4.830 1.00 0.00 C ATOM 795 OD1 ASN A 51 10.032 0.417 6.022 1.00 0.00 O ATOM 796 ND2 ASN A 51 11.501 -0.140 4.417 1.00 0.00 N ATOM 0 H ASN A 51 7.940 0.828 1.765 1.00 0.00 H new ATOM 0 HA ASN A 51 8.532 -1.249 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.901 0.876 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.967 1.754 4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.195 -0.451 5.097 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.706 -0.192 3.419 1.00 0.00 H new ATOM 803 N TYR A 52 6.026 0.578 4.440 1.00 0.00 N ATOM 804 CA TYR A 52 5.028 0.752 5.508 1.00 0.00 C ATOM 805 C TYR A 52 3.976 -0.363 5.448 1.00 0.00 C ATOM 806 O TYR A 52 3.027 -0.417 6.259 1.00 0.00 O ATOM 807 CB TYR A 52 4.397 2.153 5.451 1.00 0.00 C ATOM 808 CG TYR A 52 3.187 2.306 4.559 1.00 0.00 C ATOM 809 CD1 TYR A 52 3.335 2.406 3.192 1.00 0.00 C ATOM 810 CD2 TYR A 52 1.907 2.397 5.088 1.00 0.00 C ATOM 811 CE1 TYR A 52 2.249 2.581 2.363 1.00 0.00 C ATOM 812 CE2 TYR A 52 0.810 2.582 4.266 1.00 0.00 C ATOM 813 CZ TYR A 52 0.988 2.673 2.902 1.00 0.00 C ATOM 814 OH TYR A 52 -0.094 2.868 2.078 1.00 0.00 O ATOM 0 H TYR A 52 5.748 0.931 3.524 1.00 0.00 H new ATOM 0 HA TYR A 52 5.531 0.672 6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.115 2.443 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.159 2.858 5.118 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.324 2.346 2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.766 2.322 6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.388 2.646 1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.180 2.655 4.690 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.634 3.612 2.418 1.00 0.00 H new ATOM 824 N ILE A 53 4.248 -1.326 4.563 1.00 0.00 N ATOM 825 CA ILE A 53 3.405 -2.495 4.350 1.00 0.00 C ATOM 826 C ILE A 53 4.224 -3.773 4.260 1.00 0.00 C ATOM 827 O ILE A 53 5.405 -3.753 3.911 1.00 0.00 O ATOM 828 CB ILE A 53 2.640 -2.318 3.003 1.00 0.00 C ATOM 829 CG1 ILE A 53 1.980 -3.593 2.492 1.00 0.00 C ATOM 830 CG2 ILE A 53 3.560 -1.758 1.932 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.544 -3.353 2.099 1.00 0.00 C ATOM 0 H ILE A 53 5.075 -1.310 3.967 1.00 0.00 H new ATOM 0 HA ILE A 53 2.723 -2.577 5.196 1.00 0.00 H new ATOM 0 HB ILE A 53 1.836 -1.613 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.535 -3.972 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.023 -4.361 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.006 -1.642 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.941 -0.788 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.394 -2.442 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.105 -4.284 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.016 -2.998 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.503 -2.603 1.309 1.00 0.00 H new ATOM 843 N GLU A 54 3.565 -4.887 4.566 1.00 0.00 N ATOM 844 CA GLU A 54 4.155 -6.211 4.528 1.00 0.00 C ATOM 845 C GLU A 54 3.127 -7.225 4.024 1.00 0.00 C ATOM 846 O GLU A 54 1.933 -7.085 4.302 1.00 0.00 O ATOM 847 CB GLU A 54 4.606 -6.635 5.925 1.00 0.00 C ATOM 848 CG GLU A 54 5.849 -5.903 6.403 1.00 0.00 C ATOM 849 CD GLU A 54 6.560 -6.629 7.526 1.00 0.00 C ATOM 850 OE1 GLU A 54 6.178 -6.425 8.698 1.00 0.00 O ATOM 851 OE2 GLU A 54 7.499 -7.399 7.235 1.00 0.00 O ATOM 0 H GLU A 54 2.586 -4.889 4.853 1.00 0.00 H new ATOM 0 HA GLU A 54 5.014 -6.181 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.794 -6.458 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.801 -7.707 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.535 -5.777 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.570 -4.905 6.740 1.00 0.00 H new ATOM 858 N MET A 55 3.573 -8.263 3.327 1.00 0.00 N ATOM 859 CA MET A 55 2.651 -9.277 2.804 1.00 0.00 C ATOM 860 C MET A 55 2.115 -10.219 3.883 1.00 0.00 C ATOM 861 O MET A 55 2.892 -10.837 4.611 1.00 0.00 O ATOM 862 CB MET A 55 3.329 -10.109 1.712 1.00 0.00 C ATOM 863 CG MET A 55 4.381 -9.353 0.912 1.00 0.00 C ATOM 864 SD MET A 55 4.093 -9.426 -0.864 1.00 0.00 S ATOM 865 CE MET A 55 5.547 -8.581 -1.476 1.00 0.00 C ATOM 0 H MET A 55 4.556 -8.429 3.110 1.00 0.00 H new ATOM 0 HA MET A 55 1.804 -8.727 2.394 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.796 -10.980 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.566 -10.480 1.028 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.394 -8.311 1.231 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.365 -9.766 1.133 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.515 -8.545 -2.565 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.572 -7.566 -1.080 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.441 -9.117 -1.157 1.00 0.00 H new ATOM 875 N LYS A 56 0.797 -10.403 3.923 1.00 0.00 N ATOM 876 CA LYS A 56 0.170 -11.348 4.844 1.00 0.00 C ATOM 877 C LYS A 56 0.332 -12.756 4.284 1.00 0.00 C ATOM 878 O LYS A 56 -0.159 -13.070 3.200 1.00 0.00 O ATOM 879 CB LYS A 56 -1.307 -11.001 5.050 1.00 0.00 C ATOM 880 CG LYS A 56 -2.001 -11.896 6.069 1.00 0.00 C ATOM 881 CD LYS A 56 -3.316 -11.295 6.540 1.00 0.00 C ATOM 882 CE LYS A 56 -4.371 -11.330 5.443 1.00 0.00 C ATOM 883 NZ LYS A 56 -5.670 -11.866 5.936 1.00 0.00 N ATOM 0 H LYS A 56 0.139 -9.906 3.323 1.00 0.00 H new ATOM 0 HA LYS A 56 0.655 -11.291 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.387 -9.963 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.827 -11.078 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.186 -12.875 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.344 -12.051 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.677 -11.843 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.153 -10.265 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.519 -10.324 5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.015 -11.945 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.360 -11.873 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.535 -12.835 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.023 -11.264 6.707 1.00 0.00 H new