USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 388 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 9 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.092) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.106 F(o=-0.83,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -57:sc= -0.252 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= -1.87 (180deg=-2.3) USER MOD Single : A 26 SER OG : rot 9:sc= -0.261! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.961 F(o=-2.4!,f=-0.96) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 71.675 32.357 -1.079 1.00 1.00 N ATOM 58 CA GLY A 5 70.473 32.319 -1.903 1.00 1.00 C ATOM 59 C GLY A 5 69.356 31.556 -1.200 1.00 1.00 C ATOM 60 O GLY A 5 69.613 30.643 -0.416 1.00 1.00 O ATOM 0 HA2 GLY A 5 70.144 33.335 -2.120 1.00 1.00 H new ATOM 0 HA3 GLY A 5 70.697 31.845 -2.859 1.00 1.00 H new ATOM 64 N ASP A 6 68.115 31.936 -1.488 1.00 1.00 N ATOM 65 CA ASP A 6 66.964 31.279 -0.878 1.00 1.00 C ATOM 66 C ASP A 6 67.118 29.762 -0.940 1.00 1.00 C ATOM 67 O ASP A 6 66.866 29.063 0.041 1.00 1.00 O ATOM 68 CB ASP A 6 65.681 31.694 -1.600 1.00 1.00 C ATOM 69 CG ASP A 6 64.730 32.374 -0.622 1.00 1.00 C ATOM 70 OD1 ASP A 6 64.459 31.791 0.414 1.00 1.00 O ATOM 71 OD2 ASP A 6 64.285 33.470 -0.925 1.00 1.00 O ATOM 0 H ASP A 6 67.881 32.689 -2.135 1.00 1.00 H new ATOM 0 HA ASP A 6 66.907 31.585 0.167 1.00 1.00 H new ATOM 0 HB2 ASP A 6 65.918 32.372 -2.420 1.00 1.00 H new ATOM 0 HB3 ASP A 6 65.201 30.819 -2.038 1.00 1.00 H new ATOM 76 N PHE A 7 67.534 29.262 -2.098 1.00 1.00 N ATOM 77 CA PHE A 7 67.718 27.827 -2.277 1.00 1.00 C ATOM 78 C PHE A 7 68.996 27.543 -3.058 1.00 1.00 C ATOM 79 O PHE A 7 69.135 27.953 -4.212 1.00 1.00 O ATOM 80 CB PHE A 7 66.520 27.235 -3.023 1.00 1.00 C ATOM 81 CG PHE A 7 66.533 27.711 -4.455 1.00 1.00 C ATOM 82 CD1 PHE A 7 66.149 29.022 -4.761 1.00 1.00 C ATOM 83 CD2 PHE A 7 66.929 26.841 -5.479 1.00 1.00 C ATOM 84 CE1 PHE A 7 66.161 29.464 -6.090 1.00 1.00 C ATOM 85 CE2 PHE A 7 66.940 27.282 -6.807 1.00 1.00 C ATOM 86 CZ PHE A 7 66.556 28.594 -7.112 1.00 1.00 C ATOM 0 H PHE A 7 67.749 29.824 -2.921 1.00 1.00 H new ATOM 0 HA PHE A 7 67.797 27.365 -1.293 1.00 1.00 H new ATOM 0 HB2 PHE A 7 66.560 26.146 -2.990 1.00 1.00 H new ATOM 0 HB3 PHE A 7 65.591 27.535 -2.537 1.00 1.00 H new ATOM 0 HD1 PHE A 7 65.843 29.693 -3.972 1.00 1.00 H new ATOM 0 HD2 PHE A 7 67.226 25.830 -5.243 1.00 1.00 H new ATOM 0 HE1 PHE A 7 65.866 30.476 -6.326 1.00 1.00 H new ATOM 0 HE2 PHE A 7 67.244 26.611 -7.597 1.00 1.00 H new ATOM 0 HZ PHE A 7 66.565 28.934 -8.137 1.00 1.00 H new ATOM 96 N ASP A 8 69.929 26.840 -2.423 1.00 1.00 N ATOM 97 CA ASP A 8 71.192 26.508 -3.067 1.00 1.00 C ATOM 98 C ASP A 8 71.910 25.401 -2.300 1.00 1.00 C ATOM 99 O ASP A 8 71.374 24.852 -1.338 1.00 1.00 O ATOM 100 CB ASP A 8 72.083 27.747 -3.135 1.00 1.00 C ATOM 101 CG ASP A 8 72.145 28.267 -4.567 1.00 1.00 C ATOM 102 OD1 ASP A 8 72.551 27.511 -5.434 1.00 1.00 O ATOM 103 OD2 ASP A 8 71.785 29.414 -4.777 1.00 1.00 O ATOM 0 H ASP A 8 69.834 26.492 -1.469 1.00 1.00 H new ATOM 0 HA ASP A 8 70.983 26.156 -4.077 1.00 1.00 H new ATOM 0 HB2 ASP A 8 71.693 28.522 -2.475 1.00 1.00 H new ATOM 0 HB3 ASP A 8 73.086 27.504 -2.784 1.00 1.00 H new ATOM 108 N ASN A 9 73.126 25.082 -2.731 1.00 1.00 N ATOM 109 CA ASN A 9 73.911 24.041 -2.078 1.00 1.00 C ATOM 110 C ASN A 9 73.072 22.784 -1.867 1.00 1.00 C ATOM 111 O ASN A 9 73.470 21.877 -1.135 1.00 1.00 O ATOM 112 CB ASN A 9 74.425 24.548 -0.731 1.00 1.00 C ATOM 113 CG ASN A 9 75.711 23.820 -0.357 1.00 1.00 C ATOM 114 OD1 ASN A 9 76.806 24.307 -0.639 1.00 1.00 O ATOM 115 ND2 ASN A 9 75.645 22.674 0.265 1.00 1.00 N ATOM 0 H ASN A 9 73.587 25.526 -3.525 1.00 1.00 H new ATOM 0 HA ASN A 9 74.756 23.792 -2.720 1.00 1.00 H new ATOM 0 HB2 ASN A 9 74.607 25.622 -0.782 1.00 1.00 H new ATOM 0 HB3 ASN A 9 73.670 24.389 0.039 1.00 1.00 H new ATOM 0 HD21 ASN A 9 76.501 22.181 0.518 1.00 1.00 H new ATOM 0 HD22 ASN A 9 74.737 22.272 0.498 1.00 1.00 H new ATOM 122 N TYR A 10 71.913 22.736 -2.514 1.00 1.00 N ATOM 123 CA TYR A 10 71.027 21.583 -2.390 1.00 1.00 C ATOM 124 C TYR A 10 70.075 21.508 -3.580 1.00 1.00 C ATOM 125 O TYR A 10 69.791 20.426 -4.092 1.00 1.00 O ATOM 126 CB TYR A 10 70.219 21.680 -1.094 1.00 1.00 C ATOM 127 CG TYR A 10 71.160 21.656 0.088 1.00 1.00 C ATOM 128 CD1 TYR A 10 71.861 20.485 0.399 1.00 1.00 C ATOM 129 CD2 TYR A 10 71.332 22.804 0.871 1.00 1.00 C ATOM 130 CE1 TYR A 10 72.735 20.461 1.493 1.00 1.00 C ATOM 131 CE2 TYR A 10 72.206 22.780 1.965 1.00 1.00 C ATOM 132 CZ TYR A 10 72.907 21.609 2.276 1.00 1.00 C ATOM 133 OH TYR A 10 73.768 21.586 3.354 1.00 1.00 O ATOM 0 H TYR A 10 71.566 23.475 -3.125 1.00 1.00 H new ATOM 0 HA TYR A 10 71.638 20.681 -2.370 1.00 1.00 H new ATOM 0 HB2 TYR A 10 69.632 22.598 -1.087 1.00 1.00 H new ATOM 0 HB3 TYR A 10 69.515 20.851 -1.029 1.00 1.00 H new ATOM 0 HD1 TYR A 10 71.728 19.600 -0.205 1.00 1.00 H new ATOM 0 HD2 TYR A 10 70.791 23.707 0.631 1.00 1.00 H new ATOM 0 HE1 TYR A 10 73.276 19.558 1.733 1.00 1.00 H new ATOM 0 HE2 TYR A 10 72.339 23.665 2.569 1.00 1.00 H new ATOM 0 HH TYR A 10 73.771 22.464 3.789 1.00 1.00 H new ATOM 143 N TYR A 11 69.587 22.665 -4.014 1.00 1.00 N ATOM 144 CA TYR A 11 68.667 22.718 -5.145 1.00 1.00 C ATOM 145 C TYR A 11 67.483 21.785 -4.916 1.00 1.00 C ATOM 146 O TYR A 11 66.459 22.188 -4.364 1.00 1.00 O ATOM 147 CB TYR A 11 69.396 22.316 -6.429 1.00 1.00 C ATOM 148 CG TYR A 11 68.394 22.166 -7.550 1.00 1.00 C ATOM 149 CD1 TYR A 11 67.810 23.302 -8.124 1.00 1.00 C ATOM 150 CD2 TYR A 11 68.051 20.892 -8.016 1.00 1.00 C ATOM 151 CE1 TYR A 11 66.883 23.164 -9.162 1.00 1.00 C ATOM 152 CE2 TYR A 11 67.123 20.753 -9.055 1.00 1.00 C ATOM 153 CZ TYR A 11 66.539 21.889 -9.628 1.00 1.00 C ATOM 154 OH TYR A 11 65.625 21.751 -10.653 1.00 1.00 O ATOM 0 H TYR A 11 69.810 23.572 -3.604 1.00 1.00 H new ATOM 0 HA TYR A 11 68.297 23.739 -5.242 1.00 1.00 H new ATOM 0 HB2 TYR A 11 70.139 23.070 -6.689 1.00 1.00 H new ATOM 0 HB3 TYR A 11 69.932 21.379 -6.278 1.00 1.00 H new ATOM 0 HD1 TYR A 11 68.076 24.285 -7.765 1.00 1.00 H new ATOM 0 HD2 TYR A 11 68.502 20.016 -7.574 1.00 1.00 H new ATOM 0 HE1 TYR A 11 66.433 24.040 -9.604 1.00 1.00 H new ATOM 0 HE2 TYR A 11 66.858 19.770 -9.414 1.00 1.00 H new ATOM 0 HH TYR A 11 65.501 20.800 -10.855 1.00 1.00 H new ATOM 164 N GLY A 12 67.629 20.535 -5.344 1.00 1.00 N ATOM 165 CA GLY A 12 66.564 19.552 -5.181 1.00 1.00 C ATOM 166 C GLY A 12 66.321 19.254 -3.705 1.00 1.00 C ATOM 167 O GLY A 12 65.281 19.612 -3.153 1.00 1.00 O ATOM 0 H GLY A 12 68.468 20.181 -5.803 1.00 1.00 H new ATOM 0 HA2 GLY A 12 65.647 19.925 -5.637 1.00 1.00 H new ATOM 0 HA3 GLY A 12 66.829 18.633 -5.703 1.00 1.00 H new ATOM 171 N ALA A 13 67.287 18.596 -3.073 1.00 1.00 N ATOM 172 CA ALA A 13 67.167 18.255 -1.660 1.00 1.00 C ATOM 173 C ALA A 13 66.050 17.238 -1.447 1.00 1.00 C ATOM 174 O ALA A 13 65.332 17.291 -0.449 1.00 1.00 O ATOM 175 CB ALA A 13 66.876 19.515 -0.842 1.00 1.00 C ATOM 0 H ALA A 13 68.155 18.290 -3.512 1.00 1.00 H new ATOM 0 HA ALA A 13 68.109 17.817 -1.330 1.00 1.00 H new ATOM 0 HB1 ALA A 13 66.788 19.252 0.212 1.00 1.00 H new ATOM 0 HB2 ALA A 13 67.690 20.229 -0.971 1.00 1.00 H new ATOM 0 HB3 ALA A 13 65.943 19.963 -1.184 1.00 1.00 H new ATOM 181 N ASP A 14 65.910 16.313 -2.392 1.00 1.00 N ATOM 182 CA ASP A 14 64.878 15.289 -2.298 1.00 1.00 C ATOM 183 C ASP A 14 63.551 15.906 -1.869 1.00 1.00 C ATOM 184 O ASP A 14 62.652 15.206 -1.402 1.00 1.00 O ATOM 185 CB ASP A 14 65.297 14.218 -1.289 1.00 1.00 C ATOM 186 CG ASP A 14 64.792 14.585 0.102 1.00 1.00 C ATOM 187 OD1 ASP A 14 65.504 15.286 0.804 1.00 1.00 O ATOM 188 OD2 ASP A 14 63.701 14.160 0.447 1.00 1.00 O ATOM 0 H ASP A 14 66.494 16.252 -3.226 1.00 1.00 H new ATOM 0 HA ASP A 14 64.752 14.833 -3.280 1.00 1.00 H new ATOM 0 HB2 ASP A 14 64.895 13.249 -1.587 1.00 1.00 H new ATOM 0 HB3 ASP A 14 66.383 14.123 -1.277 1.00 1.00 H new ATOM 193 N ASN A 15 63.436 17.219 -2.032 1.00 1.00 N ATOM 194 CA ASN A 15 62.214 17.921 -1.659 1.00 1.00 C ATOM 195 C ASN A 15 61.187 17.846 -2.785 1.00 1.00 C ATOM 196 O ASN A 15 60.007 17.591 -2.545 1.00 1.00 O ATOM 197 CB ASN A 15 62.526 19.387 -1.349 1.00 1.00 C ATOM 198 CG ASN A 15 61.236 20.195 -1.293 1.00 1.00 C ATOM 199 OD1 ASN A 15 60.172 19.672 -0.746 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 61.195 21.334 -1.759 1.00 1.00 N flip ATOM 0 H ASN A 15 64.168 17.815 -2.417 1.00 1.00 H new ATOM 0 HA ASN A 15 61.800 17.442 -0.772 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.053 19.462 -0.398 1.00 1.00 H new ATOM 0 HB3 ASN A 15 63.188 19.796 -2.113 1.00 1.00 H new ATOM 0 HD21 ASN A 15 62.027 21.741 -2.186 1.00 1.00 H new ATOM 0 HD22 ASN A 15 60.329 21.871 -1.718 1.00 1.00 H new ATOM 207 N GLN A 16 61.645 18.068 -4.013 1.00 1.00 N ATOM 208 CA GLN A 16 60.757 18.022 -5.168 1.00 1.00 C ATOM 209 C GLN A 16 60.907 16.697 -5.907 1.00 1.00 C ATOM 210 O GLN A 16 60.941 16.662 -7.137 1.00 1.00 O ATOM 211 CB GLN A 16 61.077 19.179 -6.119 1.00 1.00 C ATOM 212 CG GLN A 16 61.089 20.494 -5.337 1.00 1.00 C ATOM 213 CD GLN A 16 60.208 21.524 -6.037 1.00 1.00 C ATOM 214 OE1 GLN A 16 60.509 21.941 -7.155 1.00 1.00 O ATOM 215 NE2 GLN A 16 59.133 21.961 -5.442 1.00 1.00 N ATOM 0 H GLN A 16 62.618 18.280 -4.233 1.00 1.00 H new ATOM 0 HA GLN A 16 59.729 18.114 -4.817 1.00 1.00 H new ATOM 0 HB2 GLN A 16 62.045 19.017 -6.593 1.00 1.00 H new ATOM 0 HB3 GLN A 16 60.335 19.224 -6.916 1.00 1.00 H new ATOM 0 HG2 GLN A 16 60.730 20.326 -4.321 1.00 1.00 H new ATOM 0 HG3 GLN A 16 62.109 20.870 -5.257 1.00 1.00 H new ATOM 0 HE21 GLN A 16 58.886 21.614 -4.515 1.00 1.00 H new ATOM 0 HE22 GLN A 16 58.539 22.650 -5.903 1.00 1.00 H new ATOM 224 N SER A 17 60.996 15.609 -5.149 1.00 1.00 N ATOM 225 CA SER A 17 61.143 14.285 -5.744 1.00 1.00 C ATOM 226 C SER A 17 60.279 13.268 -5.006 1.00 1.00 C ATOM 227 O SER A 17 60.377 13.124 -3.787 1.00 1.00 O ATOM 228 CB SER A 17 62.607 13.848 -5.690 1.00 1.00 C ATOM 229 OG SER A 17 62.671 12.430 -5.632 1.00 1.00 O ATOM 0 H SER A 17 60.969 15.617 -4.129 1.00 1.00 H new ATOM 0 HA SER A 17 60.818 14.336 -6.783 1.00 1.00 H new ATOM 0 HB2 SER A 17 63.140 14.212 -6.568 1.00 1.00 H new ATOM 0 HB3 SER A 17 63.096 14.282 -4.818 1.00 1.00 H new ATOM 0 HG SER A 17 63.608 12.146 -5.599 1.00 1.00 H new ATOM 235 N GLU A 18 59.434 12.564 -5.752 1.00 1.00 N ATOM 236 CA GLU A 18 58.558 11.561 -5.158 1.00 1.00 C ATOM 237 C GLU A 18 57.973 12.071 -3.845 1.00 1.00 C ATOM 238 O GLU A 18 57.997 11.372 -2.831 1.00 1.00 O ATOM 239 CB GLU A 18 59.337 10.270 -4.905 1.00 1.00 C ATOM 240 CG GLU A 18 58.360 9.099 -4.777 1.00 1.00 C ATOM 241 CD GLU A 18 59.093 7.860 -4.274 1.00 1.00 C ATOM 242 OE1 GLU A 18 60.036 7.448 -4.928 1.00 1.00 O ATOM 243 OE2 GLU A 18 58.700 7.342 -3.242 1.00 1.00 O ATOM 0 H GLU A 18 59.337 12.668 -6.762 1.00 1.00 H new ATOM 0 HA GLU A 18 57.742 11.361 -5.853 1.00 1.00 H new ATOM 0 HB2 GLU A 18 60.034 10.088 -5.723 1.00 1.00 H new ATOM 0 HB3 GLU A 18 59.930 10.363 -3.995 1.00 1.00 H new ATOM 0 HG2 GLU A 18 57.555 9.360 -4.089 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.899 8.892 -5.743 1.00 1.00 H new ATOM 250 N CYS A 19 57.451 13.292 -3.869 1.00 1.00 N ATOM 251 CA CYS A 19 56.864 13.887 -2.675 1.00 1.00 C ATOM 252 C CYS A 19 55.347 13.726 -2.686 1.00 1.00 C ATOM 253 O CYS A 19 54.609 14.697 -2.519 1.00 1.00 O ATOM 254 CB CYS A 19 57.221 15.372 -2.600 1.00 1.00 C ATOM 255 SG CYS A 19 56.683 16.043 -1.007 1.00 1.00 S ATOM 0 H CYS A 19 57.422 13.886 -4.698 1.00 1.00 H new ATOM 0 HA CYS A 19 57.266 13.373 -1.802 1.00 1.00 H new ATOM 0 HB2 CYS A 19 58.296 15.505 -2.718 1.00 1.00 H new ATOM 0 HB3 CYS A 19 56.742 15.914 -3.415 1.00 1.00 H new ATOM 0 HG CYS A 19 55.407 15.844 -0.861 1.00 1.00 H new ATOM 261 N GLU A 20 54.888 12.494 -2.885 1.00 1.00 N ATOM 262 CA GLU A 20 53.457 12.219 -2.917 1.00 1.00 C ATOM 263 C GLU A 20 52.741 13.203 -3.837 1.00 1.00 C ATOM 264 O GLU A 20 51.646 13.673 -3.528 1.00 1.00 O ATOM 265 CB GLU A 20 52.873 12.322 -1.505 1.00 1.00 C ATOM 266 CG GLU A 20 53.529 11.275 -0.604 1.00 1.00 C ATOM 267 CD GLU A 20 54.159 11.952 0.608 1.00 1.00 C ATOM 268 OE1 GLU A 20 53.425 12.555 1.373 1.00 1.00 O ATOM 269 OE2 GLU A 20 55.367 11.857 0.756 1.00 1.00 O ATOM 0 H GLU A 20 55.482 11.677 -3.025 1.00 1.00 H new ATOM 0 HA GLU A 20 53.310 11.209 -3.299 1.00 1.00 H new ATOM 0 HB2 GLU A 20 53.042 13.321 -1.102 1.00 1.00 H new ATOM 0 HB3 GLU A 20 51.794 12.168 -1.534 1.00 1.00 H new ATOM 0 HG2 GLU A 20 52.786 10.546 -0.279 1.00 1.00 H new ATOM 0 HG3 GLU A 20 54.289 10.728 -1.162 1.00 1.00 H new ATOM 276 N TYR A 21 53.369 13.509 -4.968 1.00 1.00 N ATOM 277 CA TYR A 21 52.786 14.439 -5.930 1.00 1.00 C ATOM 278 C TYR A 21 52.245 13.687 -7.143 1.00 1.00 C ATOM 279 O TYR A 21 52.031 14.274 -8.204 1.00 1.00 O ATOM 280 CB TYR A 21 53.842 15.448 -6.385 1.00 1.00 C ATOM 281 CG TYR A 21 54.700 14.828 -7.461 1.00 1.00 C ATOM 282 CD1 TYR A 21 55.657 13.864 -7.124 1.00 1.00 C ATOM 283 CD2 TYR A 21 54.538 15.218 -8.796 1.00 1.00 C ATOM 284 CE1 TYR A 21 56.453 13.289 -8.122 1.00 1.00 C ATOM 285 CE2 TYR A 21 55.334 14.643 -9.794 1.00 1.00 C ATOM 286 CZ TYR A 21 56.291 13.679 -9.457 1.00 1.00 C ATOM 287 OH TYR A 21 57.076 13.112 -10.442 1.00 1.00 O ATOM 0 H TYR A 21 54.276 13.130 -5.240 1.00 1.00 H new ATOM 0 HA TYR A 21 51.963 14.965 -5.446 1.00 1.00 H new ATOM 0 HB2 TYR A 21 53.360 16.349 -6.764 1.00 1.00 H new ATOM 0 HB3 TYR A 21 54.461 15.749 -5.540 1.00 1.00 H new ATOM 0 HD1 TYR A 21 55.781 13.564 -6.094 1.00 1.00 H new ATOM 0 HD2 TYR A 21 53.799 15.962 -9.056 1.00 1.00 H new ATOM 0 HE1 TYR A 21 57.192 12.545 -7.862 1.00 1.00 H new ATOM 0 HE2 TYR A 21 55.210 14.943 -10.824 1.00 1.00 H new ATOM 0 HH TYR A 21 56.835 13.493 -11.312 1.00 1.00 H new ATOM 297 N THR A 22 52.028 12.386 -6.978 1.00 1.00 N ATOM 298 CA THR A 22 51.512 11.566 -8.069 1.00 1.00 C ATOM 299 C THR A 22 50.498 10.553 -7.546 1.00 1.00 C ATOM 300 O THR A 22 49.479 10.295 -8.186 1.00 1.00 O ATOM 301 CB THR A 22 52.663 10.828 -8.756 1.00 1.00 C ATOM 302 OG1 THR A 22 52.864 9.572 -8.124 1.00 1.00 O ATOM 303 CG2 THR A 22 53.941 11.662 -8.653 1.00 1.00 C ATOM 0 H THR A 22 52.199 11.881 -6.109 1.00 1.00 H new ATOM 0 HA THR A 22 51.018 12.220 -8.787 1.00 1.00 H new ATOM 0 HB THR A 22 52.417 10.671 -9.806 1.00 1.00 H new ATOM 0 HG1 THR A 22 53.600 9.098 -8.565 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.760 11.135 -9.143 1.00 1.00 H new ATOM 0 HG22 THR A 22 53.787 12.625 -9.139 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.188 11.821 -7.603 1.00 1.00 H new ATOM 311 N ASP A 23 50.784 9.983 -6.380 1.00 1.00 N ATOM 312 CA ASP A 23 49.888 8.999 -5.782 1.00 1.00 C ATOM 313 C ASP A 23 48.553 9.641 -5.417 1.00 1.00 C ATOM 314 O ASP A 23 47.521 9.334 -6.014 1.00 1.00 O ATOM 315 CB ASP A 23 50.529 8.402 -4.529 1.00 1.00 C ATOM 316 CG ASP A 23 49.518 7.528 -3.794 1.00 1.00 C ATOM 317 OD1 ASP A 23 48.644 6.988 -4.451 1.00 1.00 O ATOM 318 OD2 ASP A 23 49.633 7.412 -2.584 1.00 1.00 O ATOM 0 H ASP A 23 51.622 10.183 -5.834 1.00 1.00 H new ATOM 0 HA ASP A 23 49.710 8.208 -6.510 1.00 1.00 H new ATOM 0 HB2 ASP A 23 51.402 7.810 -4.804 1.00 1.00 H new ATOM 0 HB3 ASP A 23 50.878 9.200 -3.873 1.00 1.00 H new ATOM 323 N TRP A 24 48.582 10.532 -4.431 1.00 1.00 N ATOM 324 CA TRP A 24 47.368 11.211 -3.993 1.00 1.00 C ATOM 325 C TRP A 24 46.567 11.710 -5.191 1.00 1.00 C ATOM 326 O TRP A 24 45.338 11.636 -5.202 1.00 1.00 O ATOM 327 CB TRP A 24 47.727 12.393 -3.090 1.00 1.00 C ATOM 328 CG TRP A 24 48.263 13.510 -3.925 1.00 1.00 C ATOM 329 CD1 TRP A 24 49.335 13.421 -4.746 1.00 1.00 C ATOM 330 CD2 TRP A 24 47.775 14.879 -4.036 1.00 1.00 C ATOM 331 NE1 TRP A 24 49.537 14.648 -5.353 1.00 1.00 N ATOM 332 CE2 TRP A 24 48.600 15.579 -4.947 1.00 1.00 C ATOM 333 CE3 TRP A 24 46.708 15.575 -3.440 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.375 16.921 -5.257 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.478 16.925 -3.748 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.311 17.597 -4.656 1.00 1.00 C ATOM 0 H TRP A 24 49.426 10.799 -3.924 1.00 1.00 H new ATOM 0 HA TRP A 24 46.759 10.499 -3.436 1.00 1.00 H new ATOM 0 HB2 TRP A 24 46.847 12.725 -2.540 1.00 1.00 H new ATOM 0 HB3 TRP A 24 48.468 12.088 -2.351 1.00 1.00 H new ATOM 0 HD1 TRP A 24 49.935 12.537 -4.902 1.00 1.00 H new ATOM 0 HE1 TRP A 24 50.286 14.841 -6.018 1.00 1.00 H new ATOM 0 HE3 TRP A 24 46.061 15.067 -2.740 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 49.019 17.433 -5.957 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.656 17.449 -3.284 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.129 18.636 -4.890 1.00 1.00 H new ATOM 347 N LYS A 25 47.273 12.215 -6.199 1.00 1.00 N ATOM 348 CA LYS A 25 46.626 12.722 -7.397 1.00 1.00 C ATOM 349 C LYS A 25 45.360 13.494 -7.042 1.00 1.00 C ATOM 350 O LYS A 25 45.381 14.384 -6.192 1.00 1.00 O ATOM 351 CB LYS A 25 46.282 11.559 -8.329 1.00 1.00 C ATOM 352 CG LYS A 25 45.982 12.100 -9.729 1.00 1.00 C ATOM 353 CD LYS A 25 47.131 11.768 -10.691 1.00 1.00 C ATOM 354 CE LYS A 25 48.384 12.558 -10.300 1.00 1.00 C ATOM 355 NZ LYS A 25 48.052 14.009 -10.217 1.00 1.00 N ATOM 0 H LYS A 25 48.291 12.282 -6.207 1.00 1.00 H new ATOM 0 HA LYS A 25 47.313 13.401 -7.902 1.00 1.00 H new ATOM 0 HB2 LYS A 25 47.112 10.854 -8.370 1.00 1.00 H new ATOM 0 HB3 LYS A 25 45.419 11.014 -7.945 1.00 1.00 H new ATOM 0 HG2 LYS A 25 45.053 11.669 -10.101 1.00 1.00 H new ATOM 0 HG3 LYS A 25 45.837 13.179 -9.685 1.00 1.00 H new ATOM 0 HD2 LYS A 25 47.342 10.699 -10.664 1.00 1.00 H new ATOM 0 HD3 LYS A 25 46.842 12.011 -11.714 1.00 1.00 H new ATOM 0 HE2 LYS A 25 48.764 12.206 -9.341 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.173 12.396 -11.035 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 48.694 14.548 -10.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 47.070 14.159 -10.525 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 48.160 14.334 -9.235 1.00 1.00 H new ATOM 369 N SER A 26 44.257 13.147 -7.697 1.00 1.00 N ATOM 370 CA SER A 26 42.986 13.815 -7.441 1.00 1.00 C ATOM 371 C SER A 26 41.834 13.034 -8.065 1.00 1.00 C ATOM 372 O SER A 26 41.726 12.942 -9.289 1.00 1.00 O ATOM 373 CB SER A 26 43.014 15.231 -8.018 1.00 1.00 C ATOM 374 OG SER A 26 43.723 16.085 -7.130 1.00 1.00 O ATOM 0 H SER A 26 44.217 12.413 -8.404 1.00 1.00 H new ATOM 0 HA SER A 26 42.835 13.864 -6.363 1.00 1.00 H new ATOM 0 HB2 SER A 26 43.492 15.228 -8.997 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.998 15.598 -8.161 1.00 1.00 H new ATOM 0 HG SER A 26 44.145 15.548 -6.427 1.00 1.00 H new ATOM 380 N SER A 27 40.976 12.476 -7.220 1.00 1.00 N ATOM 381 CA SER A 27 39.835 11.707 -7.703 1.00 1.00 C ATOM 382 C SER A 27 38.944 12.579 -8.581 1.00 1.00 C ATOM 383 O SER A 27 37.969 12.100 -9.161 1.00 1.00 O ATOM 384 CB SER A 27 39.026 11.173 -6.521 1.00 1.00 C ATOM 385 OG SER A 27 39.766 10.147 -5.872 1.00 1.00 O ATOM 0 H SER A 27 41.047 12.540 -6.204 1.00 1.00 H new ATOM 0 HA SER A 27 40.205 10.869 -8.294 1.00 1.00 H new ATOM 0 HB2 SER A 27 38.808 11.979 -5.820 1.00 1.00 H new ATOM 0 HB3 SER A 27 38.068 10.784 -6.867 1.00 1.00 H new ATOM 0 HG SER A 27 39.251 9.803 -5.112 1.00 1.00 H new ATOM 391 N GLY A 28 39.287 13.861 -8.671 1.00 1.00 N ATOM 392 CA GLY A 28 38.514 14.797 -9.480 1.00 1.00 C ATOM 393 C GLY A 28 38.216 16.071 -8.697 1.00 1.00 C ATOM 394 O GLY A 28 37.158 16.678 -8.865 1.00 1.00 O ATOM 0 H GLY A 28 40.090 14.273 -8.197 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.066 15.043 -10.387 1.00 1.00 H new ATOM 0 HA3 GLY A 28 37.580 14.330 -9.792 1.00 1.00 H new ATOM 398 N ALA A 29 39.151 16.466 -7.839 1.00 1.00 N ATOM 399 CA ALA A 29 38.977 17.669 -7.031 1.00 1.00 C ATOM 400 C ALA A 29 38.081 17.380 -5.832 1.00 1.00 C ATOM 401 O ALA A 29 37.445 18.282 -5.288 1.00 1.00 O ATOM 402 CB ALA A 29 38.359 18.786 -7.876 1.00 1.00 C ATOM 0 H ALA A 29 40.032 15.975 -7.685 1.00 1.00 H new ATOM 0 HA ALA A 29 39.956 17.988 -6.673 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.234 19.679 -7.263 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.015 19.012 -8.716 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.387 18.464 -8.251 1.00 1.00 H new ATOM 408 N LEU A 30 38.039 16.115 -5.424 1.00 1.00 N ATOM 409 CA LEU A 30 37.218 15.715 -4.285 1.00 1.00 C ATOM 410 C LEU A 30 38.087 15.527 -3.046 1.00 1.00 C ATOM 411 O LEU A 30 37.676 14.888 -2.078 1.00 1.00 O ATOM 412 CB LEU A 30 36.486 14.405 -4.600 1.00 1.00 C ATOM 413 CG LEU A 30 35.171 14.696 -5.337 1.00 1.00 C ATOM 414 CD1 LEU A 30 34.171 15.384 -4.399 1.00 1.00 C ATOM 415 CD2 LEU A 30 35.450 15.606 -6.536 1.00 1.00 C ATOM 0 H LEU A 30 38.559 15.354 -5.861 1.00 1.00 H new ATOM 0 HA LEU A 30 36.487 16.500 -4.092 1.00 1.00 H new ATOM 0 HB2 LEU A 30 37.120 13.764 -5.212 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.282 13.863 -3.677 1.00 1.00 H new ATOM 0 HG LEU A 30 34.743 13.753 -5.678 1.00 1.00 H new ATOM 0 HD11 LEU A 30 33.245 15.583 -4.938 1.00 1.00 H new ATOM 0 HD12 LEU A 30 33.964 14.735 -3.548 1.00 1.00 H new ATOM 0 HD13 LEU A 30 34.593 16.324 -4.043 1.00 1.00 H new ATOM 0 HD21 LEU A 30 34.517 15.813 -7.060 1.00 1.00 H new ATOM 0 HD22 LEU A 30 35.887 16.542 -6.188 1.00 1.00 H new ATOM 0 HD23 LEU A 30 36.145 15.111 -7.214 1.00 1.00 H new ATOM 427 N ILE A 31 39.291 16.089 -3.084 1.00 1.00 N ATOM 428 CA ILE A 31 40.212 15.977 -1.959 1.00 1.00 C ATOM 429 C ILE A 31 39.865 16.966 -0.840 1.00 1.00 C ATOM 430 O ILE A 31 40.058 16.657 0.336 1.00 1.00 O ATOM 431 CB ILE A 31 41.650 16.210 -2.428 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.886 15.472 -3.749 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.621 15.677 -1.374 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.867 16.472 -4.907 1.00 1.00 C ATOM 0 H ILE A 31 39.650 16.623 -3.876 1.00 1.00 H new ATOM 0 HA ILE A 31 40.118 14.968 -1.557 1.00 1.00 H new ATOM 0 HB ILE A 31 41.814 17.278 -2.573 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.843 14.952 -3.720 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.116 14.715 -3.897 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.646 15.842 -1.707 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.457 16.199 -0.431 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.453 14.609 -1.232 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.035 15.945 -5.846 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.899 16.972 -4.940 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.653 17.213 -4.761 1.00 1.00 H new ATOM 446 N PRO A 32 39.363 18.138 -1.162 1.00 1.00 N ATOM 447 CA PRO A 32 39.003 19.155 -0.142 1.00 1.00 C ATOM 448 C PRO A 32 37.577 18.975 0.373 1.00 1.00 C ATOM 449 O PRO A 32 36.962 19.920 0.868 1.00 1.00 O ATOM 450 CB PRO A 32 39.153 20.473 -0.898 1.00 1.00 C ATOM 451 CG PRO A 32 38.899 20.149 -2.339 1.00 1.00 C ATOM 452 CD PRO A 32 39.081 18.635 -2.518 1.00 1.00 C ATOM 0 HA PRO A 32 39.628 19.091 0.749 1.00 1.00 H new ATOM 0 HB2 PRO A 32 38.443 21.216 -0.533 1.00 1.00 H new ATOM 0 HB3 PRO A 32 40.150 20.891 -0.761 1.00 1.00 H new ATOM 0 HG2 PRO A 32 37.891 20.449 -2.626 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.590 20.695 -2.981 1.00 1.00 H new ATOM 0 HD2 PRO A 32 38.185 18.173 -2.932 1.00 1.00 H new ATOM 0 HD3 PRO A 32 39.900 18.411 -3.202 1.00 1.00 H new ATOM 460 N ALA A 33 37.060 17.757 0.252 1.00 1.00 N ATOM 461 CA ALA A 33 35.706 17.465 0.707 1.00 1.00 C ATOM 462 C ALA A 33 35.664 16.125 1.436 1.00 1.00 C ATOM 463 O ALA A 33 34.916 15.955 2.400 1.00 1.00 O ATOM 464 CB ALA A 33 34.750 17.428 -0.486 1.00 1.00 C ATOM 0 H ALA A 33 37.553 16.962 -0.154 1.00 1.00 H new ATOM 0 HA ALA A 33 35.397 18.251 1.395 1.00 1.00 H new ATOM 0 HB1 ALA A 33 33.741 17.209 -0.137 1.00 1.00 H new ATOM 0 HB2 ALA A 33 34.758 18.395 -0.989 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.068 16.653 -1.184 1.00 1.00 H new ATOM 470 N ILE A 34 36.470 15.178 0.970 1.00 1.00 N ATOM 471 CA ILE A 34 36.517 13.857 1.586 1.00 1.00 C ATOM 472 C ILE A 34 37.585 13.810 2.674 1.00 1.00 C ATOM 473 O ILE A 34 37.291 13.515 3.833 1.00 1.00 O ATOM 474 CB ILE A 34 36.820 12.796 0.526 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.672 12.744 -0.484 1.00 1.00 C ATOM 476 CG2 ILE A 34 36.968 11.431 1.198 1.00 1.00 C ATOM 477 CD1 ILE A 34 36.095 11.916 -1.698 1.00 1.00 C ATOM 0 H ILE A 34 37.096 15.298 0.174 1.00 1.00 H new ATOM 0 HA ILE A 34 35.546 13.653 2.037 1.00 1.00 H new ATOM 0 HB ILE A 34 37.747 13.050 0.012 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.787 12.305 -0.022 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.402 13.753 -0.795 1.00 1.00 H new ATOM 0 HG21 ILE A 34 37.184 10.675 0.443 1.00 1.00 H new ATOM 0 HG22 ILE A 34 37.785 11.467 1.919 1.00 1.00 H new ATOM 0 HG23 ILE A 34 36.041 11.176 1.712 1.00 1.00 H new ATOM 0 HD11 ILE A 34 35.276 11.880 -2.417 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.967 12.374 -2.164 1.00 1.00 H new ATOM 0 HD13 ILE A 34 36.343 10.904 -1.379 1.00 1.00 H new ATOM 489 N TYR A 35 38.824 14.103 2.294 1.00 1.00 N ATOM 490 CA TYR A 35 39.928 14.089 3.247 1.00 1.00 C ATOM 491 C TYR A 35 39.724 15.158 4.317 1.00 1.00 C ATOM 492 O TYR A 35 40.379 15.139 5.359 1.00 1.00 O ATOM 493 CB TYR A 35 41.250 14.340 2.520 1.00 1.00 C ATOM 494 CG TYR A 35 42.388 14.274 3.508 1.00 1.00 C ATOM 495 CD1 TYR A 35 42.800 13.039 4.023 1.00 1.00 C ATOM 496 CD2 TYR A 35 43.033 15.451 3.913 1.00 1.00 C ATOM 497 CE1 TYR A 35 43.857 12.979 4.939 1.00 1.00 C ATOM 498 CE2 TYR A 35 44.089 15.391 4.829 1.00 1.00 C ATOM 499 CZ TYR A 35 44.500 14.155 5.343 1.00 1.00 C ATOM 500 OH TYR A 35 45.541 14.095 6.248 1.00 1.00 O ATOM 0 H TYR A 35 39.088 14.351 1.341 1.00 1.00 H new ATOM 0 HA TYR A 35 39.957 13.110 3.726 1.00 1.00 H new ATOM 0 HB2 TYR A 35 41.392 13.597 1.735 1.00 1.00 H new ATOM 0 HB3 TYR A 35 41.231 15.316 2.035 1.00 1.00 H new ATOM 0 HD1 TYR A 35 42.302 12.132 3.713 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.715 16.404 3.518 1.00 1.00 H new ATOM 0 HE1 TYR A 35 44.176 12.026 5.334 1.00 1.00 H new ATOM 0 HE2 TYR A 35 44.587 16.298 5.139 1.00 1.00 H new ATOM 0 HH TYR A 35 45.877 14.999 6.421 1.00 1.00 H new ATOM 510 N MET A 36 38.814 16.089 4.051 1.00 1.00 N ATOM 511 CA MET A 36 38.533 17.162 4.998 1.00 1.00 C ATOM 512 C MET A 36 37.446 16.739 5.981 1.00 1.00 C ATOM 513 O MET A 36 37.684 16.654 7.186 1.00 1.00 O ATOM 514 CB MET A 36 38.085 18.417 4.247 1.00 1.00 C ATOM 515 CG MET A 36 39.315 19.208 3.799 1.00 1.00 C ATOM 516 SD MET A 36 38.794 20.588 2.749 1.00 1.00 S ATOM 517 CE MET A 36 38.503 21.785 4.074 1.00 1.00 C ATOM 0 H MET A 36 38.262 16.123 3.194 1.00 1.00 H new ATOM 0 HA MET A 36 39.445 17.378 5.554 1.00 1.00 H new ATOM 0 HB2 MET A 36 37.482 18.141 3.382 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.457 19.034 4.890 1.00 1.00 H new ATOM 0 HG2 MET A 36 39.857 19.582 4.668 1.00 1.00 H new ATOM 0 HG3 MET A 36 39.999 18.559 3.252 1.00 1.00 H new ATOM 0 HE1 MET A 36 38.167 22.729 3.644 1.00 1.00 H new ATOM 0 HE2 MET A 36 37.738 21.401 4.749 1.00 1.00 H new ATOM 0 HE3 MET A 36 39.428 21.947 4.628 1.00 1.00 H new ATOM 527 N LEU A 37 36.252 16.475 5.460 1.00 1.00 N ATOM 528 CA LEU A 37 35.136 16.064 6.303 1.00 1.00 C ATOM 529 C LEU A 37 35.333 14.632 6.791 1.00 1.00 C ATOM 530 O LEU A 37 34.379 13.859 6.878 1.00 1.00 O ATOM 531 CB LEU A 37 33.825 16.162 5.521 1.00 1.00 C ATOM 532 CG LEU A 37 33.761 17.508 4.797 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.425 17.631 4.064 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.888 18.641 5.819 1.00 1.00 C ATOM 0 H LEU A 37 36.034 16.538 4.466 1.00 1.00 H new ATOM 0 HA LEU A 37 35.094 16.728 7.166 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.757 15.346 4.801 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.977 16.061 6.198 1.00 1.00 H new ATOM 0 HG LEU A 37 34.577 17.573 4.077 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.380 18.590 3.548 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.333 16.824 3.337 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.608 17.567 4.783 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.843 19.601 5.305 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.072 18.575 6.538 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.840 18.554 6.342 1.00 1.00 H new ATOM 546 N VAL A 38 36.577 14.286 7.108 1.00 1.00 N ATOM 547 CA VAL A 38 36.888 12.945 7.587 1.00 1.00 C ATOM 548 C VAL A 38 37.874 13.008 8.749 1.00 1.00 C ATOM 549 O VAL A 38 38.013 12.051 9.510 1.00 1.00 O ATOM 550 CB VAL A 38 37.484 12.110 6.453 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.162 10.868 7.034 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.369 11.681 5.497 1.00 1.00 C ATOM 0 H VAL A 38 37.380 14.911 7.042 1.00 1.00 H new ATOM 0 HA VAL A 38 35.965 12.479 7.933 1.00 1.00 H new ATOM 0 HB VAL A 38 38.220 12.705 5.912 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.587 10.273 6.225 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.956 11.172 7.716 1.00 1.00 H new ATOM 0 HG13 VAL A 38 37.427 10.272 7.575 1.00 1.00 H new ATOM 0 HG21 VAL A 38 36.792 11.086 4.688 1.00 1.00 H new ATOM 0 HG22 VAL A 38 35.634 11.086 6.039 1.00 1.00 H new ATOM 0 HG23 VAL A 38 35.885 12.565 5.082 1.00 1.00 H new ATOM 562 N PHE A 39 38.555 14.143 8.877 1.00 1.00 N ATOM 563 CA PHE A 39 39.527 14.323 9.949 1.00 1.00 C ATOM 564 C PHE A 39 38.952 15.211 11.050 1.00 1.00 C ATOM 565 O PHE A 39 38.930 14.831 12.220 1.00 1.00 O ATOM 566 CB PHE A 39 40.804 14.958 9.396 1.00 1.00 C ATOM 567 CG PHE A 39 41.474 15.771 10.479 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.752 15.185 11.720 1.00 1.00 C ATOM 569 CD2 PHE A 39 41.816 17.108 10.244 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.372 15.937 12.725 1.00 1.00 C ATOM 571 CE2 PHE A 39 42.436 17.859 11.249 1.00 1.00 C ATOM 572 CZ PHE A 39 42.714 17.273 12.491 1.00 1.00 C ATOM 0 H PHE A 39 38.453 14.946 8.256 1.00 1.00 H new ATOM 0 HA PHE A 39 39.760 13.345 10.370 1.00 1.00 H new ATOM 0 HB2 PHE A 39 41.481 14.183 9.037 1.00 1.00 H new ATOM 0 HB3 PHE A 39 40.566 15.594 8.544 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.488 14.154 11.902 1.00 1.00 H new ATOM 0 HD2 PHE A 39 41.601 17.560 9.287 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.587 15.485 13.682 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.700 18.890 11.067 1.00 1.00 H new ATOM 0 HZ PHE A 39 43.192 17.852 13.267 1.00 1.00 H new ATOM 582 N LEU A 40 38.490 16.395 10.664 1.00 1.00 N ATOM 583 CA LEU A 40 37.918 17.331 11.627 1.00 1.00 C ATOM 584 C LEU A 40 36.404 17.157 11.708 1.00 1.00 C ATOM 585 O LEU A 40 35.705 17.993 12.282 1.00 1.00 O ATOM 586 CB LEU A 40 38.246 18.768 11.217 1.00 1.00 C ATOM 587 CG LEU A 40 37.699 19.037 9.815 1.00 1.00 C ATOM 588 CD1 LEU A 40 36.653 20.150 9.880 1.00 1.00 C ATOM 589 CD2 LEU A 40 38.844 19.468 8.895 1.00 1.00 C ATOM 0 H LEU A 40 38.499 16.728 9.700 1.00 1.00 H new ATOM 0 HA LEU A 40 38.350 17.125 12.606 1.00 1.00 H new ATOM 0 HB2 LEU A 40 37.810 19.469 11.929 1.00 1.00 H new ATOM 0 HB3 LEU A 40 39.325 18.925 11.234 1.00 1.00 H new ATOM 0 HG LEU A 40 37.240 18.129 9.424 1.00 1.00 H new ATOM 0 HD11 LEU A 40 36.263 20.342 8.880 1.00 1.00 H new ATOM 0 HD12 LEU A 40 35.837 19.845 10.535 1.00 1.00 H new ATOM 0 HD13 LEU A 40 37.112 21.058 10.271 1.00 1.00 H new ATOM 0 HD21 LEU A 40 38.455 19.660 7.895 1.00 1.00 H new ATOM 0 HD22 LEU A 40 39.303 20.376 9.286 1.00 1.00 H new ATOM 0 HD23 LEU A 40 39.591 18.675 8.848 1.00 1.00 H new ATOM 601 N LEU A 41 35.904 16.069 11.132 1.00 1.00 N ATOM 602 CA LEU A 41 34.472 15.799 11.147 1.00 1.00 C ATOM 603 C LEU A 41 34.210 14.297 11.220 1.00 1.00 C ATOM 604 O LEU A 41 33.290 13.851 11.905 1.00 1.00 O ATOM 605 CB LEU A 41 33.819 16.373 9.887 1.00 1.00 C ATOM 606 CG LEU A 41 32.301 16.405 10.069 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.890 17.735 10.705 1.00 1.00 C ATOM 608 CD2 LEU A 41 31.622 16.264 8.704 1.00 1.00 C ATOM 0 H LEU A 41 36.465 15.365 10.652 1.00 1.00 H new ATOM 0 HA LEU A 41 34.041 16.274 12.028 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.194 17.378 9.696 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.079 15.765 9.020 1.00 1.00 H new ATOM 0 HG LEU A 41 31.996 15.583 10.716 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.808 17.757 10.835 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.374 17.839 11.676 1.00 1.00 H new ATOM 0 HD13 LEU A 41 32.195 18.557 10.058 1.00 1.00 H new ATOM 0 HD21 LEU A 41 30.540 16.287 8.832 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.928 17.087 8.058 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.914 15.318 8.248 1.00 1.00 H new ATOM 620 N GLY A 42 35.025 13.525 10.510 1.00 1.00 N ATOM 621 CA GLY A 42 34.873 12.074 10.500 1.00 1.00 C ATOM 622 C GLY A 42 34.626 11.543 11.908 1.00 1.00 C ATOM 623 O GLY A 42 33.897 10.569 12.096 1.00 1.00 O ATOM 0 H GLY A 42 35.793 13.876 9.937 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.042 11.796 9.851 1.00 1.00 H new ATOM 0 HA3 GLY A 42 35.770 11.613 10.085 1.00 1.00 H new ATOM 627 N THR A 43 35.238 12.189 12.894 1.00 1.00 N ATOM 628 CA THR A 43 35.077 11.773 14.283 1.00 1.00 C ATOM 629 C THR A 43 34.945 12.990 15.192 1.00 1.00 C ATOM 630 O THR A 43 34.191 12.973 16.164 1.00 1.00 O ATOM 631 CB THR A 43 36.281 10.936 14.721 1.00 1.00 C ATOM 632 OG1 THR A 43 35.983 10.285 15.948 1.00 1.00 O ATOM 633 CG2 THR A 43 37.499 11.845 14.905 1.00 1.00 C ATOM 0 H THR A 43 35.846 12.997 12.760 1.00 1.00 H new ATOM 0 HA THR A 43 34.170 11.173 14.361 1.00 1.00 H new ATOM 0 HB THR A 43 36.501 10.189 13.958 1.00 1.00 H new ATOM 0 HG1 THR A 43 36.753 9.747 16.229 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.355 11.247 15.217 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.728 12.342 13.962 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.282 12.594 15.667 1.00 1.00 H new ATOM 641 N THR A 44 35.681 14.047 14.864 1.00 1.00 N ATOM 642 CA THR A 44 35.638 15.271 15.655 1.00 1.00 C ATOM 643 C THR A 44 34.320 16.006 15.427 1.00 1.00 C ATOM 644 O THR A 44 33.997 16.957 16.139 1.00 1.00 O ATOM 645 CB THR A 44 36.807 16.180 15.271 1.00 1.00 C ATOM 646 OG1 THR A 44 38.012 15.651 15.809 1.00 1.00 O ATOM 647 CG2 THR A 44 36.571 17.584 15.826 1.00 1.00 C ATOM 0 H THR A 44 36.310 14.081 14.062 1.00 1.00 H new ATOM 0 HA THR A 44 35.716 15.007 16.710 1.00 1.00 H new ATOM 0 HB THR A 44 36.885 16.232 14.185 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.763 16.231 15.563 1.00 1.00 H new ATOM 0 HG21 THR A 44 37.405 18.229 15.551 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.648 17.989 15.412 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.491 17.537 16.912 1.00 1.00 H new ATOM 655 N GLY A 45 33.565 15.559 14.430 1.00 1.00 N ATOM 656 CA GLY A 45 32.284 16.180 14.115 1.00 1.00 C ATOM 657 C GLY A 45 31.201 15.717 15.084 1.00 1.00 C ATOM 658 O GLY A 45 30.010 15.876 14.821 1.00 1.00 O ATOM 0 H GLY A 45 33.816 14.774 13.829 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.380 17.265 14.162 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.995 15.930 13.094 1.00 1.00 H new ATOM 662 N ASN A 46 31.624 15.143 16.205 1.00 1.00 N ATOM 663 CA ASN A 46 30.682 14.659 17.207 1.00 1.00 C ATOM 664 C ASN A 46 31.368 14.508 18.560 1.00 1.00 C ATOM 665 O ASN A 46 32.345 13.771 18.693 1.00 1.00 O ATOM 666 CB ASN A 46 30.107 13.310 16.772 1.00 1.00 C ATOM 667 CG ASN A 46 30.203 12.308 17.917 1.00 1.00 C ATOM 668 OD1 ASN A 46 31.316 11.655 18.108 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 29.239 12.116 18.658 1.00 1.00 N flip ATOM 0 H ASN A 46 32.606 15.002 16.442 1.00 1.00 H new ATOM 0 HA ASN A 46 29.875 15.386 17.301 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.067 13.430 16.469 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.651 12.936 15.904 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.370 12.628 18.507 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.310 11.445 19.423 1.00 1.00 H new ATOM 676 N GLY A 47 30.850 15.212 19.562 1.00 1.00 N ATOM 677 CA GLY A 47 31.420 15.151 20.903 1.00 1.00 C ATOM 678 C GLY A 47 32.185 16.429 21.229 1.00 1.00 C ATOM 679 O GLY A 47 32.049 16.984 22.319 1.00 1.00 O ATOM 0 H GLY A 47 30.042 15.828 19.472 1.00 1.00 H new ATOM 0 HA2 GLY A 47 30.625 15.002 21.634 1.00 1.00 H new ATOM 0 HA3 GLY A 47 32.088 14.293 20.980 1.00 1.00 H new ATOM 683 N LEU A 48 32.989 16.890 20.274 1.00 1.00 N ATOM 684 CA LEU A 48 33.773 18.105 20.464 1.00 1.00 C ATOM 685 C LEU A 48 33.200 19.242 19.624 1.00 1.00 C ATOM 686 O LEU A 48 33.939 19.970 18.961 1.00 1.00 O ATOM 687 CB LEU A 48 35.239 17.871 20.067 1.00 1.00 C ATOM 688 CG LEU A 48 35.801 16.621 20.767 1.00 1.00 C ATOM 689 CD1 LEU A 48 35.541 16.708 22.272 1.00 1.00 C ATOM 690 CD2 LEU A 48 35.142 15.348 20.215 1.00 1.00 C ATOM 0 H LEU A 48 33.114 16.443 19.366 1.00 1.00 H new ATOM 0 HA LEU A 48 33.727 18.375 21.519 1.00 1.00 H new ATOM 0 HB2 LEU A 48 35.313 17.753 18.986 1.00 1.00 H new ATOM 0 HB3 LEU A 48 35.837 18.743 20.334 1.00 1.00 H new ATOM 0 HG LEU A 48 36.874 16.576 20.578 1.00 1.00 H new ATOM 0 HD11 LEU A 48 35.941 15.820 22.762 1.00 1.00 H new ATOM 0 HD12 LEU A 48 36.029 17.596 22.675 1.00 1.00 H new ATOM 0 HD13 LEU A 48 34.468 16.770 22.453 1.00 1.00 H new ATOM 0 HD21 LEU A 48 35.553 14.476 20.723 1.00 1.00 H new ATOM 0 HD22 LEU A 48 34.066 15.393 20.384 1.00 1.00 H new ATOM 0 HD23 LEU A 48 35.338 15.271 19.146 1.00 1.00 H new ATOM 702 N VAL A 49 31.879 19.387 19.659 1.00 1.00 N ATOM 703 CA VAL A 49 31.213 20.438 18.898 1.00 1.00 C ATOM 704 C VAL A 49 30.166 21.138 19.759 1.00 1.00 C ATOM 705 O VAL A 49 29.411 21.980 19.272 1.00 1.00 O ATOM 706 CB VAL A 49 30.543 19.843 17.659 1.00 1.00 C ATOM 707 CG1 VAL A 49 31.608 19.227 16.748 1.00 1.00 C ATOM 708 CG2 VAL A 49 29.552 18.759 18.088 1.00 1.00 C ATOM 0 H VAL A 49 31.252 18.794 20.203 1.00 1.00 H new ATOM 0 HA VAL A 49 31.962 21.168 18.589 1.00 1.00 H new ATOM 0 HB VAL A 49 30.014 20.629 17.120 1.00 1.00 H new ATOM 0 HG11 VAL A 49 31.130 18.803 15.865 1.00 1.00 H new ATOM 0 HG12 VAL A 49 32.316 19.998 16.443 1.00 1.00 H new ATOM 0 HG13 VAL A 49 32.137 18.441 17.287 1.00 1.00 H new ATOM 0 HG21 VAL A 49 29.073 18.334 17.206 1.00 1.00 H new ATOM 0 HG22 VAL A 49 30.082 17.974 18.627 1.00 1.00 H new ATOM 0 HG23 VAL A 49 28.793 19.196 18.737 1.00 1.00 H new ATOM 718 N LEU A 50 30.131 20.780 21.039 1.00 1.00 N ATOM 719 CA LEU A 50 29.174 21.376 21.968 1.00 1.00 C ATOM 720 C LEU A 50 29.885 21.855 23.230 1.00 1.00 C ATOM 721 O LEU A 50 29.265 22.440 24.118 1.00 1.00 O ATOM 722 CB LEU A 50 28.102 20.352 22.343 1.00 1.00 C ATOM 723 CG LEU A 50 27.342 19.923 21.087 1.00 1.00 C ATOM 724 CD1 LEU A 50 27.604 18.441 20.812 1.00 1.00 C ATOM 725 CD2 LEU A 50 25.842 20.142 21.300 1.00 1.00 C ATOM 0 H LEU A 50 30.750 20.084 21.456 1.00 1.00 H new ATOM 0 HA LEU A 50 28.704 22.230 21.480 1.00 1.00 H new ATOM 0 HB2 LEU A 50 28.563 19.485 22.816 1.00 1.00 H new ATOM 0 HB3 LEU A 50 27.412 20.782 23.069 1.00 1.00 H new ATOM 0 HG LEU A 50 27.681 20.516 20.238 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.062 18.136 19.917 1.00 1.00 H new ATOM 0 HD12 LEU A 50 28.672 18.282 20.662 1.00 1.00 H new ATOM 0 HD13 LEU A 50 27.265 17.848 21.661 1.00 1.00 H new ATOM 0 HD21 LEU A 50 25.299 19.837 20.406 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.505 19.548 22.150 1.00 1.00 H new ATOM 0 HD23 LEU A 50 25.653 21.197 21.497 1.00 1.00 H new ATOM 737 N TRP A 51 31.189 21.603 23.300 1.00 1.00 N ATOM 738 CA TRP A 51 31.980 22.010 24.457 1.00 1.00 C ATOM 739 C TRP A 51 32.882 23.187 24.101 1.00 1.00 C ATOM 740 O TRP A 51 33.140 24.058 24.933 1.00 1.00 O ATOM 741 CB TRP A 51 32.835 20.839 24.943 1.00 1.00 C ATOM 742 CG TRP A 51 34.214 21.326 25.254 1.00 1.00 C ATOM 743 CD1 TRP A 51 34.552 22.053 26.344 1.00 1.00 C ATOM 744 CD2 TRP A 51 35.441 21.137 24.491 1.00 1.00 C ATOM 745 NE1 TRP A 51 35.909 22.323 26.298 1.00 1.00 N ATOM 746 CE2 TRP A 51 36.500 21.779 25.176 1.00 1.00 C ATOM 747 CE3 TRP A 51 35.735 20.478 23.284 1.00 1.00 C ATOM 748 CZ2 TRP A 51 37.805 21.767 24.680 1.00 1.00 C ATOM 749 CZ3 TRP A 51 37.046 20.463 22.782 1.00 1.00 C ATOM 750 CH2 TRP A 51 38.079 21.107 23.479 1.00 1.00 C ATOM 0 H TRP A 51 31.718 21.121 22.573 1.00 1.00 H new ATOM 0 HA TRP A 51 31.298 22.316 25.251 1.00 1.00 H new ATOM 0 HB2 TRP A 51 32.387 20.391 25.830 1.00 1.00 H new ATOM 0 HB3 TRP A 51 32.875 20.062 24.179 1.00 1.00 H new ATOM 0 HD1 TRP A 51 33.874 22.371 27.122 1.00 1.00 H new ATOM 0 HE1 TRP A 51 36.411 22.858 27.007 1.00 1.00 H new ATOM 0 HE3 TRP A 51 34.947 19.980 22.739 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 38.597 22.264 25.220 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 37.260 19.953 21.854 1.00 1.00 H new ATOM 0 HH2 TRP A 51 39.086 21.093 23.088 1.00 1.00 H new ATOM 761 N THR A 52 33.359 23.207 22.861 1.00 1.00 N ATOM 762 CA THR A 52 34.234 24.282 22.405 1.00 1.00 C ATOM 763 C THR A 52 33.423 25.386 21.735 1.00 1.00 C ATOM 764 O THR A 52 33.920 26.491 21.523 1.00 1.00 O ATOM 765 CB THR A 52 35.265 23.732 21.417 1.00 1.00 C ATOM 766 OG1 THR A 52 36.403 24.583 21.401 1.00 1.00 O ATOM 767 CG2 THR A 52 34.652 23.667 20.018 1.00 1.00 C ATOM 0 H THR A 52 33.157 22.497 22.158 1.00 1.00 H new ATOM 0 HA THR A 52 34.747 24.699 23.271 1.00 1.00 H new ATOM 0 HB THR A 52 35.565 22.730 21.724 1.00 1.00 H new ATOM 0 HG1 THR A 52 37.065 24.232 20.770 1.00 1.00 H new ATOM 0 HG21 THR A 52 35.388 23.275 19.316 1.00 1.00 H new ATOM 0 HG22 THR A 52 33.780 23.013 20.033 1.00 1.00 H new ATOM 0 HG23 THR A 52 34.350 24.667 19.706 1.00 1.00 H new ATOM 775 N VAL A 53 32.173 25.078 21.402 1.00 1.00 N ATOM 776 CA VAL A 53 31.304 26.054 20.755 1.00 1.00 C ATOM 777 C VAL A 53 30.491 26.821 21.793 1.00 1.00 C ATOM 778 O VAL A 53 29.934 27.879 21.501 1.00 1.00 O ATOM 779 CB VAL A 53 30.357 25.345 19.786 1.00 1.00 C ATOM 780 CG1 VAL A 53 29.220 26.293 19.397 1.00 1.00 C ATOM 781 CG2 VAL A 53 31.128 24.935 18.530 1.00 1.00 C ATOM 0 H VAL A 53 31.742 24.168 21.568 1.00 1.00 H new ATOM 0 HA VAL A 53 31.927 26.760 20.206 1.00 1.00 H new ATOM 0 HB VAL A 53 29.943 24.458 20.266 1.00 1.00 H new ATOM 0 HG11 VAL A 53 28.545 25.788 18.706 1.00 1.00 H new ATOM 0 HG12 VAL A 53 28.670 26.588 20.291 1.00 1.00 H new ATOM 0 HG13 VAL A 53 29.634 27.180 18.916 1.00 1.00 H new ATOM 0 HG21 VAL A 53 30.454 24.429 17.838 1.00 1.00 H new ATOM 0 HG22 VAL A 53 31.541 25.823 18.051 1.00 1.00 H new ATOM 0 HG23 VAL A 53 31.939 24.260 18.805 1.00 1.00 H new ATOM 791 N PHE A 54 30.428 26.282 23.006 1.00 1.00 N ATOM 792 CA PHE A 54 29.681 26.925 24.080 1.00 1.00 C ATOM 793 C PHE A 54 30.551 27.951 24.797 1.00 1.00 C ATOM 794 O PHE A 54 30.070 28.707 25.642 1.00 1.00 O ATOM 795 CB PHE A 54 29.197 25.874 25.081 1.00 1.00 C ATOM 796 CG PHE A 54 27.923 25.242 24.572 1.00 1.00 C ATOM 797 CD1 PHE A 54 27.924 24.562 23.349 1.00 1.00 C ATOM 798 CD2 PHE A 54 26.744 25.334 25.321 1.00 1.00 C ATOM 799 CE1 PHE A 54 26.746 23.974 22.873 1.00 1.00 C ATOM 800 CE2 PHE A 54 25.566 24.746 24.846 1.00 1.00 C ATOM 801 CZ PHE A 54 25.566 24.067 23.623 1.00 1.00 C ATOM 0 H PHE A 54 30.882 25.407 23.269 1.00 1.00 H new ATOM 0 HA PHE A 54 28.821 27.435 23.645 1.00 1.00 H new ATOM 0 HB2 PHE A 54 29.963 25.111 25.222 1.00 1.00 H new ATOM 0 HB3 PHE A 54 29.023 26.335 26.053 1.00 1.00 H new ATOM 0 HD1 PHE A 54 28.834 24.491 22.772 1.00 1.00 H new ATOM 0 HD2 PHE A 54 26.743 25.859 26.265 1.00 1.00 H new ATOM 0 HE1 PHE A 54 26.747 23.449 21.929 1.00 1.00 H new ATOM 0 HE2 PHE A 54 24.656 24.817 25.424 1.00 1.00 H new ATOM 0 HZ PHE A 54 24.656 23.614 23.257 1.00 1.00 H new ATOM 811 N ARG A 55 31.835 27.972 24.453 1.00 1.00 N ATOM 812 CA ARG A 55 32.766 28.908 25.070 1.00 1.00 C ATOM 813 C ARG A 55 32.917 30.158 24.208 1.00 1.00 C ATOM 814 O ARG A 55 32.875 31.280 24.712 1.00 1.00 O ATOM 815 CB ARG A 55 34.135 28.247 25.254 1.00 1.00 C ATOM 816 CG ARG A 55 33.966 26.729 25.385 1.00 1.00 C ATOM 817 CD ARG A 55 33.001 26.417 26.530 1.00 1.00 C ATOM 818 NE ARG A 55 33.445 25.231 27.254 1.00 1.00 N ATOM 819 CZ ARG A 55 33.039 24.992 28.497 1.00 1.00 C ATOM 820 NH1 ARG A 55 32.226 25.824 29.089 1.00 1.00 N ATOM 821 NH2 ARG A 55 33.454 23.926 29.125 1.00 1.00 N ATOM 0 H ARG A 55 32.252 27.356 23.755 1.00 1.00 H new ATOM 0 HA ARG A 55 32.369 29.194 26.044 1.00 1.00 H new ATOM 0 HB2 ARG A 55 34.778 28.478 24.405 1.00 1.00 H new ATOM 0 HB3 ARG A 55 34.625 28.645 26.142 1.00 1.00 H new ATOM 0 HG2 ARG A 55 33.586 26.313 24.452 1.00 1.00 H new ATOM 0 HG3 ARG A 55 34.932 26.260 25.572 1.00 1.00 H new ATOM 0 HD2 ARG A 55 32.945 27.267 27.210 1.00 1.00 H new ATOM 0 HD3 ARG A 55 31.997 26.257 26.136 1.00 1.00 H new ATOM 0 HE ARG A 55 34.078 24.574 26.798 1.00 1.00 H new ATOM 0 HH11 ARG A 55 31.902 26.657 28.598 1.00 1.00 H new ATOM 0 HH12 ARG A 55 31.914 25.641 30.043 1.00 1.00 H new ATOM 0 HH21 ARG A 55 34.090 23.276 28.662 1.00 1.00 H new ATOM 0 HH22 ARG A 55 33.143 23.742 30.079 1.00 1.00 H new ATOM 835 N LYS A 56 33.092 29.954 22.906 1.00 1.00 N ATOM 836 CA LYS A 56 33.248 31.073 21.983 1.00 1.00 C ATOM 837 C LYS A 56 31.941 31.852 21.859 1.00 1.00 C ATOM 838 O LYS A 56 31.924 32.977 21.361 1.00 1.00 O ATOM 839 CB LYS A 56 33.670 30.558 20.605 1.00 1.00 C ATOM 840 CG LYS A 56 32.552 29.694 20.018 1.00 1.00 C ATOM 841 CD LYS A 56 31.864 30.448 18.877 1.00 1.00 C ATOM 842 CE LYS A 56 32.792 30.496 17.661 1.00 1.00 C ATOM 843 NZ LYS A 56 32.853 31.890 17.138 1.00 1.00 N ATOM 0 H LYS A 56 33.129 29.033 22.469 1.00 1.00 H new ATOM 0 HA LYS A 56 34.018 31.738 22.374 1.00 1.00 H new ATOM 0 HB2 LYS A 56 33.883 31.396 19.941 1.00 1.00 H new ATOM 0 HB3 LYS A 56 34.588 29.976 20.688 1.00 1.00 H new ATOM 0 HG2 LYS A 56 32.961 28.753 19.651 1.00 1.00 H new ATOM 0 HG3 LYS A 56 31.826 29.445 20.792 1.00 1.00 H new ATOM 0 HD2 LYS A 56 30.928 29.955 18.614 1.00 1.00 H new ATOM 0 HD3 LYS A 56 31.613 31.460 19.196 1.00 1.00 H new ATOM 0 HE2 LYS A 56 33.790 30.156 17.938 1.00 1.00 H new ATOM 0 HE3 LYS A 56 32.429 29.821 16.886 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 33.483 31.923 16.312 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 31.900 32.198 16.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 33.218 32.523 17.878 1.00 1.00 H new