USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 357 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 NoAdj-H: A 178 HIS HD1 : A 178 HIS ND1 : A1175 ZNZN :(H bumps) USER MOD NoAdj-H: A 204 HIS HD1 : A 204 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD NoAdj-H: A 207 HIS HD1 : A 207 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD Single : A 168 SER OG : rot -64:sc= 0.529 USER MOD Single : A 169 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.132 K(o=-0.13,f=0.49) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -80:sc= -2.09 USER MOD Single : A 189 THR OG1 : rot 90:sc= 0.122 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 SER OG : rot 180:sc= 0.00926 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 6.874 -3.982 2.931 1.00 12.44 N ATOM 2 CA SER A 168 7.561 -2.742 2.585 1.00 31.41 C ATOM 3 C SER A 168 7.170 -2.277 1.187 1.00 73.23 C ATOM 4 O SER A 168 7.811 -2.637 0.198 1.00 12.15 O ATOM 5 CB SER A 168 9.076 -2.934 2.667 1.00 63.52 C ATOM 6 OG SER A 168 9.754 -1.983 1.865 1.00 44.14 O ATOM 0 HA SER A 168 7.260 -1.977 3.300 1.00 31.41 H new ATOM 0 HB2 SER A 168 9.402 -2.840 3.703 1.00 63.52 H new ATOM 0 HB3 SER A 168 9.336 -3.941 2.341 1.00 63.52 H new ATOM 0 HG SER A 168 9.525 -2.127 0.923 1.00 44.14 H new ATOM 12 N HIS A 169 6.112 -1.476 1.110 1.00 11.35 N ATOM 13 CA HIS A 169 5.634 -0.959 -0.167 1.00 44.54 C ATOM 14 C HIS A 169 5.659 0.567 -0.180 1.00 43.22 C ATOM 15 O HIS A 169 4.643 1.211 -0.441 1.00 1.54 O ATOM 16 CB HIS A 169 4.218 -1.460 -0.447 1.00 15.24 C ATOM 17 CG HIS A 169 4.168 -2.876 -0.933 1.00 13.11 C ATOM 18 ND1 HIS A 169 4.003 -3.210 -2.260 1.00 71.50 N ATOM 19 CD2 HIS A 169 4.264 -4.046 -0.261 1.00 1.14 C ATOM 20 CE1 HIS A 169 3.998 -4.526 -2.383 1.00 0.23 C ATOM 21 NE2 HIS A 169 4.155 -5.057 -1.183 1.00 41.44 N ATOM 0 H HIS A 169 5.569 -1.171 1.918 1.00 11.35 H new ATOM 0 HA HIS A 169 6.300 -1.322 -0.949 1.00 44.54 H new ATOM 0 HB2 HIS A 169 3.625 -1.376 0.464 1.00 15.24 H new ATOM 0 HB3 HIS A 169 3.753 -0.813 -1.191 1.00 15.24 H new ATOM 0 HD2 HIS A 169 4.401 -4.163 0.804 1.00 1.14 H new ATOM 0 HE1 HIS A 169 3.885 -5.074 -3.307 1.00 0.23 H new ATOM 0 HE2 HIS A 169 4.190 -6.055 -0.976 1.00 41.44 H new ATOM 29 N ILE A 170 6.826 1.137 0.103 1.00 12.41 N ATOM 30 CA ILE A 170 6.982 2.587 0.123 1.00 31.45 C ATOM 31 C ILE A 170 7.846 3.062 -1.040 1.00 15.11 C ATOM 32 O ILE A 170 7.402 3.853 -1.871 1.00 51.34 O ATOM 33 CB ILE A 170 7.611 3.066 1.445 1.00 53.14 C ATOM 34 CG1 ILE A 170 6.808 2.540 2.637 1.00 23.15 C ATOM 35 CG2 ILE A 170 7.682 4.586 1.477 1.00 21.51 C ATOM 36 CD1 ILE A 170 7.434 2.864 3.976 1.00 33.12 C ATOM 0 H ILE A 170 7.676 0.618 0.321 1.00 12.41 H new ATOM 0 HA ILE A 170 5.984 3.014 0.029 1.00 31.45 H new ATOM 0 HB ILE A 170 8.625 2.672 1.512 1.00 53.14 H new ATOM 0 HG12 ILE A 170 5.803 2.962 2.603 1.00 23.15 H new ATOM 0 HG13 ILE A 170 6.703 1.459 2.546 1.00 23.15 H new ATOM 0 HG21 ILE A 170 8.129 4.910 2.417 1.00 21.51 H new ATOM 0 HG22 ILE A 170 8.291 4.939 0.645 1.00 21.51 H new ATOM 0 HG23 ILE A 170 6.677 4.999 1.392 1.00 21.51 H new ATOM 0 HD11 ILE A 170 6.812 2.461 4.775 1.00 33.12 H new ATOM 0 HD12 ILE A 170 8.428 2.419 4.030 1.00 33.12 H new ATOM 0 HD13 ILE A 170 7.514 3.945 4.088 1.00 33.12 H new ATOM 48 N ARG A 171 9.080 2.574 -1.091 1.00 63.02 N ATOM 49 CA ARG A 171 10.006 2.949 -2.153 1.00 64.52 C ATOM 50 C ARG A 171 10.307 4.444 -2.109 1.00 4.10 C ATOM 51 O ARG A 171 9.785 5.168 -1.264 1.00 23.14 O ATOM 52 CB ARG A 171 9.427 2.574 -3.520 1.00 11.44 C ATOM 53 CG ARG A 171 10.336 1.675 -4.341 1.00 24.32 C ATOM 54 CD ARG A 171 9.809 1.491 -5.754 1.00 62.13 C ATOM 55 NE ARG A 171 8.884 0.366 -5.852 1.00 52.22 N ATOM 56 CZ ARG A 171 8.386 -0.079 -7.000 1.00 54.01 C ATOM 57 NH1 ARG A 171 8.724 0.502 -8.143 1.00 73.42 N ATOM 58 NH2 ARG A 171 7.549 -1.109 -7.007 1.00 74.33 N ATOM 0 H ARG A 171 9.462 1.918 -0.410 1.00 63.02 H new ATOM 0 HA ARG A 171 10.937 2.404 -1.998 1.00 64.52 H new ATOM 0 HB2 ARG A 171 8.470 2.073 -3.375 1.00 11.44 H new ATOM 0 HB3 ARG A 171 9.227 3.486 -4.083 1.00 11.44 H new ATOM 0 HG2 ARG A 171 11.337 2.105 -4.378 1.00 24.32 H new ATOM 0 HG3 ARG A 171 10.424 0.703 -3.855 1.00 24.32 H new ATOM 0 HD2 ARG A 171 9.305 2.403 -6.074 1.00 62.13 H new ATOM 0 HD3 ARG A 171 10.645 1.333 -6.435 1.00 62.13 H new ATOM 0 HE ARG A 171 8.605 -0.104 -4.991 1.00 52.22 H new ATOM 0 HH11 ARG A 171 9.368 1.293 -8.142 1.00 73.42 H new ATOM 0 HH12 ARG A 171 8.340 0.158 -9.023 1.00 73.42 H new ATOM 0 HH21 ARG A 171 7.288 -1.560 -6.130 1.00 74.33 H new ATOM 0 HH22 ARG A 171 7.167 -1.450 -7.889 1.00 74.33 H new ATOM 72 N GLY A 172 11.155 4.899 -3.028 1.00 12.34 N ATOM 73 CA GLY A 172 11.513 6.305 -3.075 1.00 73.53 C ATOM 74 C GLY A 172 12.951 6.523 -3.503 1.00 35.22 C ATOM 75 O GLY A 172 13.390 5.993 -4.523 1.00 70.53 O ATOM 0 H GLY A 172 11.600 4.319 -3.740 1.00 12.34 H new ATOM 0 HA2 GLY A 172 10.849 6.823 -3.767 1.00 73.53 H new ATOM 0 HA3 GLY A 172 11.358 6.749 -2.092 1.00 73.53 H new ATOM 79 N LEU A 173 13.686 7.307 -2.721 1.00 21.12 N ATOM 80 CA LEU A 173 15.082 7.597 -3.026 1.00 23.14 C ATOM 81 C LEU A 173 15.995 7.132 -1.894 1.00 72.13 C ATOM 82 O LEU A 173 16.283 7.887 -0.967 1.00 2.42 O ATOM 83 CB LEU A 173 15.272 9.096 -3.266 1.00 64.34 C ATOM 84 CG LEU A 173 14.218 9.773 -4.143 1.00 21.54 C ATOM 85 CD1 LEU A 173 13.203 10.511 -3.282 1.00 44.51 C ATOM 86 CD2 LEU A 173 14.877 10.725 -5.130 1.00 54.41 C ATOM 0 H LEU A 173 13.338 7.753 -1.872 1.00 21.12 H new ATOM 0 HA LEU A 173 15.351 7.053 -3.932 1.00 23.14 H new ATOM 0 HB2 LEU A 173 15.289 9.599 -2.299 1.00 64.34 H new ATOM 0 HB3 LEU A 173 16.250 9.250 -3.723 1.00 64.34 H new ATOM 0 HG LEU A 173 13.693 9.003 -4.708 1.00 21.54 H new ATOM 0 HD11 LEU A 173 12.460 10.987 -3.922 1.00 44.51 H new ATOM 0 HD12 LEU A 173 12.708 9.804 -2.616 1.00 44.51 H new ATOM 0 HD13 LEU A 173 13.712 11.271 -2.690 1.00 44.51 H new ATOM 0 HD21 LEU A 173 14.112 11.198 -5.746 1.00 54.41 H new ATOM 0 HD22 LEU A 173 15.428 11.491 -4.584 1.00 54.41 H new ATOM 0 HD23 LEU A 173 15.564 10.169 -5.768 1.00 54.41 H new ATOM 98 N MET A 174 16.447 5.886 -1.979 1.00 74.14 N ATOM 99 CA MET A 174 17.330 5.322 -0.965 1.00 41.21 C ATOM 100 C MET A 174 18.735 5.112 -1.523 1.00 14.31 C ATOM 101 O MET A 174 19.021 5.582 -2.623 1.00 51.11 O ATOM 102 CB MET A 174 16.769 3.995 -0.451 1.00 23.54 C ATOM 103 CG MET A 174 15.369 4.110 0.129 1.00 13.45 C ATOM 104 SD MET A 174 14.136 3.236 -0.853 1.00 71.52 S ATOM 105 CE MET A 174 13.776 1.845 0.216 1.00 21.33 C ATOM 0 H MET A 174 16.216 5.247 -2.740 1.00 74.14 H new ATOM 0 HA MET A 174 17.389 6.028 -0.137 1.00 41.21 H new ATOM 0 HB2 MET A 174 16.756 3.274 -1.269 1.00 23.54 H new ATOM 0 HB3 MET A 174 17.438 3.599 0.313 1.00 23.54 H new ATOM 0 HG2 MET A 174 15.367 3.713 1.144 1.00 13.45 H new ATOM 0 HG3 MET A 174 15.094 5.162 0.197 1.00 13.45 H new ATOM 0 HE1 MET A 174 13.027 1.209 -0.255 1.00 21.33 H new ATOM 0 HE2 MET A 174 14.687 1.270 0.384 1.00 21.33 H new ATOM 0 HE3 MET A 174 13.395 2.209 1.170 1.00 21.33 H new ATOM 115 N CYS A 175 19.570 4.421 -0.762 1.00 34.23 N ATOM 116 CA CYS A 175 20.932 4.160 -1.192 1.00 11.13 C ATOM 117 C CYS A 175 20.964 2.798 -1.887 1.00 71.12 C ATOM 118 O CYS A 175 20.054 1.977 -1.758 1.00 20.41 O ATOM 119 CB CYS A 175 21.917 4.227 -0.022 1.00 64.14 C ATOM 120 SG CYS A 175 23.453 5.074 -0.545 1.00 55.43 S ATOM 0 H CYS A 175 19.329 4.034 0.150 1.00 34.23 H new ATOM 0 HA CYS A 175 21.249 4.932 -1.893 1.00 11.13 H new ATOM 0 HB2 CYS A 175 21.465 4.760 0.815 1.00 64.14 H new ATOM 0 HB3 CYS A 175 22.148 3.221 0.328 1.00 64.14 H new ATOM 125 N LEU A 176 22.040 2.573 -2.634 1.00 71.11 N ATOM 126 CA LEU A 176 22.218 1.321 -3.362 1.00 12.34 C ATOM 127 C LEU A 176 22.458 0.162 -2.400 1.00 13.20 C ATOM 128 O LEU A 176 21.768 -0.855 -2.457 1.00 33.01 O ATOM 129 CB LEU A 176 23.389 1.440 -4.338 1.00 62.51 C ATOM 130 CG LEU A 176 23.024 1.741 -5.792 1.00 53.55 C ATOM 131 CD1 LEU A 176 23.128 3.234 -6.069 1.00 73.21 C ATOM 132 CD2 LEU A 176 23.918 0.957 -6.741 1.00 52.24 C ATOM 0 H LEU A 176 22.802 3.241 -2.751 1.00 71.11 H new ATOM 0 HA LEU A 176 21.305 1.120 -3.922 1.00 12.34 H new ATOM 0 HB2 LEU A 176 24.054 2.226 -3.981 1.00 62.51 H new ATOM 0 HB3 LEU A 176 23.954 0.508 -4.312 1.00 62.51 H new ATOM 0 HG LEU A 176 21.992 1.431 -5.959 1.00 53.55 H new ATOM 0 HD11 LEU A 176 22.865 3.430 -7.108 1.00 73.21 H new ATOM 0 HD12 LEU A 176 22.445 3.774 -5.413 1.00 73.21 H new ATOM 0 HD13 LEU A 176 24.149 3.568 -5.884 1.00 73.21 H new ATOM 0 HD21 LEU A 176 23.643 1.184 -7.771 1.00 52.24 H new ATOM 0 HD22 LEU A 176 24.959 1.235 -6.573 1.00 52.24 H new ATOM 0 HD23 LEU A 176 23.794 -0.111 -6.559 1.00 52.24 H new ATOM 144 N GLU A 177 23.438 0.325 -1.517 1.00 75.34 N ATOM 145 CA GLU A 177 23.766 -0.709 -0.543 1.00 25.02 C ATOM 146 C GLU A 177 22.866 -0.605 0.685 1.00 11.34 C ATOM 147 O GLU A 177 22.470 -1.615 1.266 1.00 74.20 O ATOM 148 CB GLU A 177 25.233 -0.598 -0.123 1.00 24.01 C ATOM 149 CG GLU A 177 26.074 -1.798 -0.526 1.00 61.11 C ATOM 150 CD GLU A 177 27.134 -1.450 -1.552 1.00 42.34 C ATOM 151 OE1 GLU A 177 26.795 -0.789 -2.557 1.00 31.35 O ATOM 152 OE2 GLU A 177 28.304 -1.838 -1.352 1.00 32.25 O ATOM 0 H GLU A 177 24.018 1.162 -1.456 1.00 75.34 H new ATOM 0 HA GLU A 177 23.602 -1.679 -1.012 1.00 25.02 H new ATOM 0 HB2 GLU A 177 25.662 0.301 -0.566 1.00 24.01 H new ATOM 0 HB3 GLU A 177 25.284 -0.476 0.959 1.00 24.01 H new ATOM 0 HG2 GLU A 177 26.554 -2.214 0.360 1.00 61.11 H new ATOM 0 HG3 GLU A 177 25.423 -2.573 -0.930 1.00 61.11 H new ATOM 159 N HIS A 178 22.547 0.626 1.075 1.00 41.01 N ATOM 160 CA HIS A 178 21.695 0.864 2.234 1.00 34.55 C ATOM 161 C HIS A 178 20.224 0.903 1.829 1.00 41.31 C ATOM 162 O HIS A 178 19.683 1.967 1.530 1.00 31.33 O ATOM 163 CB HIS A 178 22.083 2.175 2.919 1.00 74.32 C ATOM 164 CG HIS A 178 23.541 2.270 3.249 1.00 70.32 C ATOM 165 ND1 HIS A 178 24.450 2.936 2.455 1.00 52.51 N ATOM 166 CD2 HIS A 178 24.246 1.778 4.295 1.00 51.40 C ATOM 167 CE1 HIS A 178 25.651 2.849 2.997 1.00 41.44 C ATOM 168 NE2 HIS A 178 25.555 2.153 4.115 1.00 51.05 N ATOM 0 H HIS A 178 22.866 1.473 0.605 1.00 41.01 H new ATOM 0 HA HIS A 178 21.839 0.041 2.934 1.00 34.55 H new ATOM 0 HB2 HIS A 178 21.811 3.008 2.271 1.00 74.32 H new ATOM 0 HB3 HIS A 178 21.504 2.281 3.836 1.00 74.32 H new ATOM 0 HD2 HIS A 178 23.853 1.199 5.117 1.00 51.40 H new ATOM 0 HE1 HIS A 178 26.558 3.275 2.594 1.00 41.44 H new ATOM 0 HE2 HIS A 178 26.327 1.930 4.743 1.00 51.05 H new ATOM 175 N GLU A 179 19.586 -0.263 1.822 1.00 42.22 N ATOM 176 CA GLU A 179 18.179 -0.360 1.451 1.00 71.22 C ATOM 177 C GLU A 179 17.280 0.081 2.603 1.00 45.22 C ATOM 178 O GLU A 179 16.141 0.494 2.392 1.00 74.45 O ATOM 179 CB GLU A 179 17.835 -1.794 1.042 1.00 54.33 C ATOM 180 CG GLU A 179 17.358 -1.919 -0.397 1.00 3.15 C ATOM 181 CD GLU A 179 18.220 -2.858 -1.217 1.00 42.41 C ATOM 182 OE1 GLU A 179 19.462 -2.758 -1.122 1.00 50.54 O ATOM 183 OE2 GLU A 179 17.655 -3.693 -1.953 1.00 63.12 O ATOM 0 H GLU A 179 20.020 -1.152 2.069 1.00 42.22 H new ATOM 0 HA GLU A 179 18.007 0.304 0.604 1.00 71.22 H new ATOM 0 HB2 GLU A 179 18.714 -2.423 1.180 1.00 54.33 H new ATOM 0 HB3 GLU A 179 17.061 -2.177 1.707 1.00 54.33 H new ATOM 0 HG2 GLU A 179 16.328 -2.277 -0.405 1.00 3.15 H new ATOM 0 HG3 GLU A 179 17.357 -0.933 -0.862 1.00 3.15 H new ATOM 190 N ASP A 180 17.804 -0.008 3.820 1.00 30.41 N ATOM 191 CA ASP A 180 17.051 0.381 5.006 1.00 11.33 C ATOM 192 C ASP A 180 17.373 1.817 5.408 1.00 53.14 C ATOM 193 O ASP A 180 17.401 2.149 6.592 1.00 74.24 O ATOM 194 CB ASP A 180 17.359 -0.567 6.168 1.00 42.15 C ATOM 195 CG ASP A 180 18.809 -0.496 6.602 1.00 23.23 C ATOM 196 OD1 ASP A 180 19.649 -1.184 5.984 1.00 31.30 O ATOM 197 OD2 ASP A 180 19.106 0.248 7.560 1.00 52.40 O ATOM 0 H ASP A 180 18.747 -0.346 4.011 1.00 30.41 H new ATOM 0 HA ASP A 180 15.989 0.318 4.767 1.00 11.33 H new ATOM 0 HB2 ASP A 180 16.717 -0.321 7.014 1.00 42.15 H new ATOM 0 HB3 ASP A 180 17.120 -1.589 5.873 1.00 42.15 H new ATOM 202 N GLU A 181 17.615 2.664 4.412 1.00 43.34 N ATOM 203 CA GLU A 181 17.938 4.064 4.661 1.00 15.12 C ATOM 204 C GLU A 181 17.512 4.938 3.485 1.00 3.14 C ATOM 205 O GLU A 181 17.094 4.435 2.442 1.00 15.31 O ATOM 206 CB GLU A 181 19.437 4.227 4.917 1.00 52.25 C ATOM 207 CG GLU A 181 19.827 4.064 6.376 1.00 25.23 C ATOM 208 CD GLU A 181 20.579 2.772 6.638 1.00 43.14 C ATOM 209 OE1 GLU A 181 20.407 1.816 5.853 1.00 41.21 O ATOM 210 OE2 GLU A 181 21.339 2.719 7.626 1.00 21.01 O ATOM 0 H GLU A 181 17.593 2.405 3.426 1.00 43.34 H new ATOM 0 HA GLU A 181 17.390 4.385 5.547 1.00 15.12 H new ATOM 0 HB2 GLU A 181 19.981 3.494 4.320 1.00 52.25 H new ATOM 0 HB3 GLU A 181 19.750 5.213 4.574 1.00 52.25 H new ATOM 0 HG2 GLU A 181 20.446 4.908 6.679 1.00 25.23 H new ATOM 0 HG3 GLU A 181 18.929 4.089 6.993 1.00 25.23 H new ATOM 217 N LYS A 182 17.622 6.250 3.662 1.00 51.45 N ATOM 218 CA LYS A 182 17.249 7.197 2.616 1.00 24.44 C ATOM 219 C LYS A 182 18.399 8.154 2.315 1.00 35.32 C ATOM 220 O LYS A 182 19.083 8.624 3.224 1.00 41.24 O ATOM 221 CB LYS A 182 16.009 7.989 3.036 1.00 63.04 C ATOM 222 CG LYS A 182 14.765 7.639 2.236 1.00 4.14 C ATOM 223 CD LYS A 182 14.134 6.347 2.726 1.00 55.33 C ATOM 224 CE LYS A 182 13.098 6.610 3.808 1.00 13.32 C ATOM 225 NZ LYS A 182 13.528 6.076 5.130 1.00 63.41 N ATOM 0 H LYS A 182 17.966 6.682 4.519 1.00 51.45 H new ATOM 0 HA LYS A 182 17.023 6.632 1.712 1.00 24.44 H new ATOM 0 HB2 LYS A 182 15.814 7.809 4.093 1.00 63.04 H new ATOM 0 HB3 LYS A 182 16.214 9.054 2.927 1.00 63.04 H new ATOM 0 HG2 LYS A 182 14.041 8.451 2.313 1.00 4.14 H new ATOM 0 HG3 LYS A 182 15.024 7.542 1.182 1.00 4.14 H new ATOM 0 HD2 LYS A 182 13.665 5.829 1.889 1.00 55.33 H new ATOM 0 HD3 LYS A 182 14.909 5.687 3.115 1.00 55.33 H new ATOM 0 HE2 LYS A 182 12.922 7.683 3.889 1.00 13.32 H new ATOM 0 HE3 LYS A 182 12.151 6.153 3.522 1.00 13.32 H new ATOM 0 HZ1 LYS A 182 12.795 6.275 5.840 1.00 63.41 H new ATOM 0 HZ2 LYS A 182 13.671 5.048 5.059 1.00 63.41 H new ATOM 0 HZ3 LYS A 182 14.419 6.531 5.415 1.00 63.41 H new ATOM 239 N VAL A 183 18.604 8.439 1.033 1.00 43.33 N ATOM 240 CA VAL A 183 19.668 9.343 0.612 1.00 42.05 C ATOM 241 C VAL A 183 19.615 10.654 1.388 1.00 12.11 C ATOM 242 O VAL A 183 18.647 10.929 2.097 1.00 24.44 O ATOM 243 CB VAL A 183 19.582 9.648 -0.896 1.00 22.34 C ATOM 244 CG1 VAL A 183 20.025 8.443 -1.710 1.00 71.33 C ATOM 245 CG2 VAL A 183 18.169 10.068 -1.274 1.00 21.45 C ATOM 0 H VAL A 183 18.048 8.057 0.268 1.00 43.33 H new ATOM 0 HA VAL A 183 20.612 8.839 0.820 1.00 42.05 H new ATOM 0 HB VAL A 183 20.255 10.475 -1.121 1.00 22.34 H new ATOM 0 HG11 VAL A 183 19.958 8.677 -2.772 1.00 71.33 H new ATOM 0 HG12 VAL A 183 21.056 8.193 -1.458 1.00 71.33 H new ATOM 0 HG13 VAL A 183 19.380 7.594 -1.484 1.00 71.33 H new ATOM 0 HG21 VAL A 183 18.126 10.280 -2.342 1.00 21.45 H new ATOM 0 HG22 VAL A 183 17.474 9.263 -1.035 1.00 21.45 H new ATOM 0 HG23 VAL A 183 17.894 10.963 -0.715 1.00 21.45 H new ATOM 255 N ASN A 184 20.660 11.462 1.248 1.00 24.31 N ATOM 256 CA ASN A 184 20.733 12.745 1.937 1.00 41.55 C ATOM 257 C ASN A 184 21.101 13.864 0.965 1.00 23.52 C ATOM 258 O ASN A 184 20.523 14.950 1.005 1.00 21.53 O ATOM 259 CB ASN A 184 21.758 12.683 3.071 1.00 74.00 C ATOM 260 CG ASN A 184 21.185 13.157 4.393 1.00 73.20 C ATOM 261 OD1 ASN A 184 21.337 14.319 4.767 1.00 4.53 O ATOM 262 ND2 ASN A 184 20.522 12.254 5.108 1.00 53.51 N ATOM 0 H ASN A 184 21.469 11.251 0.663 1.00 24.31 H new ATOM 0 HA ASN A 184 19.750 12.959 2.357 1.00 41.55 H new ATOM 0 HB2 ASN A 184 22.115 11.659 3.179 1.00 74.00 H new ATOM 0 HB3 ASN A 184 22.621 13.296 2.811 1.00 74.00 H new ATOM 0 HD21 ASN A 184 20.115 12.514 6.006 1.00 53.51 H new ATOM 0 HD22 ASN A 184 20.421 11.301 4.758 1.00 53.51 H new ATOM 269 N MET A 185 22.066 13.589 0.093 1.00 21.01 N ATOM 270 CA MET A 185 22.510 14.571 -0.889 1.00 31.21 C ATOM 271 C MET A 185 23.111 13.884 -2.110 1.00 62.35 C ATOM 272 O MET A 185 23.056 12.660 -2.237 1.00 11.34 O ATOM 273 CB MET A 185 23.537 15.519 -0.266 1.00 74.33 C ATOM 274 CG MET A 185 22.920 16.566 0.647 1.00 34.32 C ATOM 275 SD MET A 185 23.032 16.119 2.391 1.00 4.11 S ATOM 276 CE MET A 185 22.370 17.595 3.161 1.00 35.23 C ATOM 0 H MET A 185 22.555 12.695 0.047 1.00 21.01 H new ATOM 0 HA MET A 185 21.641 15.147 -1.208 1.00 31.21 H new ATOM 0 HB2 MET A 185 24.261 14.935 0.302 1.00 74.33 H new ATOM 0 HB3 MET A 185 24.086 16.021 -1.062 1.00 74.33 H new ATOM 0 HG2 MET A 185 23.420 17.521 0.488 1.00 34.32 H new ATOM 0 HG3 MET A 185 21.873 16.705 0.378 1.00 34.32 H new ATOM 0 HE1 MET A 185 22.373 17.473 4.244 1.00 35.23 H new ATOM 0 HE2 MET A 185 22.985 18.453 2.891 1.00 35.23 H new ATOM 0 HE3 MET A 185 21.348 17.758 2.817 1.00 35.23 H new ATOM 286 N TYR A 186 23.685 14.677 -3.008 1.00 42.34 N ATOM 287 CA TYR A 186 24.295 14.145 -4.221 1.00 52.21 C ATOM 288 C TYR A 186 25.753 14.580 -4.333 1.00 75.21 C ATOM 289 O TYR A 186 26.037 15.772 -4.237 1.00 55.24 O ATOM 290 CB TYR A 186 23.517 14.609 -5.454 1.00 12.44 C ATOM 291 CG TYR A 186 24.067 14.070 -6.754 1.00 73.05 C ATOM 292 CD1 TYR A 186 25.157 14.669 -7.372 1.00 63.42 C ATOM 293 CD2 TYR A 186 23.495 12.961 -7.366 1.00 72.53 C ATOM 294 CE1 TYR A 186 25.662 14.180 -8.562 1.00 30.12 C ATOM 295 CE2 TYR A 186 23.994 12.463 -8.554 1.00 44.32 C ATOM 296 CZ TYR A 186 25.077 13.077 -9.149 1.00 25.54 C ATOM 297 OH TYR A 186 25.579 12.586 -10.332 1.00 75.23 O ATOM 0 H TYR A 186 23.741 15.692 -2.919 1.00 42.34 H new ATOM 0 HA TYR A 186 24.262 13.057 -4.167 1.00 52.21 H new ATOM 0 HB2 TYR A 186 22.476 14.301 -5.354 1.00 12.44 H new ATOM 0 HB3 TYR A 186 23.525 15.698 -5.490 1.00 12.44 H new ATOM 0 HD1 TYR A 186 25.618 15.532 -6.915 1.00 63.42 H new ATOM 0 HD2 TYR A 186 22.645 12.480 -6.905 1.00 72.53 H new ATOM 0 HE1 TYR A 186 26.510 14.659 -9.030 1.00 30.12 H new ATOM 0 HE2 TYR A 186 23.539 11.598 -9.014 1.00 44.32 H new ATOM 0 HH TYR A 186 25.248 13.128 -11.078 1.00 75.23 H new ATOM 307 N CYS A 187 26.635 13.612 -4.533 1.00 4.13 N ATOM 308 CA CYS A 187 28.053 13.907 -4.656 1.00 24.54 C ATOM 309 C CYS A 187 28.328 14.352 -6.093 1.00 52.31 C ATOM 310 O CYS A 187 28.319 13.561 -7.036 1.00 42.10 O ATOM 311 CB CYS A 187 28.917 12.708 -4.256 1.00 35.21 C ATOM 312 SG CYS A 187 29.760 13.047 -2.667 1.00 51.30 S ATOM 0 H CYS A 187 26.396 12.624 -4.613 1.00 4.13 H new ATOM 0 HA CYS A 187 28.320 14.710 -3.970 1.00 24.54 H new ATOM 0 HB2 CYS A 187 28.297 11.816 -4.165 1.00 35.21 H new ATOM 0 HB3 CYS A 187 29.655 12.505 -5.033 1.00 35.21 H new ATOM 317 N VAL A 188 28.573 15.651 -6.242 1.00 23.01 N ATOM 318 CA VAL A 188 28.855 16.231 -7.550 1.00 12.15 C ATOM 319 C VAL A 188 30.254 15.860 -8.025 1.00 43.41 C ATOM 320 O VAL A 188 30.521 15.807 -9.226 1.00 1.31 O ATOM 321 CB VAL A 188 28.724 17.766 -7.522 1.00 72.43 C ATOM 322 CG1 VAL A 188 28.903 18.342 -8.917 1.00 44.25 C ATOM 323 CG2 VAL A 188 27.380 18.175 -6.936 1.00 71.41 C ATOM 0 H VAL A 188 28.582 16.321 -5.473 1.00 23.01 H new ATOM 0 HA VAL A 188 28.119 15.823 -8.243 1.00 12.15 H new ATOM 0 HB VAL A 188 29.511 18.169 -6.884 1.00 72.43 H new ATOM 0 HG11 VAL A 188 28.807 19.427 -8.878 1.00 44.25 H new ATOM 0 HG12 VAL A 188 29.891 18.078 -9.296 1.00 44.25 H new ATOM 0 HG13 VAL A 188 28.140 17.934 -9.580 1.00 44.25 H new ATOM 0 HG21 VAL A 188 27.304 19.262 -6.924 1.00 71.41 H new ATOM 0 HG22 VAL A 188 26.576 17.762 -7.546 1.00 71.41 H new ATOM 0 HG23 VAL A 188 27.296 17.794 -5.918 1.00 71.41 H new ATOM 333 N THR A 189 31.148 15.602 -7.075 1.00 3.15 N ATOM 334 CA THR A 189 32.522 15.238 -7.396 1.00 22.33 C ATOM 335 C THR A 189 32.575 13.937 -8.188 1.00 72.22 C ATOM 336 O THR A 189 33.129 13.889 -9.286 1.00 41.23 O ATOM 337 CB THR A 189 33.376 15.086 -6.123 1.00 12.23 C ATOM 338 OG1 THR A 189 32.527 14.947 -4.977 1.00 73.34 O ATOM 339 CG2 THR A 189 34.291 16.288 -5.938 1.00 34.41 C ATOM 0 H THR A 189 30.944 15.639 -6.076 1.00 3.15 H new ATOM 0 HA THR A 189 32.929 16.047 -8.003 1.00 22.33 H new ATOM 0 HB THR A 189 33.992 14.193 -6.230 1.00 12.23 H new ATOM 0 HG1 THR A 189 32.333 13.998 -4.827 1.00 73.34 H new ATOM 0 HG21 THR A 189 34.884 16.158 -5.033 1.00 34.41 H new ATOM 0 HG22 THR A 189 34.955 16.375 -6.798 1.00 34.41 H new ATOM 0 HG23 THR A 189 33.690 17.193 -5.851 1.00 34.41 H new ATOM 347 N ASP A 190 31.995 12.883 -7.624 1.00 31.52 N ATOM 348 CA ASP A 190 31.974 11.580 -8.279 1.00 2.01 C ATOM 349 C ASP A 190 30.732 11.430 -9.150 1.00 71.55 C ATOM 350 O ASP A 190 30.635 10.505 -9.957 1.00 64.43 O ATOM 351 CB ASP A 190 32.020 10.461 -7.237 1.00 43.13 C ATOM 352 CG ASP A 190 32.851 10.833 -6.025 1.00 24.24 C ATOM 353 OD1 ASP A 190 32.284 11.401 -5.068 1.00 24.50 O ATOM 354 OD2 ASP A 190 34.069 10.554 -6.033 1.00 21.02 O ATOM 0 H ASP A 190 31.533 12.905 -6.715 1.00 31.52 H new ATOM 0 HA ASP A 190 32.854 11.507 -8.918 1.00 2.01 H new ATOM 0 HB2 ASP A 190 31.005 10.223 -6.919 1.00 43.13 H new ATOM 0 HB3 ASP A 190 32.431 9.560 -7.693 1.00 43.13 H new ATOM 359 N ASP A 191 29.783 12.343 -8.981 1.00 53.34 N ATOM 360 CA ASP A 191 28.545 12.313 -9.752 1.00 42.24 C ATOM 361 C ASP A 191 27.735 11.061 -9.431 1.00 65.35 C ATOM 362 O ASP A 191 27.437 10.260 -10.316 1.00 64.13 O ATOM 363 CB ASP A 191 28.851 12.367 -11.250 1.00 43.00 C ATOM 364 CG ASP A 191 27.747 13.038 -12.043 1.00 2.41 C ATOM 365 OD1 ASP A 191 27.596 14.272 -11.923 1.00 33.40 O ATOM 366 OD2 ASP A 191 27.035 12.329 -12.784 1.00 42.43 O ATOM 0 H ASP A 191 29.847 13.114 -8.316 1.00 53.34 H new ATOM 0 HA ASP A 191 27.954 13.187 -9.478 1.00 42.24 H new ATOM 0 HB2 ASP A 191 29.786 12.905 -11.408 1.00 43.00 H new ATOM 0 HB3 ASP A 191 28.999 11.354 -11.624 1.00 43.00 H new ATOM 371 N GLN A 192 27.385 10.900 -8.159 1.00 72.05 N ATOM 372 CA GLN A 192 26.611 9.743 -7.722 1.00 53.43 C ATOM 373 C GLN A 192 25.916 10.025 -6.394 1.00 1.43 C ATOM 374 O GLN A 192 26.570 10.279 -5.381 1.00 31.25 O ATOM 375 CB GLN A 192 27.516 8.518 -7.588 1.00 44.44 C ATOM 376 CG GLN A 192 26.780 7.198 -7.746 1.00 64.55 C ATOM 377 CD GLN A 192 27.701 6.061 -8.146 1.00 15.15 C ATOM 378 OE1 GLN A 192 27.516 5.435 -9.190 1.00 30.15 O ATOM 379 NE2 GLN A 192 28.699 5.788 -7.314 1.00 32.51 N ATOM 0 H GLN A 192 27.624 11.554 -7.414 1.00 72.05 H new ATOM 0 HA GLN A 192 25.849 9.541 -8.475 1.00 53.43 H new ATOM 0 HB2 GLN A 192 28.306 8.576 -8.337 1.00 44.44 H new ATOM 0 HB3 GLN A 192 28.001 8.540 -6.612 1.00 44.44 H new ATOM 0 HG2 GLN A 192 26.286 6.947 -6.807 1.00 64.55 H new ATOM 0 HG3 GLN A 192 25.999 7.310 -8.498 1.00 64.55 H new ATOM 0 HE21 GLN A 192 28.814 6.333 -6.460 1.00 32.51 H new ATOM 0 HE22 GLN A 192 29.350 5.033 -7.529 1.00 32.51 H new ATOM 388 N LEU A 193 24.589 9.979 -6.404 1.00 41.44 N ATOM 389 CA LEU A 193 23.804 10.230 -5.200 1.00 21.42 C ATOM 390 C LEU A 193 24.307 9.381 -4.037 1.00 14.15 C ATOM 391 O LEU A 193 24.802 8.270 -4.235 1.00 14.04 O ATOM 392 CB LEU A 193 22.325 9.935 -5.460 1.00 45.32 C ATOM 393 CG LEU A 193 21.341 11.030 -5.048 1.00 2.01 C ATOM 394 CD1 LEU A 193 20.120 11.018 -5.954 1.00 43.22 C ATOM 395 CD2 LEU A 193 20.929 10.858 -3.594 1.00 24.44 C ATOM 0 H LEU A 193 24.033 9.770 -7.233 1.00 41.44 H new ATOM 0 HA LEU A 193 23.917 11.281 -4.935 1.00 21.42 H new ATOM 0 HB2 LEU A 193 22.196 9.740 -6.524 1.00 45.32 H new ATOM 0 HB3 LEU A 193 22.060 9.018 -4.933 1.00 45.32 H new ATOM 0 HG LEU A 193 21.837 11.995 -5.152 1.00 2.01 H new ATOM 0 HD11 LEU A 193 19.431 11.804 -5.646 1.00 43.22 H new ATOM 0 HD12 LEU A 193 20.430 11.191 -6.985 1.00 43.22 H new ATOM 0 HD13 LEU A 193 19.623 10.051 -5.882 1.00 43.22 H new ATOM 0 HD21 LEU A 193 20.228 11.646 -3.319 1.00 24.44 H new ATOM 0 HD22 LEU A 193 20.452 9.887 -3.463 1.00 24.44 H new ATOM 0 HD23 LEU A 193 21.811 10.917 -2.956 1.00 24.44 H new ATOM 407 N ILE A 194 24.175 9.909 -2.825 1.00 73.04 N ATOM 408 CA ILE A 194 24.613 9.199 -1.630 1.00 65.11 C ATOM 409 C ILE A 194 23.724 9.530 -0.437 1.00 24.25 C ATOM 410 O ILE A 194 22.784 10.311 -0.583 1.00 61.41 O ATOM 411 CB ILE A 194 26.073 9.538 -1.278 1.00 64.33 C ATOM 412 CG1 ILE A 194 26.241 11.048 -1.102 1.00 5.21 C ATOM 413 CG2 ILE A 194 27.013 9.017 -2.355 1.00 72.42 C ATOM 414 CD1 ILE A 194 25.988 11.524 0.311 1.00 21.54 C ATOM 0 H ILE A 194 23.768 10.827 -2.645 1.00 73.04 H new ATOM 0 HA ILE A 194 24.539 8.134 -1.850 1.00 65.11 H new ATOM 0 HB ILE A 194 26.326 9.051 -0.336 1.00 64.33 H new ATOM 0 HG12 ILE A 194 27.252 11.329 -1.396 1.00 5.21 H new ATOM 0 HG13 ILE A 194 25.558 11.563 -1.778 1.00 5.21 H new ATOM 0 HG21 ILE A 194 28.041 9.265 -2.091 1.00 72.42 H new ATOM 0 HG22 ILE A 194 26.910 7.935 -2.436 1.00 72.42 H new ATOM 0 HG23 ILE A 194 26.762 9.478 -3.311 1.00 72.42 H new ATOM 0 HD11 ILE A 194 26.125 12.604 0.361 1.00 21.54 H new ATOM 0 HD12 ILE A 194 24.968 11.274 0.602 1.00 21.54 H new ATOM 0 HD13 ILE A 194 26.688 11.037 0.990 1.00 21.54 H new ATOM 426 N CYS A 195 24.036 8.938 0.707 1.00 2.43 N ATOM 427 CA CYS A 195 23.261 9.179 1.911 1.00 13.41 C ATOM 428 C CYS A 195 24.208 9.689 2.999 1.00 14.54 C ATOM 429 O CYS A 195 25.397 9.913 2.777 1.00 45.40 O ATOM 430 CB CYS A 195 22.502 7.928 2.355 1.00 14.13 C ATOM 431 SG CYS A 195 23.681 6.651 2.928 1.00 13.50 S ATOM 0 H CYS A 195 24.816 8.291 0.825 1.00 2.43 H new ATOM 0 HA CYS A 195 22.500 9.933 1.711 1.00 13.41 H new ATOM 0 HB2 CYS A 195 21.807 8.179 3.157 1.00 14.13 H new ATOM 0 HB3 CYS A 195 21.907 7.541 1.528 1.00 14.13 H new ATOM 436 N ALA A 196 23.649 9.868 4.191 1.00 1.24 N ATOM 437 CA ALA A 196 24.420 10.346 5.333 1.00 41.14 C ATOM 438 C ALA A 196 25.373 9.270 5.841 1.00 60.32 C ATOM 439 O ALA A 196 26.474 9.570 6.303 1.00 4.21 O ATOM 440 CB ALA A 196 23.488 10.798 6.448 1.00 64.52 C ATOM 0 H ALA A 196 22.665 9.689 4.392 1.00 1.24 H new ATOM 0 HA ALA A 196 25.017 11.198 5.006 1.00 41.14 H new ATOM 0 HB1 ALA A 196 24.077 11.152 7.294 1.00 64.52 H new ATOM 0 HB2 ALA A 196 22.852 11.605 6.086 1.00 64.52 H new ATOM 0 HB3 ALA A 196 22.866 9.961 6.764 1.00 64.52 H new ATOM 446 N LEU A 197 24.943 8.016 5.753 1.00 62.31 N ATOM 447 CA LEU A 197 25.759 6.894 6.204 1.00 15.45 C ATOM 448 C LEU A 197 26.962 6.693 5.289 1.00 33.30 C ATOM 449 O LEU A 197 27.938 6.069 5.705 1.00 1.43 O ATOM 450 CB LEU A 197 24.921 5.615 6.253 1.00 52.01 C ATOM 451 CG LEU A 197 25.216 4.662 7.412 1.00 44.02 C ATOM 452 CD1 LEU A 197 23.928 4.257 8.111 1.00 11.13 C ATOM 453 CD2 LEU A 197 25.964 3.435 6.914 1.00 24.33 C ATOM 0 H LEU A 197 24.034 7.751 5.374 1.00 62.31 H new ATOM 0 HA LEU A 197 26.122 7.121 7.206 1.00 15.45 H new ATOM 0 HB2 LEU A 197 23.869 5.896 6.299 1.00 52.01 H new ATOM 0 HB3 LEU A 197 25.066 5.074 5.318 1.00 52.01 H new ATOM 0 HG LEU A 197 25.848 5.181 8.133 1.00 44.02 H new ATOM 0 HD11 LEU A 197 24.158 3.579 8.933 1.00 11.13 H new ATOM 0 HD12 LEU A 197 23.431 5.145 8.501 1.00 11.13 H new ATOM 0 HD13 LEU A 197 23.270 3.756 7.400 1.00 11.13 H new ATOM 0 HD21 LEU A 197 26.166 2.767 7.752 1.00 24.33 H new ATOM 0 HD22 LEU A 197 25.357 2.915 6.173 1.00 24.33 H new ATOM 0 HD23 LEU A 197 26.906 3.743 6.460 1.00 24.33 H new ATOM 465 N CYS A 198 26.869 7.218 4.077 1.00 52.51 N ATOM 466 CA CYS A 198 27.955 7.091 3.120 1.00 61.12 C ATOM 467 C CYS A 198 29.008 8.153 3.444 1.00 14.54 C ATOM 468 O CYS A 198 30.213 7.940 3.313 1.00 1.33 O ATOM 469 CB CYS A 198 27.456 7.205 1.679 1.00 61.14 C ATOM 470 SG CYS A 198 26.851 5.579 1.096 1.00 55.34 S ATOM 0 H CYS A 198 26.058 7.733 3.735 1.00 52.51 H new ATOM 0 HA CYS A 198 28.401 6.100 3.203 1.00 61.12 H new ATOM 0 HB2 CYS A 198 26.656 7.943 1.620 1.00 61.14 H new ATOM 0 HB3 CYS A 198 28.261 7.556 1.033 1.00 61.14 H new ATOM 475 N LYS A 199 28.522 9.313 3.876 1.00 32.42 N ATOM 476 CA LYS A 199 29.397 10.424 4.229 1.00 55.22 C ATOM 477 C LYS A 199 30.036 10.201 5.596 1.00 60.14 C ATOM 478 O LYS A 199 30.998 10.878 5.960 1.00 25.24 O ATOM 479 CB LYS A 199 28.609 11.737 4.232 1.00 41.40 C ATOM 480 CG LYS A 199 27.998 12.083 2.885 1.00 64.03 C ATOM 481 CD LYS A 199 27.966 13.584 2.656 1.00 15.11 C ATOM 482 CE LYS A 199 26.889 14.253 3.497 1.00 31.31 C ATOM 483 NZ LYS A 199 26.830 15.721 3.258 1.00 43.31 N ATOM 0 H LYS A 199 27.527 9.507 3.990 1.00 32.42 H new ATOM 0 HA LYS A 199 30.189 10.482 3.482 1.00 55.22 H new ATOM 0 HB2 LYS A 199 27.815 11.673 4.976 1.00 41.40 H new ATOM 0 HB3 LYS A 199 29.270 12.547 4.541 1.00 41.40 H new ATOM 0 HG2 LYS A 199 28.572 11.605 2.091 1.00 64.03 H new ATOM 0 HG3 LYS A 199 26.985 11.684 2.831 1.00 64.03 H new ATOM 0 HD2 LYS A 199 28.938 14.011 2.901 1.00 15.11 H new ATOM 0 HD3 LYS A 199 27.785 13.788 1.601 1.00 15.11 H new ATOM 0 HE2 LYS A 199 25.921 13.809 3.267 1.00 31.31 H new ATOM 0 HE3 LYS A 199 27.084 14.065 4.553 1.00 31.31 H new ATOM 0 HZ1 LYS A 199 26.084 16.139 3.850 1.00 43.31 H new ATOM 0 HZ2 LYS A 199 27.746 16.149 3.501 1.00 43.31 H new ATOM 0 HZ3 LYS A 199 26.619 15.901 2.256 1.00 43.31 H new ATOM 497 N LEU A 200 29.498 9.247 6.347 1.00 50.02 N ATOM 498 CA LEU A 200 30.019 8.932 7.672 1.00 23.15 C ATOM 499 C LEU A 200 30.812 7.629 7.651 1.00 21.02 C ATOM 500 O LEU A 200 31.898 7.541 8.223 1.00 41.43 O ATOM 501 CB LEU A 200 28.873 8.828 8.681 1.00 74.04 C ATOM 502 CG LEU A 200 29.113 9.488 10.039 1.00 30.45 C ATOM 503 CD1 LEU A 200 29.046 11.002 9.917 1.00 71.42 C ATOM 504 CD2 LEU A 200 28.101 8.987 11.060 1.00 10.14 C ATOM 0 H LEU A 200 28.701 8.678 6.061 1.00 50.02 H new ATOM 0 HA LEU A 200 30.688 9.738 7.972 1.00 23.15 H new ATOM 0 HB2 LEU A 200 27.982 9.272 8.236 1.00 74.04 H new ATOM 0 HB3 LEU A 200 28.655 7.773 8.846 1.00 74.04 H new ATOM 0 HG LEU A 200 30.111 9.217 10.382 1.00 30.45 H new ATOM 0 HD11 LEU A 200 29.219 11.454 10.894 1.00 71.42 H new ATOM 0 HD12 LEU A 200 29.809 11.345 9.218 1.00 71.42 H new ATOM 0 HD13 LEU A 200 28.062 11.294 9.552 1.00 71.42 H new ATOM 0 HD21 LEU A 200 28.286 9.467 12.021 1.00 10.14 H new ATOM 0 HD22 LEU A 200 27.093 9.228 10.722 1.00 10.14 H new ATOM 0 HD23 LEU A 200 28.198 7.907 11.169 1.00 10.14 H new ATOM 516 N VAL A 201 30.262 6.618 6.985 1.00 74.04 N ATOM 517 CA VAL A 201 30.919 5.321 6.885 1.00 42.22 C ATOM 518 C VAL A 201 31.830 5.260 5.664 1.00 62.44 C ATOM 519 O VAL A 201 32.949 4.753 5.736 1.00 42.21 O ATOM 520 CB VAL A 201 29.892 4.176 6.803 1.00 35.23 C ATOM 521 CG1 VAL A 201 30.595 2.827 6.797 1.00 15.23 C ATOM 522 CG2 VAL A 201 28.903 4.266 7.955 1.00 12.34 C ATOM 0 H VAL A 201 29.363 6.673 6.507 1.00 74.04 H new ATOM 0 HA VAL A 201 31.517 5.198 7.788 1.00 42.22 H new ATOM 0 HB VAL A 201 29.338 4.274 5.869 1.00 35.23 H new ATOM 0 HG11 VAL A 201 29.853 2.030 6.739 1.00 15.23 H new ATOM 0 HG12 VAL A 201 31.260 2.767 5.936 1.00 15.23 H new ATOM 0 HG13 VAL A 201 31.176 2.715 7.712 1.00 15.23 H new ATOM 0 HG21 VAL A 201 28.184 3.450 7.882 1.00 12.34 H new ATOM 0 HG22 VAL A 201 29.439 4.194 8.901 1.00 12.34 H new ATOM 0 HG23 VAL A 201 28.376 5.219 7.908 1.00 12.34 H new ATOM 532 N GLY A 202 31.342 5.779 4.541 1.00 23.30 N ATOM 533 CA GLY A 202 32.125 5.772 3.320 1.00 45.32 C ATOM 534 C GLY A 202 33.221 6.821 3.328 1.00 74.54 C ATOM 535 O GLY A 202 33.864 7.047 4.352 1.00 2.41 O ATOM 0 H GLY A 202 30.419 6.204 4.456 1.00 23.30 H new ATOM 0 HA2 GLY A 202 32.570 4.787 3.183 1.00 45.32 H new ATOM 0 HA3 GLY A 202 31.467 5.945 2.469 1.00 45.32 H new ATOM 539 N ARG A 203 33.434 7.459 2.182 1.00 11.21 N ATOM 540 CA ARG A 203 34.462 8.487 2.060 1.00 75.20 C ATOM 541 C ARG A 203 33.910 9.729 1.367 1.00 62.33 C ATOM 542 O ARG A 203 34.661 10.520 0.797 1.00 3.43 O ATOM 543 CB ARG A 203 35.664 7.947 1.283 1.00 74.44 C ATOM 544 CG ARG A 203 36.277 6.699 1.898 1.00 13.40 C ATOM 545 CD ARG A 203 37.296 6.061 0.967 1.00 14.31 C ATOM 546 NE ARG A 203 36.689 5.616 -0.285 1.00 3.42 N ATOM 547 CZ ARG A 203 37.387 5.330 -1.379 1.00 34.01 C ATOM 548 NH1 ARG A 203 38.708 5.442 -1.374 1.00 24.34 N ATOM 549 NH2 ARG A 203 36.763 4.931 -2.480 1.00 51.54 N ATOM 0 H ARG A 203 32.909 7.283 1.325 1.00 11.21 H new ATOM 0 HA ARG A 203 34.783 8.765 3.064 1.00 75.20 H new ATOM 0 HB2 ARG A 203 35.355 7.724 0.262 1.00 74.44 H new ATOM 0 HB3 ARG A 203 36.426 8.724 1.223 1.00 74.44 H new ATOM 0 HG2 ARG A 203 36.756 6.956 2.843 1.00 13.40 H new ATOM 0 HG3 ARG A 203 35.490 5.980 2.125 1.00 13.40 H new ATOM 0 HD2 ARG A 203 38.089 6.777 0.751 1.00 14.31 H new ATOM 0 HD3 ARG A 203 37.762 5.211 1.466 1.00 14.31 H new ATOM 0 HE ARG A 203 35.674 5.520 -0.321 1.00 3.42 H new ATOM 0 HH11 ARG A 203 39.191 5.748 -0.529 1.00 24.34 H new ATOM 0 HH12 ARG A 203 39.242 5.222 -2.215 1.00 24.34 H new ATOM 0 HH21 ARG A 203 35.747 4.844 -2.487 1.00 51.54 H new ATOM 0 HH22 ARG A 203 37.300 4.712 -3.319 1.00 51.54 H new ATOM 563 N HIS A 204 32.591 9.892 1.418 1.00 41.43 N ATOM 564 CA HIS A 204 31.938 11.037 0.793 1.00 23.20 C ATOM 565 C HIS A 204 31.679 12.139 1.816 1.00 50.43 C ATOM 566 O HIS A 204 30.640 12.798 1.784 1.00 73.23 O ATOM 567 CB HIS A 204 30.623 10.608 0.144 1.00 55.42 C ATOM 568 CG HIS A 204 30.762 9.433 -0.774 1.00 3.04 C ATOM 569 ND1 HIS A 204 31.219 9.539 -2.071 1.00 12.33 N ATOM 570 CD2 HIS A 204 30.505 8.119 -0.574 1.00 35.23 C ATOM 571 CE1 HIS A 204 31.234 8.342 -2.630 1.00 13.45 C ATOM 572 NE2 HIS A 204 30.805 7.463 -1.742 1.00 53.41 N ATOM 0 H HIS A 204 31.954 9.246 1.885 1.00 41.43 H new ATOM 0 HA HIS A 204 32.603 11.429 0.024 1.00 23.20 H new ATOM 0 HB2 HIS A 204 29.904 10.364 0.926 1.00 55.42 H new ATOM 0 HB3 HIS A 204 30.212 11.449 -0.415 1.00 55.42 H new ATOM 0 HD2 HIS A 204 30.133 7.670 0.335 1.00 35.23 H new ATOM 0 HE1 HIS A 204 31.544 8.120 -3.640 1.00 13.45 H new ATOM 0 HE2 HIS A 204 30.712 6.459 -1.899 1.00 53.41 H new ATOM 579 N ARG A 205 32.631 12.334 2.723 1.00 34.53 N ATOM 580 CA ARG A 205 32.504 13.353 3.757 1.00 53.43 C ATOM 581 C ARG A 205 33.174 14.653 3.323 1.00 43.34 C ATOM 582 O ARG A 205 32.621 15.739 3.503 1.00 65.13 O ATOM 583 CB ARG A 205 33.122 12.863 5.068 1.00 63.44 C ATOM 584 CG ARG A 205 32.547 13.535 6.302 1.00 12.22 C ATOM 585 CD ARG A 205 33.551 13.557 7.444 1.00 53.50 C ATOM 586 NE ARG A 205 33.482 14.799 8.210 1.00 61.41 N ATOM 587 CZ ARG A 205 32.519 15.072 9.084 1.00 21.42 C ATOM 588 NH1 ARG A 205 31.550 14.194 9.302 1.00 53.02 N ATOM 589 NH2 ARG A 205 32.526 16.223 9.742 1.00 13.14 N ATOM 0 H ARG A 205 33.499 11.799 2.762 1.00 34.53 H new ATOM 0 HA ARG A 205 31.442 13.544 3.914 1.00 53.43 H new ATOM 0 HB2 ARG A 205 32.974 11.786 5.149 1.00 63.44 H new ATOM 0 HB3 ARG A 205 34.198 13.035 5.039 1.00 63.44 H new ATOM 0 HG2 ARG A 205 32.251 14.555 6.057 1.00 12.22 H new ATOM 0 HG3 ARG A 205 31.646 13.008 6.618 1.00 12.22 H new ATOM 0 HD2 ARG A 205 33.365 12.712 8.107 1.00 53.50 H new ATOM 0 HD3 ARG A 205 34.557 13.433 7.044 1.00 53.50 H new ATOM 0 HE ARG A 205 34.213 15.495 8.066 1.00 61.41 H new ATOM 0 HH11 ARG A 205 31.543 13.307 8.798 1.00 53.02 H new ATOM 0 HH12 ARG A 205 30.812 14.405 9.973 1.00 53.02 H new ATOM 0 HH21 ARG A 205 33.271 16.900 9.578 1.00 13.14 H new ATOM 0 HH22 ARG A 205 31.786 16.432 10.413 1.00 13.14 H new ATOM 603 N ASP A 206 34.367 14.536 2.749 1.00 33.33 N ATOM 604 CA ASP A 206 35.113 15.701 2.289 1.00 52.14 C ATOM 605 C ASP A 206 34.835 15.975 0.814 1.00 52.23 C ATOM 606 O ASP A 206 35.468 16.836 0.201 1.00 22.32 O ATOM 607 CB ASP A 206 36.612 15.493 2.508 1.00 1.43 C ATOM 608 CG ASP A 206 36.966 15.334 3.974 1.00 64.42 C ATOM 609 OD1 ASP A 206 36.553 16.192 4.781 1.00 25.21 O ATOM 610 OD2 ASP A 206 37.656 14.349 4.313 1.00 73.35 O ATOM 0 H ASP A 206 34.838 13.645 2.591 1.00 33.33 H new ATOM 0 HA ASP A 206 34.786 16.564 2.869 1.00 52.14 H new ATOM 0 HB2 ASP A 206 36.937 14.608 1.961 1.00 1.43 H new ATOM 0 HB3 ASP A 206 37.158 16.341 2.095 1.00 1.43 H new ATOM 615 N HIS A 207 33.885 15.237 0.249 1.00 73.15 N ATOM 616 CA HIS A 207 33.522 15.401 -1.155 1.00 5.00 C ATOM 617 C HIS A 207 32.602 16.603 -1.341 1.00 45.14 C ATOM 618 O HIS A 207 32.185 17.234 -0.370 1.00 25.51 O ATOM 619 CB HIS A 207 32.842 14.136 -1.678 1.00 45.14 C ATOM 620 CG HIS A 207 33.780 12.983 -1.862 1.00 4.41 C ATOM 621 ND1 HIS A 207 33.373 11.747 -2.317 1.00 1.15 N ATOM 622 CD2 HIS A 207 35.114 12.885 -1.652 1.00 50.43 C ATOM 623 CE1 HIS A 207 34.415 10.937 -2.376 1.00 14.22 C ATOM 624 NE2 HIS A 207 35.484 11.603 -1.978 1.00 2.20 N ATOM 0 H HIS A 207 33.352 14.520 0.741 1.00 73.15 H new ATOM 0 HA HIS A 207 34.435 15.574 -1.724 1.00 5.00 H new ATOM 0 HB2 HIS A 207 32.053 13.845 -0.985 1.00 45.14 H new ATOM 0 HB3 HIS A 207 32.362 14.359 -2.631 1.00 45.14 H new ATOM 0 HD2 HIS A 207 35.766 13.669 -1.295 1.00 50.43 H new ATOM 0 HE1 HIS A 207 34.396 9.905 -2.695 1.00 14.22 H new ATOM 0 HE2 HIS A 207 36.430 11.227 -1.922 1.00 2.20 H new ATOM 631 N GLN A 208 32.290 16.915 -2.596 1.00 23.05 N ATOM 632 CA GLN A 208 31.421 18.042 -2.909 1.00 15.10 C ATOM 633 C GLN A 208 29.970 17.590 -3.039 1.00 71.13 C ATOM 634 O GLN A 208 29.691 16.497 -3.534 1.00 2.05 O ATOM 635 CB GLN A 208 31.874 18.720 -4.203 1.00 3.14 C ATOM 636 CG GLN A 208 32.593 20.040 -3.978 1.00 10.03 C ATOM 637 CD GLN A 208 33.920 20.113 -4.708 1.00 1.31 C ATOM 638 OE1 GLN A 208 33.967 20.377 -5.910 1.00 74.52 O ATOM 639 NE2 GLN A 208 35.008 19.879 -3.984 1.00 3.51 N ATOM 0 H GLN A 208 32.627 16.403 -3.411 1.00 23.05 H new ATOM 0 HA GLN A 208 31.488 18.758 -2.090 1.00 15.10 H new ATOM 0 HB2 GLN A 208 32.535 18.044 -4.746 1.00 3.14 H new ATOM 0 HB3 GLN A 208 31.004 18.893 -4.837 1.00 3.14 H new ATOM 0 HG2 GLN A 208 31.954 20.859 -4.310 1.00 10.03 H new ATOM 0 HG3 GLN A 208 32.762 20.180 -2.910 1.00 10.03 H new ATOM 0 HE21 GLN A 208 34.923 19.664 -2.991 1.00 3.51 H new ATOM 0 HE22 GLN A 208 35.929 19.914 -4.421 1.00 3.51 H new ATOM 648 N VAL A 209 29.048 18.437 -2.591 1.00 45.32 N ATOM 649 CA VAL A 209 27.626 18.125 -2.659 1.00 34.35 C ATOM 650 C VAL A 209 26.790 19.393 -2.797 1.00 2.44 C ATOM 651 O VAL A 209 27.330 20.491 -2.928 1.00 13.44 O ATOM 652 CB VAL A 209 27.161 17.351 -1.411 1.00 43.00 C ATOM 653 CG1 VAL A 209 27.942 16.053 -1.267 1.00 12.10 C ATOM 654 CG2 VAL A 209 27.307 18.212 -0.166 1.00 35.35 C ATOM 0 H VAL A 209 29.261 19.345 -2.177 1.00 45.32 H new ATOM 0 HA VAL A 209 27.481 17.500 -3.540 1.00 34.35 H new ATOM 0 HB VAL A 209 26.107 17.101 -1.530 1.00 43.00 H new ATOM 0 HG11 VAL A 209 27.600 15.519 -0.380 1.00 12.10 H new ATOM 0 HG12 VAL A 209 27.782 15.432 -2.148 1.00 12.10 H new ATOM 0 HG13 VAL A 209 29.004 16.277 -1.169 1.00 12.10 H new ATOM 0 HG21 VAL A 209 26.974 17.650 0.706 1.00 35.35 H new ATOM 0 HG22 VAL A 209 28.352 18.494 -0.039 1.00 35.35 H new ATOM 0 HG23 VAL A 209 26.699 19.111 -0.272 1.00 35.35 H new ATOM 664 N ALA A 210 25.472 19.233 -2.765 1.00 11.03 N ATOM 665 CA ALA A 210 24.562 20.366 -2.883 1.00 34.31 C ATOM 666 C ALA A 210 23.367 20.209 -1.949 1.00 55.32 C ATOM 667 O ALA A 210 23.348 19.327 -1.092 1.00 34.01 O ATOM 668 CB ALA A 210 24.093 20.517 -4.323 1.00 4.23 C ATOM 0 H ALA A 210 25.010 18.330 -2.658 1.00 11.03 H new ATOM 0 HA ALA A 210 25.102 21.267 -2.591 1.00 34.31 H new ATOM 0 HB1 ALA A 210 23.414 21.367 -4.397 1.00 4.23 H new ATOM 0 HB2 ALA A 210 24.954 20.683 -4.971 1.00 4.23 H new ATOM 0 HB3 ALA A 210 23.575 19.610 -4.634 1.00 4.23 H new ATOM 674 N ALA A 211 22.371 21.073 -2.121 1.00 21.32 N ATOM 675 CA ALA A 211 21.171 21.029 -1.294 1.00 4.54 C ATOM 676 C ALA A 211 19.925 21.344 -2.116 1.00 3.04 C ATOM 677 O ALA A 211 19.993 21.472 -3.338 1.00 42.32 O ATOM 678 CB ALA A 211 21.297 22.002 -0.130 1.00 43.41 C ATOM 0 H ALA A 211 22.372 21.811 -2.825 1.00 21.32 H new ATOM 0 HA ALA A 211 21.068 20.018 -0.900 1.00 4.54 H new ATOM 0 HB1 ALA A 211 20.394 21.959 0.479 1.00 43.41 H new ATOM 0 HB2 ALA A 211 22.159 21.731 0.479 1.00 43.41 H new ATOM 0 HB3 ALA A 211 21.428 23.014 -0.514 1.00 43.41 H new ATOM 684 N LEU A 212 18.790 21.465 -1.437 1.00 51.51 N ATOM 685 CA LEU A 212 17.528 21.763 -2.105 1.00 24.21 C ATOM 686 C LEU A 212 16.853 22.979 -1.479 1.00 3.21 C ATOM 687 O LEU A 212 16.315 22.903 -0.375 1.00 23.22 O ATOM 688 CB LEU A 212 16.593 20.554 -2.033 1.00 41.32 C ATOM 689 CG LEU A 212 15.468 20.513 -3.068 1.00 62.41 C ATOM 690 CD1 LEU A 212 15.816 19.554 -4.196 1.00 40.51 C ATOM 691 CD2 LEU A 212 14.154 20.113 -2.412 1.00 31.15 C ATOM 0 H LEU A 212 18.717 21.361 -0.425 1.00 51.51 H new ATOM 0 HA LEU A 212 17.743 21.988 -3.150 1.00 24.21 H new ATOM 0 HB2 LEU A 212 17.192 19.650 -2.141 1.00 41.32 H new ATOM 0 HB3 LEU A 212 16.147 20.524 -1.039 1.00 41.32 H new ATOM 0 HG LEU A 212 15.351 21.511 -3.490 1.00 62.41 H new ATOM 0 HD11 LEU A 212 15.004 19.538 -4.923 1.00 40.51 H new ATOM 0 HD12 LEU A 212 16.733 19.884 -4.684 1.00 40.51 H new ATOM 0 HD13 LEU A 212 15.960 18.553 -3.791 1.00 40.51 H new ATOM 0 HD21 LEU A 212 13.365 20.089 -3.163 1.00 31.15 H new ATOM 0 HD22 LEU A 212 14.257 19.125 -1.963 1.00 31.15 H new ATOM 0 HD23 LEU A 212 13.898 20.838 -1.639 1.00 31.15 H new ATOM 703 N SER A 213 16.886 24.100 -2.193 1.00 71.41 N ATOM 704 CA SER A 213 16.280 25.334 -1.707 1.00 32.02 C ATOM 705 C SER A 213 14.956 25.604 -2.415 1.00 13.25 C ATOM 706 O SER A 213 14.701 25.080 -3.498 1.00 4.21 O ATOM 707 CB SER A 213 17.233 26.512 -1.917 1.00 24.02 C ATOM 708 OG SER A 213 18.123 26.264 -2.991 1.00 33.23 O ATOM 0 H SER A 213 17.326 24.179 -3.110 1.00 71.41 H new ATOM 0 HA SER A 213 16.085 25.219 -0.641 1.00 32.02 H new ATOM 0 HB2 SER A 213 16.659 27.417 -2.118 1.00 24.02 H new ATOM 0 HB3 SER A 213 17.801 26.691 -1.004 1.00 24.02 H new ATOM 0 HG SER A 213 18.720 27.033 -3.105 1.00 33.23 H new ATOM 714 N GLU A 214 14.116 26.426 -1.791 1.00 65.15 N ATOM 715 CA GLU A 214 12.817 26.766 -2.362 1.00 25.30 C ATOM 716 C GLU A 214 12.941 27.934 -3.335 1.00 54.44 C ATOM 717 O GLU A 214 12.109 28.101 -4.228 1.00 1.24 O ATOM 718 CB GLU A 214 11.824 27.115 -1.251 1.00 22.10 C ATOM 719 CG GLU A 214 11.295 25.902 -0.505 1.00 74.32 C ATOM 720 CD GLU A 214 10.310 26.273 0.587 1.00 4.33 C ATOM 721 OE1 GLU A 214 9.720 27.370 0.505 1.00 10.51 O ATOM 722 OE2 GLU A 214 10.129 25.466 1.523 1.00 4.33 O ATOM 0 H GLU A 214 14.311 26.868 -0.892 1.00 65.15 H new ATOM 0 HA GLU A 214 12.449 25.898 -2.909 1.00 25.30 H new ATOM 0 HB2 GLU A 214 12.307 27.786 -0.541 1.00 22.10 H new ATOM 0 HB3 GLU A 214 10.985 27.660 -1.683 1.00 22.10 H new ATOM 0 HG2 GLU A 214 10.811 25.228 -1.212 1.00 74.32 H new ATOM 0 HG3 GLU A 214 12.131 25.357 -0.066 1.00 74.32 H new TER 729 GLU A 214 HETATM 730 ZN ZN A1175 24.539 4.869 1.476 1.00 44.14 ZN HETATM 731 ZN ZN A1187 31.385 11.433 -2.909 1.00 12.33 ZN