USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 4 SER OG : rot 28:sc= 0.0966 USER MOD Single : A 8 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.13) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0882 USER MOD Single : A 27 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.047) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= 1.23 (180deg=0.0944) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -150:sc= 0.342 USER MOD Single : A 42 TYR OH : rot 151:sc= 0.227 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 1.17 (180deg=1.07) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= 1.14 (180deg=0.798) USER MOD Single : A 61 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.39) USER MOD Single : A 63 SER OG : rot 2:sc= 0.543 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.35 USER MOD Single : A 67 MET CE :methyl -161:sc= -0.168 (180deg=-0.634) USER MOD Single : A 69 THR OG1 : rot -73:sc= 0.507 USER MOD Single : A 71 SER OG : rot 160:sc= 0.0256 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 7.322 -5.159 2.150 1.00 71.02 N ATOM 39 CA SER A 4 6.987 -6.207 3.096 1.00 42.34 C ATOM 40 C SER A 4 8.173 -6.468 4.013 1.00 25.41 C ATOM 41 O SER A 4 9.170 -7.061 3.599 1.00 72.11 O ATOM 42 CB SER A 4 6.594 -7.491 2.357 1.00 74.12 C ATOM 43 OG SER A 4 5.529 -7.250 1.447 1.00 34.13 O ATOM 0 HA SER A 4 6.136 -5.883 3.696 1.00 42.34 H new ATOM 0 HB2 SER A 4 7.456 -7.883 1.817 1.00 74.12 H new ATOM 0 HB3 SER A 4 6.296 -8.253 3.077 1.00 74.12 H new ATOM 0 HG SER A 4 5.562 -6.318 1.144 1.00 34.13 H new ATOM 49 N GLU A 5 8.076 -5.987 5.241 1.00 73.11 N ATOM 50 CA GLU A 5 9.147 -6.151 6.213 1.00 2.22 C ATOM 51 C GLU A 5 9.143 -7.573 6.748 1.00 63.11 C ATOM 52 O GLU A 5 8.274 -7.945 7.538 1.00 33.12 O ATOM 53 CB GLU A 5 9.004 -5.160 7.378 1.00 74.03 C ATOM 54 CG GLU A 5 9.013 -3.689 6.972 1.00 3.23 C ATOM 55 CD GLU A 5 7.728 -3.249 6.296 1.00 61.35 C ATOM 56 OE1 GLU A 5 7.782 -2.802 5.131 1.00 21.51 O ATOM 57 OE2 GLU A 5 6.655 -3.358 6.926 1.00 22.25 O1- ATOM 0 H GLU A 5 7.264 -5.478 5.591 1.00 73.11 H new ATOM 0 HA GLU A 5 10.092 -5.948 5.710 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.073 -5.371 7.904 1.00 74.03 H new ATOM 0 HB3 GLU A 5 9.816 -5.332 8.085 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.179 -3.075 7.857 1.00 3.23 H new ATOM 0 HG3 GLU A 5 9.851 -3.510 6.298 1.00 3.23 H new ATOM 64 N GLY A 6 10.100 -8.369 6.300 1.00 13.15 N ATOM 65 CA GLY A 6 10.167 -9.749 6.722 1.00 42.42 C ATOM 66 C GLY A 6 11.582 -10.276 6.755 1.00 52.24 C ATOM 67 O GLY A 6 12.407 -9.927 5.908 1.00 3.43 O ATOM 0 H GLY A 6 10.832 -8.083 5.650 1.00 13.15 H new ATOM 0 HA2 GLY A 6 9.724 -9.844 7.713 1.00 42.42 H new ATOM 0 HA3 GLY A 6 9.570 -10.362 6.046 1.00 42.42 H new ATOM 71 N CYS A 7 11.862 -11.111 7.738 1.00 10.20 N ATOM 72 CA CYS A 7 13.172 -11.720 7.884 1.00 70.11 C ATOM 73 C CYS A 7 13.208 -13.071 7.173 1.00 4.44 C ATOM 74 O CYS A 7 12.180 -13.733 7.036 1.00 72.14 O ATOM 75 CB CYS A 7 13.505 -11.886 9.366 1.00 4.33 C ATOM 76 SG CYS A 7 13.492 -10.323 10.307 1.00 21.12 S ATOM 0 H CYS A 7 11.191 -11.386 8.456 1.00 10.20 H new ATOM 0 HA CYS A 7 13.919 -11.071 7.427 1.00 70.11 H new ATOM 0 HB2 CYS A 7 12.789 -12.574 9.814 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.489 -12.346 9.458 1.00 4.33 H new ATOM 81 N GLN A 8 14.388 -13.472 6.717 1.00 15.12 N ATOM 82 CA GLN A 8 14.536 -14.721 5.978 1.00 64.14 C ATOM 83 C GLN A 8 14.759 -15.907 6.919 1.00 64.22 C ATOM 84 O GLN A 8 14.803 -15.740 8.141 1.00 1.10 O ATOM 85 CB GLN A 8 15.669 -14.596 4.946 1.00 50.41 C ATOM 86 CG GLN A 8 16.922 -13.891 5.463 1.00 43.35 C ATOM 87 CD GLN A 8 17.815 -14.765 6.330 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.449 -14.276 7.265 1.00 41.23 O ATOM 89 NE2 GLN A 8 17.905 -16.047 6.007 1.00 23.50 N ATOM 0 H GLN A 8 15.256 -12.952 6.845 1.00 15.12 H new ATOM 0 HA GLN A 8 13.607 -14.914 5.442 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.944 -15.594 4.604 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.294 -14.054 4.078 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.500 -13.531 4.612 1.00 43.35 H new ATOM 0 HG3 GLN A 8 16.622 -13.015 6.038 1.00 43.35 H new ATOM 0 HE21 GLN A 8 17.363 -16.415 5.225 1.00 23.50 H new ATOM 0 HE22 GLN A 8 18.516 -16.666 6.540 1.00 23.50 H new ATOM 98 N ILE A 9 14.918 -17.095 6.341 1.00 54.54 N ATOM 99 CA ILE A 9 14.965 -18.336 7.111 1.00 64.42 C ATOM 100 C ILE A 9 16.391 -18.660 7.555 1.00 73.43 C ATOM 101 O ILE A 9 17.260 -18.964 6.731 1.00 71.43 O ATOM 102 CB ILE A 9 14.413 -19.525 6.286 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.050 -19.178 5.683 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.297 -20.776 7.149 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.486 -20.264 4.790 1.00 23.41 C ATOM 0 H ILE A 9 15.017 -17.225 5.334 1.00 54.54 H new ATOM 0 HA ILE A 9 14.341 -18.187 7.992 1.00 64.42 H new ATOM 0 HB ILE A 9 15.115 -19.725 5.476 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.345 -18.981 6.490 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.141 -18.257 5.107 1.00 1.03 H new ATOM 0 HG21 ILE A 9 13.907 -21.598 6.548 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.280 -21.044 7.536 1.00 60.45 H new ATOM 0 HG23 ILE A 9 13.620 -20.582 7.981 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.519 -19.948 4.399 1.00 23.41 H new ATOM 0 HD12 ILE A 9 13.171 -20.446 3.962 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.362 -21.181 5.366 1.00 23.41 H new ATOM 117 N ILE A 10 16.618 -18.591 8.862 1.00 1.44 N ATOM 118 CA ILE A 10 17.927 -18.891 9.441 1.00 53.14 C ATOM 119 C ILE A 10 18.219 -20.388 9.353 1.00 15.30 C ATOM 120 O ILE A 10 17.309 -21.213 9.447 1.00 44.43 O ATOM 121 CB ILE A 10 18.002 -18.456 10.926 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.529 -17.009 11.093 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.426 -18.605 11.460 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.524 -16.544 12.537 1.00 42.33 C ATOM 0 H ILE A 10 15.909 -18.328 9.546 1.00 1.44 H new ATOM 0 HA ILE A 10 18.668 -18.332 8.870 1.00 53.14 H new ATOM 0 HB ILE A 10 17.342 -19.107 11.500 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.175 -16.353 10.509 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.523 -16.913 10.684 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.457 -18.294 12.504 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.737 -19.647 11.382 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.101 -17.980 10.875 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.179 -15.511 12.585 1.00 42.33 H new ATOM 0 HD12 ILE A 10 16.856 -17.177 13.121 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.533 -16.609 12.944 1.00 42.33 H new ATOM 136 N HIS A 11 19.484 -20.734 9.165 1.00 11.24 N ATOM 137 CA HIS A 11 19.894 -22.130 9.120 1.00 24.14 C ATOM 138 C HIS A 11 20.217 -22.635 10.524 1.00 73.03 C ATOM 139 O HIS A 11 20.767 -21.897 11.345 1.00 11.43 O ATOM 140 CB HIS A 11 21.116 -22.312 8.214 1.00 24.23 C ATOM 141 CG HIS A 11 20.846 -22.039 6.765 1.00 51.10 C ATOM 142 ND1 HIS A 11 20.628 -23.034 5.839 1.00 34.40 N ATOM 143 CD2 HIS A 11 20.770 -20.872 6.084 1.00 73.31 C ATOM 144 CE1 HIS A 11 20.431 -22.492 4.652 1.00 41.44 C ATOM 145 NE2 HIS A 11 20.512 -21.181 4.773 1.00 32.35 N ATOM 0 H HIS A 11 20.245 -20.066 9.041 1.00 11.24 H new ATOM 0 HA HIS A 11 19.066 -22.710 8.711 1.00 24.14 H new ATOM 0 HB2 HIS A 11 21.911 -21.650 8.556 1.00 24.23 H new ATOM 0 HB3 HIS A 11 21.484 -23.333 8.319 1.00 24.23 H new ATOM 0 HD2 HIS A 11 20.890 -19.881 6.496 1.00 73.31 H new ATOM 0 HE1 HIS A 11 20.236 -23.031 3.736 1.00 41.44 H new ATOM 0 HE2 HIS A 11 20.401 -20.507 4.015 1.00 32.35 H new ATOM 154 N PRO A 12 19.854 -23.891 10.824 1.00 62.10 N ATOM 155 CA PRO A 12 20.176 -24.529 12.102 1.00 31.33 C ATOM 156 C PRO A 12 21.666 -24.855 12.210 1.00 62.52 C ATOM 157 O PRO A 12 22.213 -25.574 11.373 1.00 11.24 O ATOM 158 CB PRO A 12 19.344 -25.824 12.090 1.00 52.40 C ATOM 159 CG PRO A 12 18.399 -25.683 10.942 1.00 51.45 C ATOM 160 CD PRO A 12 19.087 -24.787 9.955 1.00 4.22 C ATOM 0 HA PRO A 12 19.952 -23.881 12.950 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.982 -26.699 11.967 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.805 -25.952 13.028 1.00 52.40 H new ATOM 0 HG2 PRO A 12 18.174 -26.653 10.499 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.451 -25.253 11.266 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.732 -25.348 9.279 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.374 -24.241 9.336 1.00 4.22 H new ATOM 168 N PRO A 13 22.340 -24.324 13.238 1.00 72.42 N ATOM 169 CA PRO A 13 23.770 -24.512 13.430 1.00 11.03 C ATOM 170 C PRO A 13 24.097 -25.732 14.299 1.00 21.12 C ATOM 171 O PRO A 13 24.166 -26.859 13.805 1.00 10.42 O ATOM 172 CB PRO A 13 24.184 -23.212 14.122 1.00 63.12 C ATOM 173 CG PRO A 13 22.958 -22.727 14.847 1.00 12.24 C ATOM 174 CD PRO A 13 21.767 -23.485 14.298 1.00 11.22 C ATOM 0 HA PRO A 13 24.296 -24.705 12.495 1.00 11.03 H new ATOM 0 HB2 PRO A 13 25.007 -23.383 14.816 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.527 -22.474 13.396 1.00 63.12 H new ATOM 0 HG2 PRO A 13 23.057 -22.895 15.919 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.828 -21.654 14.703 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.287 -24.088 15.069 1.00 11.22 H new ATOM 0 HD3 PRO A 13 21.009 -22.808 13.905 1.00 11.22 H new ATOM 182 N TRP A 14 24.277 -25.501 15.591 1.00 13.53 N ATOM 183 CA TRP A 14 24.553 -26.568 16.538 1.00 55.11 C ATOM 184 C TRP A 14 23.232 -27.100 17.090 1.00 13.40 C ATOM 185 O TRP A 14 22.165 -26.686 16.635 1.00 31.14 O ATOM 186 CB TRP A 14 25.456 -26.058 17.668 1.00 53.25 C ATOM 187 CG TRP A 14 26.447 -27.078 18.154 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.238 -28.053 19.089 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.808 -27.221 17.728 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.383 -28.792 19.265 1.00 11.25 N ATOM 191 CE2 TRP A 14 28.360 -28.301 18.440 1.00 72.24 C ATOM 192 CE3 TRP A 14 28.613 -26.543 16.806 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.678 -28.715 18.264 1.00 61.11 C ATOM 194 CZ3 TRP A 14 29.921 -26.956 16.633 1.00 24.33 C ATOM 195 CH2 TRP A 14 30.441 -28.035 17.357 1.00 71.42 C ATOM 0 H TRP A 14 24.236 -24.572 16.010 1.00 13.53 H new ATOM 0 HA TRP A 14 25.079 -27.379 16.034 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.995 -25.177 17.321 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.833 -25.742 18.505 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.308 -28.218 19.613 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.488 -29.578 19.906 1.00 11.25 H new ATOM 0 HE3 TRP A 14 28.220 -25.712 16.240 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 30.083 -29.544 18.825 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 30.552 -26.437 15.927 1.00 24.33 H new ATOM 0 HH2 TRP A 14 31.466 -28.336 17.196 1.00 71.42 H new ATOM 206 N GLU A 15 23.304 -28.030 18.036 1.00 44.34 N ATOM 207 CA GLU A 15 22.110 -28.619 18.643 1.00 22.34 C ATOM 208 C GLU A 15 21.204 -27.560 19.278 1.00 24.33 C ATOM 209 O GLU A 15 20.047 -27.835 19.588 1.00 3.10 O ATOM 210 CB GLU A 15 22.503 -29.674 19.679 1.00 35.12 C ATOM 211 CG GLU A 15 23.242 -30.859 19.078 1.00 53.31 C ATOM 212 CD GLU A 15 22.418 -31.589 18.033 1.00 41.30 C ATOM 213 OE1 GLU A 15 21.882 -32.673 18.338 1.00 63.35 O ATOM 214 OE2 GLU A 15 22.298 -31.081 16.901 1.00 74.13 O1- ATOM 0 H GLU A 15 24.182 -28.396 18.403 1.00 44.34 H new ATOM 0 HA GLU A 15 21.542 -29.096 17.844 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.131 -29.210 20.440 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.605 -30.032 20.182 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.171 -30.512 18.626 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.514 -31.554 19.872 1.00 53.31 H new ATOM 221 N GLY A 16 21.738 -26.364 19.496 1.00 71.54 N ATOM 222 CA GLY A 16 20.895 -25.239 19.845 1.00 11.25 C ATOM 223 C GLY A 16 20.043 -24.822 18.662 1.00 0.41 C ATOM 224 O GLY A 16 20.466 -24.014 17.833 1.00 33.22 O ATOM 0 H GLY A 16 22.735 -26.155 19.437 1.00 71.54 H new ATOM 0 HA2 GLY A 16 20.254 -25.505 20.686 1.00 11.25 H new ATOM 0 HA3 GLY A 16 21.513 -24.401 20.168 1.00 11.25 H new ATOM 228 N GLY A 17 18.849 -25.393 18.579 1.00 23.54 N ATOM 229 CA GLY A 17 17.999 -25.186 17.428 1.00 23.21 C ATOM 230 C GLY A 17 17.060 -24.012 17.591 1.00 4.21 C ATOM 231 O GLY A 17 17.166 -23.241 18.547 1.00 73.45 O ATOM 0 H GLY A 17 18.453 -26.001 19.296 1.00 23.54 H new ATOM 0 HA2 GLY A 17 18.621 -25.027 16.547 1.00 23.21 H new ATOM 0 HA3 GLY A 17 17.415 -26.089 17.247 1.00 23.21 H new ATOM 235 N ILE A 18 16.121 -23.889 16.666 1.00 13.11 N ATOM 236 CA ILE A 18 15.233 -22.746 16.643 1.00 4.12 C ATOM 237 C ILE A 18 13.787 -23.141 16.891 1.00 21.53 C ATOM 238 O ILE A 18 13.284 -24.128 16.353 1.00 64.33 O ATOM 239 CB ILE A 18 15.372 -21.957 15.324 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.667 -21.156 15.379 1.00 33.34 C ATOM 241 CG2 ILE A 18 14.175 -21.040 15.087 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.907 -20.284 14.165 1.00 70.34 C ATOM 0 H ILE A 18 15.957 -24.568 15.923 1.00 13.11 H new ATOM 0 HA ILE A 18 15.534 -22.093 17.462 1.00 4.12 H new ATOM 0 HB ILE A 18 15.400 -22.656 14.488 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.654 -20.526 16.269 1.00 33.34 H new ATOM 0 HG13 ILE A 18 17.504 -21.846 15.489 1.00 33.34 H new ATOM 0 HG21 ILE A 18 14.309 -20.501 14.149 1.00 50.32 H new ATOM 0 HG22 ILE A 18 13.264 -21.637 15.036 1.00 50.32 H new ATOM 0 HG23 ILE A 18 14.095 -20.326 15.907 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.849 -19.748 14.283 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.954 -20.908 13.272 1.00 70.34 H new ATOM 0 HD13 ILE A 18 16.091 -19.568 14.065 1.00 70.34 H new ATOM 254 N ARG A 19 13.146 -22.347 17.724 1.00 44.43 N ATOM 255 CA ARG A 19 11.778 -22.560 18.132 1.00 12.34 C ATOM 256 C ARG A 19 10.926 -21.394 17.644 1.00 54.31 C ATOM 257 O ARG A 19 11.406 -20.267 17.585 1.00 14.40 O ATOM 258 CB ARG A 19 11.739 -22.639 19.655 1.00 21.13 C ATOM 259 CG ARG A 19 10.403 -23.090 20.230 1.00 74.22 C ATOM 260 CD ARG A 19 10.097 -24.540 19.894 1.00 2.13 C ATOM 261 NE ARG A 19 8.769 -24.931 20.367 1.00 34.34 N ATOM 262 CZ ARG A 19 8.401 -26.186 20.622 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.268 -27.183 20.488 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 7.163 -26.437 21.030 1.00 45.00 N ATOM 0 H ARG A 19 13.572 -21.520 18.143 1.00 44.43 H new ATOM 0 HA ARG A 19 11.388 -23.485 17.707 1.00 12.34 H new ATOM 0 HB2 ARG A 19 12.515 -23.327 19.990 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.984 -21.658 20.063 1.00 21.13 H new ATOM 0 HG2 ARG A 19 10.413 -22.964 21.313 1.00 74.22 H new ATOM 0 HG3 ARG A 19 9.608 -22.453 19.842 1.00 74.22 H new ATOM 0 HD2 ARG A 19 10.158 -24.685 18.815 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.850 -25.186 20.345 1.00 2.13 H new ATOM 0 HE ARG A 19 8.079 -24.194 20.511 1.00 34.34 H new ATOM 0 HH11 ARG A 19 10.224 -26.991 20.188 1.00 45.21 H new ATOM 0 HH12 ARG A 19 8.978 -28.141 20.685 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.499 -25.671 21.147 1.00 45.00 H new ATOM 0 HH22 ARG A 19 6.875 -27.396 21.227 1.00 45.00 H new ATOM 278 N TYR A 20 9.682 -21.652 17.282 1.00 74.35 N ATOM 279 CA TYR A 20 8.803 -20.582 16.831 1.00 40.55 C ATOM 280 C TYR A 20 7.735 -20.312 17.885 1.00 34.25 C ATOM 281 O TYR A 20 7.784 -20.886 18.973 1.00 72.21 O ATOM 282 CB TYR A 20 8.162 -20.958 15.494 1.00 12.44 C ATOM 283 CG TYR A 20 9.175 -21.340 14.435 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.456 -22.673 14.166 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.853 -20.368 13.706 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.385 -23.029 13.207 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.785 -20.716 12.744 1.00 52.11 C ATOM 288 CZ TYR A 20 11.045 -22.048 12.496 1.00 34.52 C ATOM 289 OH TYR A 20 11.970 -22.401 11.535 1.00 22.43 O ATOM 0 H TYR A 20 9.259 -22.580 17.290 1.00 74.35 H new ATOM 0 HA TYR A 20 9.387 -19.673 16.687 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.476 -21.791 15.649 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.568 -20.118 15.134 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.939 -23.445 14.716 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.648 -19.324 13.894 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.594 -24.071 13.015 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.306 -19.949 12.190 1.00 52.11 H new ATOM 0 HH TYR A 20 12.343 -21.592 11.127 1.00 22.43 H new ATOM 299 N ARG A 21 6.764 -19.464 17.570 1.00 4.04 N ATOM 300 CA ARG A 21 5.723 -19.134 18.539 1.00 43.13 C ATOM 301 C ARG A 21 4.466 -19.955 18.286 1.00 4.10 C ATOM 302 O ARG A 21 3.804 -20.402 19.224 1.00 52.41 O ATOM 303 CB ARG A 21 5.397 -17.636 18.520 1.00 74.30 C ATOM 304 CG ARG A 21 6.583 -16.753 18.878 1.00 52.33 C ATOM 305 CD ARG A 21 6.153 -15.367 19.341 1.00 1.31 C ATOM 306 NE ARG A 21 5.437 -14.607 18.311 1.00 72.30 N ATOM 307 CZ ARG A 21 5.474 -13.273 18.223 1.00 63.53 C ATOM 308 NH1 ARG A 21 6.221 -12.572 19.069 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.771 -12.640 17.294 1.00 24.04 N ATOM 0 H ARG A 21 6.674 -18.998 16.667 1.00 4.04 H new ATOM 0 HA ARG A 21 6.105 -19.383 19.529 1.00 43.13 H new ATOM 0 HB2 ARG A 21 5.037 -17.363 17.528 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.584 -17.440 19.219 1.00 74.30 H new ATOM 0 HG2 ARG A 21 7.165 -17.232 19.665 1.00 52.33 H new ATOM 0 HG3 ARG A 21 7.237 -16.657 18.011 1.00 52.33 H new ATOM 0 HD2 ARG A 21 5.514 -15.467 20.219 1.00 1.31 H new ATOM 0 HD3 ARG A 21 7.034 -14.805 19.650 1.00 1.31 H new ATOM 0 HE ARG A 21 4.883 -15.122 17.627 1.00 72.30 H new ATOM 0 HH11 ARG A 21 6.766 -13.051 19.786 1.00 42.32 H new ATOM 0 HH12 ARG A 21 6.249 -11.555 19.002 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.196 -13.171 16.639 1.00 24.04 H new ATOM 0 HH22 ARG A 21 4.805 -11.622 17.234 1.00 24.04 H new ATOM 323 N GLY A 22 4.144 -20.161 17.019 1.00 11.55 N ATOM 324 CA GLY A 22 2.980 -20.950 16.672 1.00 50.05 C ATOM 325 C GLY A 22 3.032 -21.462 15.251 1.00 71.12 C ATOM 326 O GLY A 22 2.099 -21.260 14.477 1.00 54.54 O ATOM 0 H GLY A 22 4.668 -19.796 16.224 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.900 -21.794 17.357 1.00 50.05 H new ATOM 0 HA3 GLY A 22 2.083 -20.346 16.805 1.00 50.05 H new ATOM 330 N LEU A 23 4.124 -22.122 14.903 1.00 51.01 N ATOM 331 CA LEU A 23 4.281 -22.673 13.568 1.00 52.44 C ATOM 332 C LEU A 23 4.381 -24.189 13.630 1.00 5.12 C ATOM 333 O LEU A 23 5.304 -24.738 14.230 1.00 0.51 O ATOM 334 CB LEU A 23 5.508 -22.072 12.876 1.00 44.13 C ATOM 335 CG LEU A 23 5.422 -20.565 12.612 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.700 -20.057 11.966 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.216 -20.239 11.740 1.00 3.33 C ATOM 0 H LEU A 23 4.914 -22.289 15.526 1.00 51.01 H new ATOM 0 HA LEU A 23 3.402 -22.412 12.979 1.00 52.44 H new ATOM 0 HB2 LEU A 23 6.387 -22.270 13.489 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.660 -22.585 11.926 1.00 44.13 H new ATOM 0 HG LEU A 23 5.299 -20.060 13.570 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.616 -18.985 11.788 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.544 -20.250 12.628 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.858 -20.571 11.018 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.174 -19.164 11.565 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.305 -20.759 10.786 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.305 -20.561 12.244 1.00 3.33 H new ATOM 349 N THR A 24 3.398 -24.854 13.038 1.00 45.31 N ATOM 350 CA THR A 24 3.357 -26.308 13.006 1.00 75.32 C ATOM 351 C THR A 24 4.269 -26.842 11.894 1.00 64.12 C ATOM 352 O THR A 24 4.923 -26.059 11.191 1.00 23.12 O ATOM 353 CB THR A 24 1.903 -26.813 12.817 1.00 73.21 C ATOM 354 OG1 THR A 24 1.824 -28.232 13.025 1.00 0.00 O ATOM 355 CG2 THR A 24 1.379 -26.466 11.429 1.00 12.52 C ATOM 0 H THR A 24 2.612 -24.404 12.570 1.00 45.31 H new ATOM 0 HA THR A 24 3.722 -26.685 13.961 1.00 75.32 H new ATOM 0 HB THR A 24 1.282 -26.312 13.560 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.898 -28.530 12.903 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.358 -26.832 11.324 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.393 -25.384 11.295 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.011 -26.933 10.674 1.00 12.52 H new ATOM 363 N ARG A 25 4.315 -28.166 11.740 1.00 3.14 N ATOM 364 CA ARG A 25 5.211 -28.797 10.772 1.00 73.32 C ATOM 365 C ARG A 25 4.798 -28.470 9.338 1.00 50.00 C ATOM 366 O ARG A 25 3.851 -27.713 9.113 1.00 5.42 O ATOM 367 CB ARG A 25 5.214 -30.317 10.970 1.00 33.05 C ATOM 368 CG ARG A 25 5.835 -30.770 12.279 1.00 24.32 C ATOM 369 CD ARG A 25 7.303 -30.391 12.351 1.00 10.33 C ATOM 370 NE ARG A 25 7.964 -30.975 13.514 1.00 33.14 N ATOM 371 CZ ARG A 25 9.173 -30.614 13.939 1.00 2.41 C ATOM 372 NH1 ARG A 25 9.820 -29.624 13.338 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 9.732 -31.231 14.970 1.00 62.54 N ATOM 0 H ARG A 25 3.743 -28.821 12.273 1.00 3.14 H new ATOM 0 HA ARG A 25 6.213 -28.403 10.940 1.00 73.32 H new ATOM 0 HB2 ARG A 25 4.188 -30.681 10.922 1.00 33.05 H new ATOM 0 HB3 ARG A 25 5.755 -30.779 10.144 1.00 33.05 H new ATOM 0 HG2 ARG A 25 5.299 -30.319 13.114 1.00 24.32 H new ATOM 0 HG3 ARG A 25 5.730 -31.850 12.379 1.00 24.32 H new ATOM 0 HD2 ARG A 25 7.808 -30.722 11.443 1.00 10.33 H new ATOM 0 HD3 ARG A 25 7.395 -29.306 12.389 1.00 10.33 H new ATOM 0 HE ARG A 25 7.471 -31.702 14.032 1.00 33.14 H new ATOM 0 HH11 ARG A 25 9.391 -29.139 12.550 1.00 13.30 H new ATOM 0 HH12 ARG A 25 10.746 -29.348 13.664 1.00 13.30 H new ATOM 0 HH21 ARG A 25 9.236 -31.987 15.442 1.00 62.54 H new ATOM 0 HH22 ARG A 25 10.658 -30.950 15.291 1.00 62.54 H new ATOM 387 N ASP A 26 5.494 -29.086 8.378 1.00 11.55 N ATOM 388 CA ASP A 26 5.303 -28.830 6.938 1.00 13.41 C ATOM 389 C ASP A 26 5.704 -27.404 6.546 1.00 2.54 C ATOM 390 O ASP A 26 6.204 -27.170 5.449 1.00 54.04 O ATOM 391 CB ASP A 26 3.861 -29.103 6.500 1.00 51.21 C ATOM 392 CG ASP A 26 3.614 -28.703 5.056 1.00 14.41 C ATOM 393 OD1 ASP A 26 4.250 -29.289 4.153 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.781 -27.804 4.815 1.00 15.44 O1- ATOM 0 H ASP A 26 6.213 -29.783 8.575 1.00 11.55 H new ATOM 0 HA ASP A 26 5.963 -29.524 6.417 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.640 -30.163 6.624 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.176 -28.556 7.149 1.00 51.21 H new ATOM 399 N GLN A 27 5.480 -26.458 7.439 1.00 2.23 N ATOM 400 CA GLN A 27 5.807 -25.065 7.199 1.00 4.51 C ATOM 401 C GLN A 27 7.289 -24.810 7.447 1.00 2.23 C ATOM 402 O GLN A 27 8.076 -25.751 7.526 1.00 21.25 O ATOM 403 CB GLN A 27 4.959 -24.179 8.113 1.00 41.02 C ATOM 404 CG GLN A 27 3.464 -24.324 7.872 1.00 12.33 C ATOM 405 CD GLN A 27 2.622 -23.598 8.904 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.535 -23.112 8.599 1.00 70.15 O ATOM 407 NE2 GLN A 27 3.100 -23.546 10.138 1.00 42.30 N ATOM 0 H GLN A 27 5.065 -26.635 8.354 1.00 2.23 H new ATOM 0 HA GLN A 27 5.590 -24.825 6.158 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.178 -24.425 9.152 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.245 -23.138 7.965 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.223 -23.941 6.880 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.202 -25.382 7.877 1.00 12.33 H new ATOM 0 HE21 GLN A 27 4.007 -23.961 10.352 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.561 -23.091 10.875 1.00 42.30 H new ATOM 416 N VAL A 28 7.644 -23.524 7.535 1.00 40.51 N ATOM 417 CA VAL A 28 9.008 -23.052 7.833 1.00 21.23 C ATOM 418 C VAL A 28 10.069 -23.656 6.905 1.00 20.45 C ATOM 419 O VAL A 28 11.266 -23.606 7.197 1.00 35.23 O ATOM 420 CB VAL A 28 9.404 -23.266 9.321 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.320 -22.724 10.237 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.702 -24.724 9.654 1.00 12.44 C ATOM 0 H VAL A 28 6.979 -22.762 7.399 1.00 40.51 H new ATOM 0 HA VAL A 28 8.981 -21.979 7.644 1.00 21.23 H new ATOM 0 HB VAL A 28 10.329 -22.713 9.484 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.610 -22.880 11.276 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.188 -21.658 10.053 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.383 -23.245 10.040 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.972 -24.809 10.707 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.818 -25.330 9.456 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.529 -25.076 9.038 1.00 12.44 H new ATOM 432 N LYS A 29 9.631 -24.183 5.770 1.00 1.44 N ATOM 433 CA LYS A 29 10.547 -24.746 4.790 1.00 53.22 C ATOM 434 C LYS A 29 10.576 -23.881 3.536 1.00 71.12 C ATOM 435 O LYS A 29 11.532 -23.923 2.764 1.00 33.02 O ATOM 436 CB LYS A 29 10.148 -26.185 4.435 1.00 54.41 C ATOM 437 CG LYS A 29 8.854 -26.297 3.637 1.00 70.52 C ATOM 438 CD LYS A 29 8.417 -27.746 3.474 1.00 33.02 C ATOM 439 CE LYS A 29 7.198 -27.871 2.569 1.00 11.13 C ATOM 440 NZ LYS A 29 6.542 -29.201 2.697 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.647 -24.232 5.506 1.00 1.44 H new ATOM 0 HA LYS A 29 11.546 -24.766 5.227 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.955 -26.643 3.863 1.00 54.41 H new ATOM 0 HB3 LYS A 29 10.044 -26.759 5.356 1.00 54.41 H new ATOM 0 HG2 LYS A 29 8.067 -25.734 4.139 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.992 -25.846 2.654 1.00 70.52 H new ATOM 0 HD2 LYS A 29 9.239 -28.329 3.059 1.00 33.02 H new ATOM 0 HD3 LYS A 29 8.188 -28.169 4.452 1.00 33.02 H new ATOM 0 HE2 LYS A 29 6.481 -27.088 2.816 1.00 11.13 H new ATOM 0 HE3 LYS A 29 7.498 -27.713 1.533 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 6.516 -29.666 1.767 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 7.080 -29.791 3.364 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 5.572 -29.077 3.050 1.00 21.55 H new ATOM 454 N ALA A 30 9.523 -23.098 3.336 1.00 52.32 N ATOM 455 CA ALA A 30 9.430 -22.247 2.161 1.00 14.13 C ATOM 456 C ALA A 30 8.804 -20.897 2.492 1.00 61.32 C ATOM 457 O ALA A 30 8.385 -20.162 1.598 1.00 75.11 O ATOM 458 CB ALA A 30 8.637 -22.951 1.080 1.00 4.23 C ATOM 0 H ALA A 30 8.726 -23.036 3.970 1.00 52.32 H new ATOM 0 HA ALA A 30 10.440 -22.056 1.799 1.00 14.13 H new ATOM 0 HB1 ALA A 30 8.570 -22.309 0.201 1.00 4.23 H new ATOM 0 HB2 ALA A 30 9.135 -23.883 0.812 1.00 4.23 H new ATOM 0 HB3 ALA A 30 7.634 -23.169 1.448 1.00 4.23 H new ATOM 464 N ILE A 31 8.749 -20.565 3.775 1.00 25.12 N ATOM 465 CA ILE A 31 8.236 -19.266 4.194 1.00 40.14 C ATOM 466 C ILE A 31 9.258 -18.187 3.861 1.00 74.23 C ATOM 467 O ILE A 31 10.272 -18.056 4.538 1.00 4.24 O ATOM 468 CB ILE A 31 7.914 -19.227 5.705 1.00 34.44 C ATOM 469 CG1 ILE A 31 6.884 -20.307 6.054 1.00 11.21 C ATOM 470 CG2 ILE A 31 7.403 -17.845 6.105 1.00 41.23 C ATOM 471 CD1 ILE A 31 6.513 -20.344 7.520 1.00 3.32 C ATOM 0 H ILE A 31 9.050 -21.171 4.538 1.00 25.12 H new ATOM 0 HA ILE A 31 7.306 -19.086 3.655 1.00 40.14 H new ATOM 0 HB ILE A 31 8.828 -19.428 6.264 1.00 34.44 H new ATOM 0 HG12 ILE A 31 5.982 -20.140 5.464 1.00 11.21 H new ATOM 0 HG13 ILE A 31 7.279 -21.281 5.764 1.00 11.21 H new ATOM 0 HG21 ILE A 31 7.181 -17.834 7.172 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.165 -17.098 5.885 1.00 41.23 H new ATOM 0 HG23 ILE A 31 6.497 -17.615 5.543 1.00 41.23 H new ATOM 0 HD11 ILE A 31 5.780 -21.133 7.690 1.00 3.32 H new ATOM 0 HD12 ILE A 31 7.404 -20.542 8.116 1.00 3.32 H new ATOM 0 HD13 ILE A 31 6.087 -19.384 7.812 1.00 3.32 H new ATOM 483 N ASN A 32 8.993 -17.439 2.798 1.00 72.34 N ATOM 484 CA ASN A 32 9.955 -16.470 2.278 1.00 15.12 C ATOM 485 C ASN A 32 10.349 -15.434 3.322 1.00 73.04 C ATOM 486 O ASN A 32 11.537 -15.188 3.544 1.00 13.03 O ATOM 487 CB ASN A 32 9.400 -15.772 1.034 1.00 71.30 C ATOM 488 CG ASN A 32 9.306 -16.706 -0.152 1.00 3.15 C ATOM 489 OD1 ASN A 32 8.283 -17.358 -0.367 1.00 51.12 O ATOM 490 ND2 ASN A 32 10.374 -16.776 -0.929 1.00 22.03 N ATOM 0 H ASN A 32 8.118 -17.483 2.276 1.00 72.34 H new ATOM 0 HA ASN A 32 10.852 -17.027 2.009 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.412 -15.369 1.256 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.039 -14.927 0.779 1.00 71.30 H new ATOM 0 HD21 ASN A 32 10.372 -17.388 -1.745 1.00 22.03 H new ATOM 0 HD22 ASN A 32 11.200 -16.218 -0.713 1.00 22.03 H new ATOM 497 N PHE A 33 9.363 -14.830 3.963 1.00 4.32 N ATOM 498 CA PHE A 33 9.630 -13.783 4.936 1.00 60.13 C ATOM 499 C PHE A 33 8.826 -14.007 6.204 1.00 71.25 C ATOM 500 O PHE A 33 7.612 -14.209 6.154 1.00 43.02 O ATOM 501 CB PHE A 33 9.293 -12.405 4.358 1.00 25.12 C ATOM 502 CG PHE A 33 10.060 -12.050 3.117 1.00 51.52 C ATOM 503 CD1 PHE A 33 9.471 -12.170 1.868 1.00 50.10 C ATOM 504 CD2 PHE A 33 11.367 -11.599 3.198 1.00 1.10 C ATOM 505 CE1 PHE A 33 10.169 -11.843 0.722 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.071 -11.271 2.056 1.00 62.54 C ATOM 507 CZ PHE A 33 11.473 -11.394 0.817 1.00 65.33 C ATOM 0 H PHE A 33 8.375 -15.045 3.829 1.00 4.32 H new ATOM 0 HA PHE A 33 10.693 -13.819 5.176 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.227 -12.369 4.135 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.485 -11.648 5.119 1.00 25.12 H new ATOM 0 HD1 PHE A 33 8.454 -12.524 1.790 1.00 50.10 H new ATOM 0 HD2 PHE A 33 11.840 -11.503 4.164 1.00 1.10 H new ATOM 0 HE1 PHE A 33 9.698 -11.938 -0.245 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.089 -10.918 2.132 1.00 62.54 H new ATOM 0 HZ PHE A 33 12.024 -11.140 -0.077 1.00 65.33 H new ATOM 517 N LEU A 34 9.512 -13.985 7.332 1.00 45.21 N ATOM 518 CA LEU A 34 8.856 -14.002 8.625 1.00 44.33 C ATOM 519 C LEU A 34 8.444 -12.579 8.976 1.00 61.32 C ATOM 520 O LEU A 34 9.273 -11.672 8.927 1.00 5.11 O ATOM 521 CB LEU A 34 9.778 -14.570 9.716 1.00 2.10 C ATOM 522 CG LEU A 34 9.995 -16.092 9.699 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.663 -16.823 9.745 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.809 -16.523 8.485 1.00 73.11 C ATOM 0 H LEU A 34 10.531 -13.955 7.378 1.00 45.21 H new ATOM 0 HA LEU A 34 7.980 -14.648 8.571 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.750 -14.085 9.629 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.369 -14.293 10.688 1.00 2.10 H new ATOM 0 HG LEU A 34 10.565 -16.359 10.589 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.838 -17.899 9.732 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.131 -16.553 10.657 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.064 -16.542 8.879 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.944 -17.604 8.503 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.282 -16.238 7.574 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.783 -16.035 8.508 1.00 73.11 H new ATOM 536 N PRO A 35 7.161 -12.367 9.308 1.00 32.22 N ATOM 537 CA PRO A 35 6.609 -11.036 9.588 1.00 5.03 C ATOM 538 C PRO A 35 7.429 -10.256 10.610 1.00 10.23 C ATOM 539 O PRO A 35 7.995 -10.833 11.542 1.00 63.24 O ATOM 540 CB PRO A 35 5.203 -11.326 10.140 1.00 22.10 C ATOM 541 CG PRO A 35 5.175 -12.794 10.411 1.00 24.21 C ATOM 542 CD PRO A 35 6.141 -13.411 9.447 1.00 34.40 C ATOM 0 HA PRO A 35 6.609 -10.413 8.694 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.013 -10.756 11.049 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.434 -11.045 9.421 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.463 -13.006 11.441 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.172 -13.198 10.270 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.561 -14.340 9.832 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.668 -13.646 8.493 1.00 34.40 H new ATOM 550 N VAL A 36 7.489 -8.945 10.422 1.00 60.55 N ATOM 551 CA VAL A 36 8.255 -8.079 11.303 1.00 53.33 C ATOM 552 C VAL A 36 7.747 -8.176 12.746 1.00 1.10 C ATOM 553 O VAL A 36 6.541 -8.325 12.984 1.00 72.31 O ATOM 554 CB VAL A 36 8.230 -6.606 10.818 1.00 4.21 C ATOM 555 CG1 VAL A 36 6.816 -6.048 10.810 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.142 -5.738 11.668 1.00 25.11 C ATOM 0 H VAL A 36 7.013 -8.457 9.663 1.00 60.55 H new ATOM 0 HA VAL A 36 9.289 -8.423 11.276 1.00 53.33 H new ATOM 0 HB VAL A 36 8.601 -6.593 9.793 1.00 4.21 H new ATOM 0 HG11 VAL A 36 6.835 -5.014 10.465 1.00 64.12 H new ATOM 0 HG12 VAL A 36 6.194 -6.643 10.141 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.404 -6.087 11.818 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.106 -4.710 11.307 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.811 -5.770 12.706 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.164 -6.110 11.602 1.00 25.11 H new ATOM 566 N ASP A 37 8.694 -8.128 13.688 1.00 75.53 N ATOM 567 CA ASP A 37 8.421 -8.209 15.128 1.00 0.24 C ATOM 568 C ASP A 37 8.168 -9.648 15.582 1.00 61.43 C ATOM 569 O ASP A 37 8.158 -9.929 16.777 1.00 74.15 O ATOM 570 CB ASP A 37 7.257 -7.302 15.543 1.00 1.03 C ATOM 571 CG ASP A 37 7.069 -7.249 17.048 1.00 73.54 C ATOM 572 OD1 ASP A 37 7.833 -6.529 17.720 1.00 11.24 O ATOM 573 OD2 ASP A 37 6.151 -7.919 17.567 1.00 24.30 O1- ATOM 0 H ASP A 37 9.686 -8.030 13.470 1.00 75.53 H new ATOM 0 HA ASP A 37 9.320 -7.852 15.631 1.00 0.24 H new ATOM 0 HB2 ASP A 37 7.434 -6.294 15.167 1.00 1.03 H new ATOM 0 HB3 ASP A 37 6.338 -7.660 15.078 1.00 1.03 H new ATOM 578 N TYR A 38 7.982 -10.566 14.637 1.00 64.13 N ATOM 579 CA TYR A 38 7.817 -11.971 14.988 1.00 64.04 C ATOM 580 C TYR A 38 9.124 -12.491 15.562 1.00 13.41 C ATOM 581 O TYR A 38 10.166 -12.439 14.907 1.00 72.14 O ATOM 582 CB TYR A 38 7.397 -12.811 13.774 1.00 31.23 C ATOM 583 CG TYR A 38 6.951 -14.216 14.125 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.835 -15.288 14.090 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.636 -14.465 14.492 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.418 -16.568 14.414 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.213 -15.738 14.816 1.00 74.11 C ATOM 588 CZ TYR A 38 6.104 -16.787 14.777 1.00 52.12 C ATOM 589 OH TYR A 38 5.677 -18.057 15.102 1.00 52.04 O ATOM 0 H TYR A 38 7.942 -10.366 13.638 1.00 64.13 H new ATOM 0 HA TYR A 38 7.023 -12.055 15.730 1.00 64.04 H new ATOM 0 HB2 TYR A 38 6.585 -12.301 13.255 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.234 -12.869 13.078 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.863 -15.120 13.806 1.00 63.21 H new ATOM 0 HD2 TYR A 38 4.931 -13.648 14.525 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.117 -17.391 14.383 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.185 -15.911 15.100 1.00 74.11 H new ATOM 0 HH TYR A 38 4.729 -18.153 14.871 1.00 52.04 H new ATOM 599 N GLU A 39 9.072 -12.959 16.795 1.00 24.42 N ATOM 600 CA GLU A 39 10.269 -13.407 17.483 1.00 12.31 C ATOM 601 C GLU A 39 10.323 -14.922 17.541 1.00 14.54 C ATOM 602 O GLU A 39 9.291 -15.589 17.623 1.00 3.41 O ATOM 603 CB GLU A 39 10.312 -12.832 18.896 1.00 45.13 C ATOM 604 CG GLU A 39 10.241 -11.318 18.928 1.00 72.52 C ATOM 605 CD GLU A 39 10.235 -10.767 20.334 1.00 31.14 C ATOM 606 OE1 GLU A 39 11.269 -10.226 20.766 1.00 5.53 O ATOM 607 OE2 GLU A 39 9.190 -10.871 21.009 1.00 51.15 O1- ATOM 0 H GLU A 39 8.214 -13.039 17.341 1.00 24.42 H new ATOM 0 HA GLU A 39 11.135 -13.051 16.925 1.00 12.31 H new ATOM 0 HB2 GLU A 39 9.482 -13.240 19.473 1.00 45.13 H new ATOM 0 HB3 GLU A 39 11.230 -13.156 19.385 1.00 45.13 H new ATOM 0 HG2 GLU A 39 11.091 -10.906 18.384 1.00 72.52 H new ATOM 0 HG3 GLU A 39 9.341 -10.989 18.409 1.00 72.52 H new ATOM 614 N ILE A 40 11.529 -15.457 17.488 1.00 4.54 N ATOM 615 CA ILE A 40 11.733 -16.890 17.582 1.00 42.33 C ATOM 616 C ILE A 40 12.612 -17.224 18.780 1.00 75.11 C ATOM 617 O ILE A 40 13.401 -16.392 19.240 1.00 0.45 O ATOM 618 CB ILE A 40 12.362 -17.466 16.297 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.658 -16.728 15.965 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.376 -17.374 15.142 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.340 -17.215 14.707 1.00 11.34 C ATOM 0 H ILE A 40 12.387 -14.916 17.380 1.00 4.54 H new ATOM 0 HA ILE A 40 10.753 -17.349 17.711 1.00 42.33 H new ATOM 0 HB ILE A 40 12.600 -18.517 16.461 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.442 -15.665 15.860 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.348 -16.832 16.803 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.832 -17.784 14.241 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.478 -17.942 15.384 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.111 -16.330 14.972 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.252 -16.641 14.542 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.590 -18.270 14.814 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.670 -17.086 13.857 1.00 11.34 H new ATOM 633 N GLU A 41 12.470 -18.440 19.269 1.00 61.12 N ATOM 634 CA GLU A 41 13.144 -18.882 20.475 1.00 13.03 C ATOM 635 C GLU A 41 14.275 -19.853 20.125 1.00 60.15 C ATOM 636 O GLU A 41 14.348 -20.344 18.999 1.00 54.15 O ATOM 637 CB GLU A 41 12.109 -19.547 21.389 1.00 74.33 C ATOM 638 CG GLU A 41 12.648 -20.014 22.730 1.00 15.40 C ATOM 639 CD GLU A 41 11.594 -20.707 23.565 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.161 -20.131 24.584 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.196 -21.831 23.212 1.00 65.45 O1- ATOM 0 H GLU A 41 11.881 -19.153 18.839 1.00 61.12 H new ATOM 0 HA GLU A 41 13.591 -18.032 20.991 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.296 -18.843 21.566 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.682 -20.403 20.867 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.483 -20.695 22.566 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.038 -19.158 23.280 1.00 15.40 H new ATOM 648 N TYR A 42 15.156 -20.114 21.080 1.00 75.13 N ATOM 649 CA TYR A 42 16.254 -21.054 20.883 1.00 70.02 C ATOM 650 C TYR A 42 16.178 -22.193 21.888 1.00 70.13 C ATOM 651 O TYR A 42 16.529 -22.027 23.055 1.00 31.24 O ATOM 652 CB TYR A 42 17.603 -20.347 20.998 1.00 71.13 C ATOM 653 CG TYR A 42 18.139 -19.854 19.675 1.00 14.45 C ATOM 654 CD1 TYR A 42 19.346 -20.333 19.177 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.445 -18.920 18.923 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.846 -19.886 17.971 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.936 -18.472 17.714 1.00 60.14 C ATOM 658 CZ TYR A 42 19.136 -18.957 17.242 1.00 71.20 C ATOM 659 OH TYR A 42 19.638 -18.490 16.047 1.00 33.12 O ATOM 0 H TYR A 42 15.132 -19.686 22.005 1.00 75.13 H new ATOM 0 HA TYR A 42 16.161 -21.467 19.879 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.504 -19.502 21.679 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.326 -21.031 21.442 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.901 -21.067 19.743 1.00 42.45 H new ATOM 0 HD2 TYR A 42 16.504 -18.536 19.289 1.00 74.53 H new ATOM 0 HE1 TYR A 42 20.788 -20.262 17.601 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.382 -17.744 17.140 1.00 60.14 H new ATOM 0 HH TYR A 42 18.897 -18.237 15.458 1.00 33.12 H new ATOM 669 N VAL A 43 15.687 -23.335 21.438 1.00 14.33 N ATOM 670 CA VAL A 43 15.584 -24.511 22.288 1.00 13.01 C ATOM 671 C VAL A 43 16.692 -25.498 21.964 1.00 43.53 C ATOM 672 O VAL A 43 17.380 -25.362 20.957 1.00 23.35 O ATOM 673 CB VAL A 43 14.217 -25.214 22.141 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.106 -24.339 22.692 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.948 -25.577 20.686 1.00 10.23 C ATOM 0 H VAL A 43 15.352 -23.474 20.485 1.00 14.33 H new ATOM 0 HA VAL A 43 15.682 -24.169 23.318 1.00 13.01 H new ATOM 0 HB VAL A 43 14.244 -26.138 22.719 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.150 -24.851 22.580 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.289 -24.140 23.748 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.079 -23.397 22.145 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.980 -26.071 20.607 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.944 -24.671 20.080 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.728 -26.249 20.328 1.00 10.23 H new ATOM 685 N CYS A 44 16.862 -26.490 22.815 1.00 44.41 N ATOM 686 CA CYS A 44 17.868 -27.510 22.592 1.00 33.42 C ATOM 687 C CYS A 44 17.260 -28.657 21.803 1.00 23.24 C ATOM 688 O CYS A 44 16.103 -29.027 22.023 1.00 51.42 O ATOM 689 CB CYS A 44 18.416 -27.997 23.933 1.00 2.24 C ATOM 690 SG CYS A 44 19.890 -29.069 23.825 1.00 3.51 S ATOM 0 H CYS A 44 16.316 -26.612 23.668 1.00 44.41 H new ATOM 0 HA CYS A 44 18.695 -27.094 22.017 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.662 -27.129 24.544 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.628 -28.541 24.454 1.00 2.24 H new ATOM 695 N ARG A 45 18.038 -29.197 20.879 1.00 62.05 N ATOM 696 CA ARG A 45 17.580 -30.253 19.995 1.00 5.01 C ATOM 697 C ARG A 45 17.132 -31.464 20.808 1.00 54.03 C ATOM 698 O ARG A 45 17.922 -32.068 21.536 1.00 24.32 O ATOM 699 CB ARG A 45 18.704 -30.620 19.020 1.00 71.44 C ATOM 700 CG ARG A 45 18.232 -31.319 17.759 1.00 42.32 C ATOM 701 CD ARG A 45 18.067 -32.813 17.971 1.00 12.32 C ATOM 702 NE ARG A 45 19.317 -33.438 18.401 1.00 32.41 N ATOM 703 CZ ARG A 45 19.401 -34.623 19.000 1.00 70.05 C ATOM 704 NH1 ARG A 45 18.314 -35.358 19.200 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 20.586 -35.076 19.389 1.00 35.41 N ATOM 0 H ARG A 45 19.005 -28.914 20.722 1.00 62.05 H new ATOM 0 HA ARG A 45 16.721 -29.906 19.420 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.237 -29.712 18.740 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.418 -31.264 19.533 1.00 71.44 H new ATOM 0 HG2 ARG A 45 17.282 -30.890 17.439 1.00 42.32 H new ATOM 0 HG3 ARG A 45 18.948 -31.143 16.956 1.00 42.32 H new ATOM 0 HD2 ARG A 45 17.294 -32.992 18.719 1.00 12.32 H new ATOM 0 HD3 ARG A 45 17.728 -33.277 17.045 1.00 12.32 H new ATOM 0 HE ARG A 45 20.185 -32.930 18.230 1.00 32.41 H new ATOM 0 HH11 ARG A 45 17.403 -35.016 18.893 1.00 54.35 H new ATOM 0 HH12 ARG A 45 18.389 -36.265 19.660 1.00 54.35 H new ATOM 0 HH21 ARG A 45 21.424 -34.517 19.228 1.00 35.41 H new ATOM 0 HH22 ARG A 45 20.659 -35.983 19.849 1.00 35.41 H new ATOM 719 N GLY A 46 15.852 -31.788 20.694 1.00 62.21 N ATOM 720 CA GLY A 46 15.280 -32.860 21.474 1.00 35.13 C ATOM 721 C GLY A 46 14.257 -32.334 22.453 1.00 50.42 C ATOM 722 O GLY A 46 13.207 -31.830 22.051 1.00 24.32 O ATOM 0 H GLY A 46 15.196 -31.321 20.068 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.812 -33.587 20.810 1.00 35.13 H new ATOM 0 HA3 GLY A 46 16.070 -33.383 22.014 1.00 35.13 H new ATOM 726 N GLU A 47 14.565 -32.430 23.736 1.00 62.41 N ATOM 727 CA GLU A 47 13.687 -31.910 24.775 1.00 21.42 C ATOM 728 C GLU A 47 14.493 -31.459 25.992 1.00 12.53 C ATOM 729 O GLU A 47 14.403 -32.043 27.072 1.00 4.41 O ATOM 730 CB GLU A 47 12.646 -32.960 25.181 1.00 22.13 C ATOM 731 CG GLU A 47 13.235 -34.331 25.476 1.00 11.01 C ATOM 732 CD GLU A 47 12.204 -35.302 26.004 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.674 -36.109 25.213 1.00 31.03 O ATOM 734 OE2 GLU A 47 11.912 -35.254 27.216 1.00 71.43 O1- ATOM 0 H GLU A 47 15.419 -32.865 24.085 1.00 62.41 H new ATOM 0 HA GLU A 47 13.163 -31.044 24.371 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.113 -32.607 26.064 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.910 -33.056 24.382 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.678 -34.736 24.566 1.00 11.01 H new ATOM 0 HG3 GLU A 47 14.039 -34.228 26.204 1.00 11.01 H new ATOM 741 N ARG A 48 15.300 -30.425 25.810 1.00 3.22 N ATOM 742 CA ARG A 48 16.109 -29.894 26.897 1.00 11.31 C ATOM 743 C ARG A 48 15.866 -28.398 27.046 1.00 51.34 C ATOM 744 O ARG A 48 15.817 -27.671 26.049 1.00 74.21 O ATOM 745 CB ARG A 48 17.603 -30.137 26.644 1.00 14.32 C ATOM 746 CG ARG A 48 17.962 -31.564 26.255 1.00 42.31 C ATOM 747 CD ARG A 48 17.693 -32.555 27.379 1.00 42.54 C ATOM 748 NE ARG A 48 17.977 -33.925 26.960 1.00 62.44 N ATOM 749 CZ ARG A 48 17.679 -35.013 27.672 1.00 10.24 C ATOM 750 NH1 ARG A 48 17.114 -34.908 28.870 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 17.946 -36.211 27.178 1.00 20.12 N ATOM 0 H ARG A 48 15.412 -29.937 24.921 1.00 3.22 H new ATOM 0 HA ARG A 48 15.819 -30.410 27.812 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.937 -29.465 25.853 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.157 -29.871 27.544 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.389 -31.853 25.374 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.015 -31.609 25.979 1.00 42.31 H new ATOM 0 HD2 ARG A 48 18.307 -32.303 28.244 1.00 42.54 H new ATOM 0 HD3 ARG A 48 16.652 -32.477 27.693 1.00 42.54 H new ATOM 0 HE ARG A 48 18.436 -34.059 26.059 1.00 62.44 H new ATOM 0 HH11 ARG A 48 16.903 -33.988 29.255 1.00 25.54 H new ATOM 0 HH12 ARG A 48 16.891 -35.748 29.404 1.00 25.54 H new ATOM 0 HH21 ARG A 48 18.377 -36.299 26.258 1.00 20.12 H new ATOM 0 HH22 ARG A 48 17.721 -37.047 27.717 1.00 20.12 H new ATOM 765 N GLU A 49 15.719 -27.939 28.282 1.00 44.11 N ATOM 766 CA GLU A 49 15.563 -26.517 28.545 1.00 30.02 C ATOM 767 C GLU A 49 16.921 -25.828 28.501 1.00 63.13 C ATOM 768 O GLU A 49 17.958 -26.472 28.675 1.00 72.31 O ATOM 769 CB GLU A 49 14.887 -26.278 29.899 1.00 5.24 C ATOM 770 CG GLU A 49 13.440 -26.746 29.946 1.00 21.11 C ATOM 771 CD GLU A 49 12.742 -26.373 31.238 1.00 74.41 C ATOM 772 OE1 GLU A 49 12.540 -27.263 32.092 1.00 50.41 O ATOM 773 OE2 GLU A 49 12.396 -25.185 31.410 1.00 41.04 O1- ATOM 0 H GLU A 49 15.705 -28.529 29.114 1.00 44.11 H new ATOM 0 HA GLU A 49 14.923 -26.093 27.771 1.00 30.02 H new ATOM 0 HB2 GLU A 49 15.453 -26.794 30.675 1.00 5.24 H new ATOM 0 HB3 GLU A 49 14.924 -25.214 30.132 1.00 5.24 H new ATOM 0 HG2 GLU A 49 12.896 -26.313 29.107 1.00 21.11 H new ATOM 0 HG3 GLU A 49 13.409 -27.828 29.822 1.00 21.11 H new ATOM 780 N VAL A 50 16.910 -24.528 28.252 1.00 34.14 N ATOM 781 CA VAL A 50 18.140 -23.758 28.136 1.00 54.31 C ATOM 782 C VAL A 50 18.075 -22.508 29.001 1.00 4.42 C ATOM 783 O VAL A 50 16.997 -21.958 29.228 1.00 41.03 O ATOM 784 CB VAL A 50 18.409 -23.322 26.673 1.00 15.41 C ATOM 785 CG1 VAL A 50 18.542 -24.524 25.755 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.316 -22.393 26.164 1.00 31.42 C ATOM 0 H VAL A 50 16.058 -23.981 28.126 1.00 34.14 H new ATOM 0 HA VAL A 50 18.949 -24.408 28.471 1.00 54.31 H new ATOM 0 HB VAL A 50 19.354 -22.778 26.667 1.00 15.41 H new ATOM 0 HG11 VAL A 50 18.730 -24.185 24.736 1.00 14.02 H new ATOM 0 HG12 VAL A 50 19.372 -25.147 26.089 1.00 14.02 H new ATOM 0 HG13 VAL A 50 17.620 -25.104 25.780 1.00 14.02 H new ATOM 0 HG21 VAL A 50 17.533 -22.105 25.135 1.00 31.42 H new ATOM 0 HG22 VAL A 50 16.355 -22.906 26.202 1.00 31.42 H new ATOM 0 HG23 VAL A 50 17.276 -21.501 26.790 1.00 31.42 H new ATOM 796 N VAL A 51 19.224 -22.067 29.488 1.00 23.20 N ATOM 797 CA VAL A 51 19.306 -20.772 30.134 1.00 2.24 C ATOM 798 C VAL A 51 20.232 -19.869 29.319 1.00 12.52 C ATOM 799 O VAL A 51 21.459 -19.927 29.414 1.00 73.23 O ATOM 800 CB VAL A 51 19.764 -20.886 31.612 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.068 -21.663 31.740 1.00 24.00 C ATOM 802 CG2 VAL A 51 19.889 -19.509 32.249 1.00 4.13 C ATOM 0 H VAL A 51 20.103 -22.583 29.448 1.00 23.20 H new ATOM 0 HA VAL A 51 18.311 -20.329 30.165 1.00 2.24 H new ATOM 0 HB VAL A 51 18.997 -21.444 32.149 1.00 35.20 H new ATOM 0 HG11 VAL A 51 21.355 -21.721 32.790 1.00 24.00 H new ATOM 0 HG12 VAL A 51 20.932 -22.670 31.345 1.00 24.00 H new ATOM 0 HG13 VAL A 51 21.851 -21.155 31.177 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.211 -19.615 33.285 1.00 4.13 H new ATOM 0 HG22 VAL A 51 20.623 -18.919 31.699 1.00 4.13 H new ATOM 0 HG23 VAL A 51 18.923 -19.005 32.219 1.00 4.13 H new ATOM 812 N GLY A 52 19.613 -19.083 28.462 1.00 43.00 N ATOM 813 CA GLY A 52 20.341 -18.198 27.584 1.00 12.21 C ATOM 814 C GLY A 52 19.487 -17.029 27.158 1.00 21.54 C ATOM 815 O GLY A 52 18.285 -17.015 27.441 1.00 21.14 O ATOM 0 H GLY A 52 18.599 -19.041 28.357 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.235 -17.834 28.090 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.675 -18.748 26.704 1.00 12.21 H new ATOM 819 N PRO A 53 20.061 -16.037 26.470 1.00 41.45 N ATOM 820 CA PRO A 53 19.290 -14.941 25.890 1.00 13.20 C ATOM 821 C PRO A 53 18.560 -15.400 24.627 1.00 34.33 C ATOM 822 O PRO A 53 18.787 -14.877 23.532 1.00 53.40 O ATOM 823 CB PRO A 53 20.355 -13.899 25.559 1.00 30.31 C ATOM 824 CG PRO A 53 21.594 -14.688 25.314 1.00 70.42 C ATOM 825 CD PRO A 53 21.504 -15.912 26.187 1.00 22.42 C ATOM 0 HA PRO A 53 18.516 -14.561 26.557 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.078 -13.315 24.682 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.490 -13.196 26.381 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.675 -14.967 24.263 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.481 -14.103 25.558 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.890 -16.795 25.678 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.083 -15.793 27.103 1.00 22.42 H new ATOM 833 N LYS A 54 17.694 -16.397 24.797 1.00 53.33 N ATOM 834 CA LYS A 54 16.989 -17.014 23.682 1.00 53.43 C ATOM 835 C LYS A 54 15.925 -16.078 23.111 1.00 54.24 C ATOM 836 O LYS A 54 14.774 -16.079 23.549 1.00 72.35 O ATOM 837 CB LYS A 54 16.350 -18.344 24.115 1.00 14.34 C ATOM 838 CG LYS A 54 15.509 -18.247 25.384 1.00 2.25 C ATOM 839 CD LYS A 54 14.601 -19.456 25.554 1.00 62.01 C ATOM 840 CE LYS A 54 13.670 -19.293 26.749 1.00 22.54 C ATOM 841 NZ LYS A 54 12.602 -20.329 26.763 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.464 -16.796 25.707 1.00 53.33 H new ATOM 0 HA LYS A 54 17.720 -17.213 22.898 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.723 -18.715 23.304 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.139 -19.080 24.270 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.166 -18.161 26.250 1.00 2.25 H new ATOM 0 HG3 LYS A 54 14.905 -17.340 25.351 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.011 -19.599 24.649 1.00 62.01 H new ATOM 0 HD3 LYS A 54 15.208 -20.352 25.684 1.00 62.01 H new ATOM 0 HE2 LYS A 54 14.248 -19.354 27.671 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.215 -18.303 26.723 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.174 -20.374 27.710 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 11.872 -20.084 26.064 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 13.013 -21.254 26.525 1.00 20.32 H new ATOM 855 N VAL A 55 16.326 -15.258 22.155 1.00 2.14 N ATOM 856 CA VAL A 55 15.398 -14.371 21.474 1.00 11.43 C ATOM 857 C VAL A 55 15.986 -13.874 20.155 1.00 43.22 C ATOM 858 O VAL A 55 17.151 -13.475 20.086 1.00 65.24 O ATOM 859 CB VAL A 55 14.994 -13.169 22.367 1.00 34.24 C ATOM 860 CG1 VAL A 55 16.207 -12.336 22.765 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.946 -12.307 21.676 1.00 74.12 C ATOM 0 H VAL A 55 17.291 -15.188 21.832 1.00 2.14 H new ATOM 0 HA VAL A 55 14.499 -14.949 21.261 1.00 11.43 H new ATOM 0 HB VAL A 55 14.556 -13.570 23.281 1.00 34.24 H new ATOM 0 HG11 VAL A 55 15.887 -11.502 23.390 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.909 -12.958 23.321 1.00 71.14 H new ATOM 0 HG13 VAL A 55 16.694 -11.951 21.869 1.00 71.14 H new ATOM 0 HG21 VAL A 55 13.679 -11.471 22.322 1.00 74.12 H new ATOM 0 HG22 VAL A 55 14.349 -11.926 20.738 1.00 74.12 H new ATOM 0 HG23 VAL A 55 13.058 -12.906 21.473 1.00 74.12 H new ATOM 871 N ARG A 56 15.192 -13.961 19.104 1.00 3.44 N ATOM 872 CA ARG A 56 15.519 -13.333 17.835 1.00 30.34 C ATOM 873 C ARG A 56 14.338 -12.487 17.398 1.00 34.22 C ATOM 874 O ARG A 56 13.281 -13.022 17.070 1.00 45.24 O ATOM 875 CB ARG A 56 15.815 -14.366 16.745 1.00 31.13 C ATOM 876 CG ARG A 56 16.906 -15.364 17.082 1.00 60.22 C ATOM 877 CD ARG A 56 18.267 -14.708 17.221 1.00 12.52 C ATOM 878 NE ARG A 56 19.341 -15.703 17.272 1.00 73.32 N ATOM 879 CZ ARG A 56 20.346 -15.679 18.145 1.00 41.54 C ATOM 880 NH1 ARG A 56 20.413 -14.734 19.074 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.278 -16.619 18.097 1.00 53.04 N ATOM 0 H ARG A 56 14.306 -14.466 19.104 1.00 3.44 H new ATOM 0 HA ARG A 56 16.414 -12.726 17.975 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.898 -14.914 16.527 1.00 31.13 H new ATOM 0 HB3 ARG A 56 16.096 -13.839 15.833 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.654 -15.873 18.012 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.951 -16.126 16.304 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.434 -14.034 16.381 1.00 12.52 H new ATOM 0 HD3 ARG A 56 18.289 -14.101 18.126 1.00 12.52 H new ATOM 0 HE ARG A 56 19.317 -16.465 16.594 1.00 73.32 H new ATOM 0 HH11 ARG A 56 19.690 -14.016 19.124 1.00 41.24 H new ATOM 0 HH12 ARG A 56 21.187 -14.725 19.738 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.223 -17.356 17.394 1.00 53.04 H new ATOM 0 HH22 ARG A 56 22.050 -16.606 18.763 1.00 53.04 H new ATOM 895 N LYS A 57 14.500 -11.179 17.411 1.00 33.31 N ATOM 896 CA LYS A 57 13.415 -10.291 17.037 1.00 4.11 C ATOM 897 C LYS A 57 13.576 -9.856 15.587 1.00 15.33 C ATOM 898 O LYS A 57 14.616 -9.313 15.214 1.00 3.22 O ATOM 899 CB LYS A 57 13.391 -9.066 17.956 1.00 43.11 C ATOM 900 CG LYS A 57 12.146 -8.206 17.802 1.00 71.30 C ATOM 901 CD LYS A 57 12.294 -6.857 18.495 1.00 14.43 C ATOM 902 CE LYS A 57 12.615 -6.998 19.979 1.00 11.33 C ATOM 903 NZ LYS A 57 11.522 -7.663 20.736 1.00 52.31 N1+ ATOM 0 H LYS A 57 15.366 -10.709 17.674 1.00 33.31 H new ATOM 0 HA LYS A 57 12.471 -10.825 17.144 1.00 4.11 H new ATOM 0 HB2 LYS A 57 13.465 -9.399 18.991 1.00 43.11 H new ATOM 0 HB3 LYS A 57 14.271 -8.455 17.754 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.943 -8.049 16.743 1.00 71.30 H new ATOM 0 HG3 LYS A 57 11.287 -8.734 18.216 1.00 71.30 H new ATOM 0 HD2 LYS A 57 13.084 -6.286 18.008 1.00 14.43 H new ATOM 0 HD3 LYS A 57 11.371 -6.288 18.378 1.00 14.43 H new ATOM 0 HE2 LYS A 57 13.535 -7.571 20.096 1.00 11.33 H new ATOM 0 HE3 LYS A 57 12.798 -6.011 20.403 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 11.626 -7.455 21.750 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 10.603 -7.309 20.402 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 11.572 -8.691 20.586 1.00 52.31 H new ATOM 917 N CYS A 58 12.569 -10.124 14.765 1.00 72.13 N ATOM 918 CA CYS A 58 12.597 -9.700 13.372 1.00 62.31 C ATOM 919 C CYS A 58 12.468 -8.184 13.292 1.00 74.10 C ATOM 920 O CYS A 58 11.544 -7.596 13.865 1.00 14.35 O ATOM 921 CB CYS A 58 11.476 -10.373 12.578 1.00 65.03 C ATOM 922 SG CYS A 58 11.536 -10.053 10.785 1.00 34.12 S ATOM 0 H CYS A 58 11.727 -10.631 15.038 1.00 72.13 H new ATOM 0 HA CYS A 58 13.549 -10.000 12.934 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.523 -11.449 12.746 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.516 -10.031 12.965 1.00 65.03 H new ATOM 927 N LEU A 59 13.401 -7.557 12.592 1.00 20.31 N ATOM 928 CA LEU A 59 13.462 -6.109 12.517 1.00 35.20 C ATOM 929 C LEU A 59 12.788 -5.604 11.250 1.00 35.41 C ATOM 930 O LEU A 59 12.255 -6.388 10.466 1.00 75.32 O ATOM 931 CB LEU A 59 14.919 -5.646 12.563 1.00 75.13 C ATOM 932 CG LEU A 59 15.671 -6.025 13.837 1.00 73.02 C ATOM 933 CD1 LEU A 59 17.123 -5.586 13.755 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.997 -5.412 15.052 1.00 11.24 C ATOM 0 H LEU A 59 14.131 -8.035 12.064 1.00 20.31 H new ATOM 0 HA LEU A 59 12.929 -5.695 13.373 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.447 -6.067 11.707 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.945 -4.562 12.451 1.00 75.13 H new ATOM 0 HG LEU A 59 15.648 -7.110 13.939 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.640 -5.866 14.673 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.603 -6.072 12.906 1.00 24.20 H new ATOM 0 HD13 LEU A 59 17.169 -4.504 13.628 1.00 24.20 H new ATOM 0 HD21 LEU A 59 15.545 -5.692 15.952 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.989 -4.326 14.955 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.973 -5.778 15.123 1.00 11.24 H new ATOM 946 N ALA A 60 12.802 -4.289 11.063 1.00 33.55 N ATOM 947 CA ALA A 60 12.214 -3.677 9.879 1.00 14.42 C ATOM 948 C ALA A 60 13.088 -3.927 8.652 1.00 34.01 C ATOM 949 O ALA A 60 12.644 -3.763 7.516 1.00 3.23 O ATOM 950 CB ALA A 60 12.006 -2.186 10.099 1.00 21.55 C ATOM 0 H ALA A 60 13.215 -3.626 11.718 1.00 33.55 H new ATOM 0 HA ALA A 60 11.242 -4.136 9.701 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.566 -1.744 9.205 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.337 -2.033 10.946 1.00 21.55 H new ATOM 0 HB3 ALA A 60 12.965 -1.711 10.304 1.00 21.55 H new ATOM 956 N ASN A 61 14.335 -4.310 8.893 1.00 62.21 N ATOM 957 CA ASN A 61 15.240 -4.695 7.819 1.00 25.33 C ATOM 958 C ASN A 61 15.321 -6.216 7.749 1.00 24.31 C ATOM 959 O ASN A 61 14.903 -6.900 8.683 1.00 33.40 O ATOM 960 CB ASN A 61 16.633 -4.080 8.027 1.00 32.31 C ATOM 961 CG ASN A 61 17.339 -4.580 9.273 1.00 74.35 C ATOM 962 OD1 ASN A 61 17.113 -4.074 10.372 1.00 1.31 O ATOM 963 ND2 ASN A 61 18.232 -5.545 9.113 1.00 4.55 N ATOM 0 H ASN A 61 14.744 -4.362 9.826 1.00 62.21 H new ATOM 0 HA ASN A 61 14.854 -4.314 6.874 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.251 -4.300 7.157 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.537 -2.996 8.084 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.758 -5.891 9.915 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.394 -5.942 8.187 1.00 4.55 H new ATOM 970 N GLY A 62 15.864 -6.740 6.658 1.00 21.23 N ATOM 971 CA GLY A 62 15.870 -8.179 6.440 1.00 43.34 C ATOM 972 C GLY A 62 16.919 -8.913 7.262 1.00 30.15 C ATOM 973 O GLY A 62 17.716 -9.681 6.722 1.00 74.22 O ATOM 0 H GLY A 62 16.303 -6.195 5.916 1.00 21.23 H new ATOM 0 HA2 GLY A 62 14.885 -8.579 6.681 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.044 -8.378 5.382 1.00 43.34 H new ATOM 977 N SER A 63 16.919 -8.679 8.563 1.00 32.44 N ATOM 978 CA SER A 63 17.822 -9.358 9.479 1.00 55.04 C ATOM 979 C SER A 63 17.242 -9.321 10.886 1.00 64.31 C ATOM 980 O SER A 63 16.405 -8.469 11.197 1.00 34.44 O ATOM 981 CB SER A 63 19.216 -8.720 9.469 1.00 2.41 C ATOM 982 OG SER A 63 19.832 -8.842 8.196 1.00 62.04 O ATOM 0 H SER A 63 16.293 -8.013 9.015 1.00 32.44 H new ATOM 0 HA SER A 63 17.928 -10.392 9.151 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.138 -7.667 9.738 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.841 -9.196 10.225 1.00 2.41 H new ATOM 0 HG SER A 63 19.215 -9.282 7.575 1.00 62.04 H new ATOM 988 N TRP A 64 17.674 -10.245 11.723 1.00 43.33 N ATOM 989 CA TRP A 64 17.193 -10.310 13.090 1.00 43.33 C ATOM 990 C TRP A 64 18.061 -9.425 13.981 1.00 14.23 C ATOM 991 O TRP A 64 19.066 -8.878 13.525 1.00 63.32 O ATOM 992 CB TRP A 64 17.198 -11.761 13.577 1.00 65.43 C ATOM 993 CG TRP A 64 16.408 -12.686 12.688 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.818 -13.231 11.503 1.00 40.32 C ATOM 995 CD2 TRP A 64 15.077 -13.170 12.909 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.823 -14.017 10.972 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.747 -14.000 11.819 1.00 3.21 C ATOM 998 CE3 TRP A 64 14.133 -12.989 13.919 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.514 -14.641 11.712 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.911 -13.627 13.812 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.612 -14.445 12.716 1.00 30.45 C ATOM 0 H TRP A 64 18.358 -10.962 11.480 1.00 43.33 H new ATOM 0 HA TRP A 64 16.168 -9.943 13.136 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.227 -12.115 13.636 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.789 -11.800 14.587 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.784 -13.068 11.049 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.877 -14.529 10.091 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.352 -12.361 14.770 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.281 -15.270 10.865 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.173 -13.492 14.589 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.649 -14.930 12.665 1.00 30.45 H new ATOM 1012 N THR A 65 17.664 -9.276 15.238 1.00 64.24 N ATOM 1013 CA THR A 65 18.372 -8.416 16.180 1.00 62.45 C ATOM 1014 C THR A 65 19.840 -8.818 16.342 1.00 71.12 C ATOM 1015 O THR A 65 20.740 -8.136 15.846 1.00 30.41 O ATOM 1016 CB THR A 65 17.673 -8.425 17.552 1.00 0.54 C ATOM 1017 OG1 THR A 65 17.222 -9.754 17.868 1.00 14.20 O ATOM 1018 CG2 THR A 65 16.494 -7.464 17.560 1.00 4.51 C ATOM 0 H THR A 65 16.848 -9.744 15.632 1.00 64.24 H new ATOM 0 HA THR A 65 18.349 -7.407 15.767 1.00 62.45 H new ATOM 0 HB THR A 65 18.391 -8.101 18.306 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.780 -9.750 18.743 1.00 14.20 H new ATOM 0 HG21 THR A 65 16.014 -7.485 18.538 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.846 -6.454 17.351 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.776 -7.763 16.797 1.00 4.51 H new ATOM 1026 N ASP A 66 20.073 -9.922 17.028 1.00 71.12 N ATOM 1027 CA ASP A 66 21.422 -10.434 17.234 1.00 34.33 C ATOM 1028 C ASP A 66 21.488 -11.867 16.759 1.00 13.42 C ATOM 1029 O ASP A 66 20.722 -12.698 17.235 1.00 3.12 O ATOM 1030 CB ASP A 66 21.799 -10.390 18.722 1.00 63.41 C ATOM 1031 CG ASP A 66 23.201 -10.910 18.996 1.00 40.15 C ATOM 1032 OD1 ASP A 66 24.170 -10.141 18.823 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.338 -12.080 19.416 1.00 24.04 O1- ATOM 0 H ASP A 66 19.341 -10.488 17.457 1.00 71.12 H new ATOM 0 HA ASP A 66 22.119 -9.812 16.672 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.722 -9.363 19.080 1.00 63.41 H new ATOM 0 HB3 ASP A 66 21.081 -10.981 19.291 1.00 63.41 H new ATOM 1038 N MET A 67 22.356 -12.169 15.807 1.00 22.12 N ATOM 1039 CA MET A 67 22.538 -13.557 15.428 1.00 54.13 C ATOM 1040 C MET A 67 23.980 -13.999 15.637 1.00 53.22 C ATOM 1041 O MET A 67 24.784 -14.041 14.703 1.00 32.02 O ATOM 1042 CB MET A 67 22.134 -13.777 13.967 1.00 11.22 C ATOM 1043 CG MET A 67 20.698 -13.375 13.661 1.00 72.34 C ATOM 1044 SD MET A 67 20.223 -13.715 11.956 1.00 2.02 S ATOM 1045 CE MET A 67 21.397 -12.696 11.067 1.00 10.45 C ATOM 0 H MET A 67 22.928 -11.495 15.298 1.00 22.12 H new ATOM 0 HA MET A 67 21.895 -14.160 16.068 1.00 54.13 H new ATOM 0 HB2 MET A 67 22.806 -13.208 13.324 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.268 -14.829 13.717 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.026 -13.908 14.333 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.573 -12.311 13.862 1.00 72.34 H new ATOM 0 HE1 MET A 67 21.036 -12.526 10.052 1.00 10.45 H new ATOM 0 HE2 MET A 67 21.508 -11.739 11.577 1.00 10.45 H new ATOM 0 HE3 MET A 67 22.362 -13.201 11.029 1.00 10.45 H new ATOM 1055 N ASP A 68 24.292 -14.297 16.888 1.00 24.31 N ATOM 1056 CA ASP A 68 25.470 -15.066 17.261 1.00 2.01 C ATOM 1057 C ASP A 68 25.345 -15.450 18.718 1.00 63.14 C ATOM 1058 O ASP A 68 25.745 -14.691 19.600 1.00 55.15 O ATOM 1059 CB ASP A 68 26.778 -14.310 17.021 1.00 13.54 C ATOM 1060 CG ASP A 68 27.987 -15.180 17.309 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.252 -16.112 16.519 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.679 -14.939 18.318 1.00 51.53 O1- ATOM 0 H ASP A 68 23.726 -14.007 17.685 1.00 24.31 H new ATOM 0 HA ASP A 68 25.513 -15.951 16.627 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.815 -13.965 15.988 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.808 -13.423 17.654 1.00 13.54 H new ATOM 1067 N THR A 69 24.744 -16.588 18.986 1.00 35.52 N ATOM 1068 CA THR A 69 24.424 -16.949 20.353 1.00 74.33 C ATOM 1069 C THR A 69 24.226 -18.454 20.480 1.00 61.54 C ATOM 1070 O THR A 69 23.188 -18.983 20.076 1.00 13.04 O ATOM 1071 CB THR A 69 23.132 -16.240 20.816 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.930 -15.023 20.085 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.186 -15.916 22.298 1.00 22.51 C ATOM 0 H THR A 69 24.468 -17.275 18.284 1.00 35.52 H new ATOM 0 HA THR A 69 25.259 -16.636 20.980 1.00 74.33 H new ATOM 0 HB THR A 69 22.304 -16.923 20.627 1.00 11.41 H new ATOM 0 HG1 THR A 69 23.569 -14.347 20.392 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.263 -15.418 22.595 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.300 -16.838 22.868 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.033 -15.259 22.496 1.00 22.51 H new ATOM 1081 N PRO A 70 25.227 -19.168 21.007 1.00 34.41 N ATOM 1082 CA PRO A 70 25.114 -20.602 21.264 1.00 42.43 C ATOM 1083 C PRO A 70 24.258 -20.886 22.497 1.00 23.34 C ATOM 1084 O PRO A 70 24.686 -20.662 23.631 1.00 64.14 O ATOM 1085 CB PRO A 70 26.563 -21.036 21.487 1.00 61.51 C ATOM 1086 CG PRO A 70 27.247 -19.819 22.011 1.00 11.35 C ATOM 1087 CD PRO A 70 26.551 -18.638 21.383 1.00 41.03 C ATOM 0 HA PRO A 70 24.627 -21.138 20.450 1.00 42.43 H new ATOM 0 HB2 PRO A 70 26.624 -21.861 22.197 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.021 -21.379 20.559 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.183 -19.775 23.098 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.306 -19.828 21.754 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.465 -17.806 22.082 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.095 -18.269 20.514 1.00 41.03 H new ATOM 1095 N SER A 71 23.038 -21.344 22.270 1.00 21.45 N ATOM 1096 CA SER A 71 22.122 -21.626 23.360 1.00 53.41 C ATOM 1097 C SER A 71 22.507 -22.924 24.073 1.00 14.12 C ATOM 1098 O SER A 71 22.264 -24.024 23.573 1.00 73.30 O ATOM 1099 CB SER A 71 20.686 -21.689 22.833 1.00 41.55 C ATOM 1100 OG SER A 71 20.616 -22.449 21.638 1.00 70.34 O ATOM 0 H SER A 71 22.660 -21.528 21.341 1.00 21.45 H new ATOM 0 HA SER A 71 22.186 -20.819 24.090 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.037 -22.132 23.588 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.318 -20.680 22.648 1.00 41.55 H new ATOM 0 HG SER A 71 19.694 -22.747 21.493 1.00 70.34 H new ATOM 1106 N ARG A 72 23.136 -22.779 25.231 1.00 45.03 N ATOM 1107 CA ARG A 72 23.570 -23.923 26.018 1.00 4.44 C ATOM 1108 C ARG A 72 22.415 -24.516 26.813 1.00 75.30 C ATOM 1109 O ARG A 72 21.836 -23.861 27.684 1.00 23.40 O ATOM 1110 CB ARG A 72 24.713 -23.526 26.962 1.00 34.44 C ATOM 1111 CG ARG A 72 24.500 -22.199 27.676 1.00 12.31 C ATOM 1112 CD ARG A 72 25.483 -22.010 28.819 1.00 24.33 C ATOM 1113 NE ARG A 72 26.869 -22.246 28.407 1.00 52.22 N ATOM 1114 CZ ARG A 72 27.928 -21.983 29.172 1.00 64.42 C ATOM 1115 NH1 ARG A 72 27.766 -21.416 30.363 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 29.145 -22.280 28.738 1.00 31.31 N ATOM 0 H ARG A 72 23.358 -21.875 25.647 1.00 45.03 H new ATOM 0 HA ARG A 72 23.932 -24.683 25.326 1.00 4.44 H new ATOM 0 HB2 ARG A 72 24.842 -24.310 27.708 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.640 -23.474 26.390 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.609 -21.381 26.964 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.481 -22.153 28.061 1.00 12.31 H new ATOM 0 HD2 ARG A 72 25.391 -20.997 29.211 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.227 -22.690 29.631 1.00 24.33 H new ATOM 0 HE ARG A 72 27.033 -22.635 27.479 1.00 52.22 H new ATOM 0 HH11 ARG A 72 26.830 -21.181 30.693 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.578 -21.216 30.947 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.269 -22.709 27.821 1.00 31.31 H new ATOM 0 HH22 ARG A 72 29.957 -22.080 29.321 1.00 31.31 H new ATOM 1130 N CYS A 73 22.062 -25.747 26.490 1.00 4.41 N ATOM 1131 CA CYS A 73 21.054 -26.462 27.246 1.00 74.22 C ATOM 1132 C CYS A 73 21.680 -27.186 28.423 1.00 15.32 C ATOM 1133 O CYS A 73 22.268 -28.258 28.270 1.00 21.44 O ATOM 1134 CB CYS A 73 20.298 -27.444 26.349 1.00 72.10 C ATOM 1135 SG CYS A 73 21.271 -28.094 24.951 1.00 53.24 S ATOM 0 H CYS A 73 22.459 -26.271 25.710 1.00 4.41 H new ATOM 0 HA CYS A 73 20.340 -25.735 27.632 1.00 74.22 H new ATOM 0 HB2 CYS A 73 19.955 -28.281 26.957 1.00 72.10 H new ATOM 0 HB3 CYS A 73 19.409 -26.949 25.958 1.00 72.10 H new ATOM 1140 N VAL A 74 21.579 -26.574 29.589 1.00 70.53 N ATOM 1141 CA VAL A 74 22.067 -27.176 30.813 1.00 64.52 C ATOM 1142 C VAL A 74 20.895 -27.443 31.753 1.00 43.42 C ATOM 1143 O VAL A 74 20.060 -26.566 31.990 1.00 34.31 O ATOM 1144 CB VAL A 74 23.142 -26.291 31.496 1.00 54.13 C ATOM 1145 CG1 VAL A 74 22.594 -24.913 31.837 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.702 -26.969 32.739 1.00 43.31 C ATOM 0 H VAL A 74 21.159 -25.653 29.712 1.00 70.53 H new ATOM 0 HA VAL A 74 22.548 -28.123 30.566 1.00 64.52 H new ATOM 0 HB VAL A 74 23.956 -26.160 30.783 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.374 -24.319 32.314 1.00 11.41 H new ATOM 0 HG12 VAL A 74 22.267 -24.416 30.924 1.00 11.41 H new ATOM 0 HG13 VAL A 74 21.749 -25.016 32.517 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.453 -26.326 33.197 1.00 43.31 H new ATOM 0 HG22 VAL A 74 22.896 -27.148 33.450 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.159 -27.919 32.461 1.00 43.31 H new ATOM 1156 N ARG A 75 20.813 -28.663 32.250 1.00 64.45 N ATOM 1157 CA ARG A 75 19.700 -29.066 33.093 1.00 54.13 C ATOM 1158 C ARG A 75 20.168 -29.210 34.534 1.00 45.21 C ATOM 1159 O ARG A 75 20.486 -30.345 34.950 1.00 37.22 O ATOM 1160 CB ARG A 75 19.118 -30.390 32.587 1.00 55.34 C ATOM 1161 CG ARG A 75 17.602 -30.406 32.437 1.00 43.51 C ATOM 1162 CD ARG A 75 16.885 -30.063 33.734 1.00 51.22 C ATOM 1163 NE ARG A 75 15.463 -30.402 33.659 1.00 74.41 N ATOM 1164 CZ ARG A 75 14.501 -29.547 33.314 1.00 23.14 C ATOM 1165 NH1 ARG A 75 14.774 -28.266 33.105 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 13.250 -29.971 33.199 1.00 4.05 N ATOM 1167 OXT ARG A 75 20.251 -28.180 35.234 1.00 37.22 O ATOM 0 H ARG A 75 21.505 -29.394 32.085 1.00 64.45 H new ATOM 0 HA ARG A 75 18.923 -28.303 33.052 1.00 54.13 H new ATOM 0 HB2 ARG A 75 19.567 -30.622 31.621 1.00 55.34 H new ATOM 0 HB3 ARG A 75 19.409 -31.185 33.274 1.00 55.34 H new ATOM 0 HG2 ARG A 75 17.309 -29.695 31.665 1.00 43.51 H new ATOM 0 HG3 ARG A 75 17.284 -31.392 32.100 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.347 -30.602 34.561 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.997 -28.999 33.944 1.00 51.22 H new ATOM 0 HE ARG A 75 15.190 -31.358 33.886 1.00 74.41 H new ATOM 0 HH11 ARG A 75 15.730 -27.925 33.208 1.00 33.54 H new ATOM 0 HH12 ARG A 75 14.028 -27.622 32.841 1.00 33.54 H new ATOM 0 HH21 ARG A 75 13.025 -30.950 33.375 1.00 4.05 H new ATOM 0 HH22 ARG A 75 12.512 -29.318 32.935 1.00 4.05 H new