USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.54) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.22) USER MOD Set 3.1: A 1 SER OG : rot 140:sc= 0.0313 USER MOD Set 3.2: A 19 LYS NZ :NH3+ -179:sc= 0.0106 (180deg=-0.0308) USER MOD Set 4.1: A 4 GLN : amide:sc=-0.00448 K(o=0.67,f=-3!) USER MOD Set 4.2: A 15 TYR OH : rot 162:sc= 0.673 USER MOD Single : A 1 SER N :NH3+ -103:sc= 0.0205 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 44:sc= 0.362 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 6 HIS : no HD1:sc= -2 K(o=-2,f=-1) USER MOD Single : A 9 GLN : amide:sc= -0.0365 K(o=-0.036,f=-0.6) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00586 USER MOD Single : A 23 SER OG : rot 34:sc= 0.122 USER MOD Single : A 25 THR OG1 : rot 4:sc= 0.436 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.9) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 36:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.397 10.195 -5.531 1.00 0.00 N ATOM 2 CA SER A 1 -7.124 9.186 -4.489 1.00 0.00 C ATOM 3 C SER A 1 -6.293 9.749 -3.331 1.00 0.00 C ATOM 4 O SER A 1 -5.476 10.652 -3.517 1.00 0.00 O ATOM 5 CB SER A 1 -6.473 7.927 -5.086 1.00 0.00 C ATOM 6 OG SER A 1 -5.192 8.204 -5.617 1.00 0.00 O ATOM 0 H1 SER A 1 -8.376 10.534 -5.438 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.742 10.995 -5.420 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.266 9.768 -6.470 1.00 0.00 H new ATOM 0 HA SER A 1 -8.089 8.899 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.390 7.160 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.113 7.523 -5.871 1.00 0.00 H new ATOM 0 HG SER A 1 -4.582 7.468 -5.402 1.00 0.00 H new ATOM 14 N CYS A 2 -6.520 9.193 -2.134 1.00 0.00 N ATOM 15 CA CYS A 2 -5.905 9.611 -0.881 1.00 0.00 C ATOM 16 C CYS A 2 -4.365 9.502 -0.912 1.00 0.00 C ATOM 17 O CYS A 2 -3.813 8.526 -1.418 1.00 0.00 O ATOM 18 CB CYS A 2 -6.562 8.893 0.325 1.00 0.00 C ATOM 19 SG CYS A 2 -7.206 7.180 0.212 1.00 0.00 S ATOM 0 H CYS A 2 -7.163 8.410 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.101 10.675 -0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -5.828 8.899 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -7.394 9.520 0.647 1.00 0.00 H new ATOM 24 N THR A 3 -3.666 10.517 -0.375 1.00 0.00 N ATOM 25 CA THR A 3 -2.222 10.509 -0.160 1.00 0.00 C ATOM 26 C THR A 3 -1.962 9.627 1.064 1.00 0.00 C ATOM 27 O THR A 3 -2.064 10.063 2.210 1.00 0.00 O ATOM 28 CB THR A 3 -1.650 11.932 -0.012 1.00 0.00 C ATOM 29 OG1 THR A 3 -2.292 12.647 1.027 1.00 0.00 O ATOM 30 CG2 THR A 3 -1.770 12.722 -1.324 1.00 0.00 C ATOM 0 H THR A 3 -4.108 11.385 -0.073 1.00 0.00 H new ATOM 0 HA THR A 3 -1.703 10.100 -1.027 1.00 0.00 H new ATOM 0 HB THR A 3 -0.596 11.820 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.390 12.067 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.358 13.721 -1.186 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.218 12.207 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.820 12.799 -1.608 1.00 0.00 H new ATOM 38 N GLN A 4 -1.708 8.350 0.778 1.00 0.00 N ATOM 39 CA GLN A 4 -1.810 7.231 1.697 1.00 0.00 C ATOM 40 C GLN A 4 -0.563 7.185 2.580 1.00 0.00 C ATOM 41 O GLN A 4 0.545 7.243 2.052 1.00 0.00 O ATOM 42 CB GLN A 4 -1.970 5.985 0.826 1.00 0.00 C ATOM 43 CG GLN A 4 -1.958 4.602 1.444 1.00 0.00 C ATOM 44 CD GLN A 4 -2.963 4.430 2.568 1.00 0.00 C ATOM 45 OE1 GLN A 4 -2.813 4.995 3.649 1.00 0.00 O ATOM 46 NE2 GLN A 4 -3.986 3.620 2.317 1.00 0.00 N ATOM 0 H GLN A 4 -1.410 8.059 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.659 7.312 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.913 6.088 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.175 6.010 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.164 3.865 0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.959 4.393 1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.070 3.172 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.687 3.446 3.037 1.00 0.00 H new ATOM 55 N THR A 5 -0.716 7.103 3.912 1.00 0.00 N ATOM 56 CA THR A 5 0.411 7.211 4.831 1.00 0.00 C ATOM 57 C THR A 5 1.385 6.049 4.670 1.00 0.00 C ATOM 58 O THR A 5 1.131 5.051 3.991 1.00 0.00 O ATOM 59 CB THR A 5 -0.056 7.379 6.295 1.00 0.00 C ATOM 60 OG1 THR A 5 1.014 7.471 7.218 1.00 0.00 O ATOM 61 CG2 THR A 5 -1.033 6.292 6.770 1.00 0.00 C ATOM 0 H THR A 5 -1.616 6.962 4.370 1.00 0.00 H new ATOM 0 HA THR A 5 0.955 8.118 4.568 1.00 0.00 H new ATOM 0 HB THR A 5 -0.590 8.329 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.656 7.577 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.312 6.482 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.926 6.307 6.145 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.555 5.315 6.696 1.00 0.00 H new ATOM 69 N HIS A 6 2.512 6.221 5.357 1.00 0.00 N ATOM 70 CA HIS A 6 3.510 5.182 5.541 1.00 0.00 C ATOM 71 C HIS A 6 2.863 4.052 6.337 1.00 0.00 C ATOM 72 O HIS A 6 2.256 4.298 7.379 1.00 0.00 O ATOM 73 CB HIS A 6 4.771 5.756 6.208 1.00 0.00 C ATOM 74 CG HIS A 6 5.871 4.761 6.536 1.00 0.00 C ATOM 75 ND1 HIS A 6 6.942 5.091 7.355 1.00 0.00 N ATOM 76 CD2 HIS A 6 6.113 3.458 6.155 1.00 0.00 C ATOM 77 CE1 HIS A 6 7.744 4.014 7.427 1.00 0.00 C ATOM 78 NE2 HIS A 6 7.291 2.981 6.717 1.00 0.00 N ATOM 0 H HIS A 6 2.757 7.103 5.807 1.00 0.00 H new ATOM 0 HA HIS A 6 3.846 4.780 4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.186 6.522 5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.473 6.254 7.131 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.471 2.883 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.659 3.989 8.000 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.710 2.057 6.611 1.00 0.00 H new ATOM 86 N TRP A 7 2.922 2.846 5.759 1.00 0.00 N ATOM 87 CA TRP A 7 2.129 1.680 6.163 1.00 0.00 C ATOM 88 C TRP A 7 0.650 1.955 5.836 1.00 0.00 C ATOM 89 O TRP A 7 -0.029 2.671 6.572 1.00 0.00 O ATOM 90 CB TRP A 7 2.325 1.262 7.637 1.00 0.00 C ATOM 91 CG TRP A 7 3.694 0.818 8.074 1.00 0.00 C ATOM 92 CD1 TRP A 7 4.207 -0.432 7.988 1.00 0.00 C ATOM 93 CD2 TRP A 7 4.695 1.595 8.787 1.00 0.00 C ATOM 94 NE1 TRP A 7 5.445 -0.483 8.603 1.00 0.00 N ATOM 95 CE2 TRP A 7 5.803 0.751 9.105 1.00 0.00 C ATOM 96 CE3 TRP A 7 4.758 2.934 9.224 1.00 0.00 C ATOM 97 CZ2 TRP A 7 6.927 1.227 9.809 1.00 0.00 C ATOM 98 CZ3 TRP A 7 5.855 3.415 9.970 1.00 0.00 C ATOM 99 CH2 TRP A 7 6.945 2.564 10.255 1.00 0.00 C ATOM 0 H TRP A 7 3.542 2.649 4.973 1.00 0.00 H new ATOM 0 HA TRP A 7 2.487 0.822 5.594 1.00 0.00 H new ATOM 0 HB2 TRP A 7 2.032 2.105 8.264 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.629 0.451 7.848 1.00 0.00 H new ATOM 0 HD1 TRP A 7 3.720 -1.268 7.509 1.00 0.00 H new ATOM 0 HE1 TRP A 7 6.018 -1.323 8.676 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.948 3.607 8.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.765 0.575 10.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.861 4.436 10.323 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.791 2.937 10.814 1.00 0.00 H new ATOM 110 N GLY A 8 0.166 1.420 4.709 1.00 0.00 N ATOM 111 CA GLY A 8 -1.101 1.776 4.088 1.00 0.00 C ATOM 112 C GLY A 8 -1.252 0.907 2.850 1.00 0.00 C ATOM 113 O GLY A 8 -0.423 0.982 1.944 1.00 0.00 O ATOM 0 H GLY A 8 0.670 0.701 4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.928 1.610 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.116 2.833 3.821 1.00 0.00 H new ATOM 117 N GLN A 9 -2.282 0.052 2.828 1.00 0.00 N ATOM 118 CA GLN A 9 -2.441 -0.955 1.788 1.00 0.00 C ATOM 119 C GLN A 9 -2.634 -0.274 0.428 1.00 0.00 C ATOM 120 O GLN A 9 -3.224 0.803 0.345 1.00 0.00 O ATOM 121 CB GLN A 9 -3.573 -1.927 2.154 1.00 0.00 C ATOM 122 CG GLN A 9 -3.489 -3.222 1.331 1.00 0.00 C ATOM 123 CD GLN A 9 -4.517 -4.274 1.760 1.00 0.00 C ATOM 124 OE1 GLN A 9 -5.398 -4.010 2.577 1.00 0.00 O ATOM 125 NE2 GLN A 9 -4.393 -5.490 1.222 1.00 0.00 N ATOM 0 H GLN A 9 -3.022 0.044 3.530 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.537 -1.559 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.521 -2.165 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.536 -1.447 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.637 -2.986 0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.487 -3.641 1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.651 -5.676 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.040 -6.233 1.486 1.00 0.00 H new ATOM 134 N CYS A 10 -2.066 -0.879 -0.619 1.00 0.00 N ATOM 135 CA CYS A 10 -2.015 -0.346 -1.975 1.00 0.00 C ATOM 136 C CYS A 10 -2.378 -1.431 -2.995 1.00 0.00 C ATOM 137 O CYS A 10 -3.100 -1.150 -3.952 1.00 0.00 O ATOM 138 CB CYS A 10 -0.626 0.264 -2.240 1.00 0.00 C ATOM 139 SG CYS A 10 0.819 -0.832 -2.103 1.00 0.00 S ATOM 0 H CYS A 10 -1.613 -1.789 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.754 0.448 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.632 0.687 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.486 1.092 -1.546 1.00 0.00 H new ATOM 144 N GLY A 11 -1.891 -2.663 -2.777 1.00 0.00 N ATOM 145 CA GLY A 11 -2.192 -3.846 -3.573 1.00 0.00 C ATOM 146 C GLY A 11 -2.899 -4.895 -2.705 1.00 0.00 C ATOM 147 O GLY A 11 -2.530 -5.111 -1.548 1.00 0.00 O ATOM 0 H GLY A 11 -1.251 -2.862 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.825 -3.575 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.272 -4.262 -3.984 1.00 0.00 H new ATOM 151 N GLY A 12 -3.925 -5.544 -3.273 1.00 0.00 N ATOM 152 CA GLY A 12 -4.719 -6.569 -2.611 1.00 0.00 C ATOM 153 C GLY A 12 -6.052 -6.785 -3.328 1.00 0.00 C ATOM 154 O GLY A 12 -6.718 -5.817 -3.701 1.00 0.00 O ATOM 0 H GLY A 12 -4.227 -5.360 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.161 -7.505 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.902 -6.279 -1.576 1.00 0.00 H new ATOM 158 N ILE A 13 -6.448 -8.058 -3.499 1.00 0.00 N ATOM 159 CA ILE A 13 -7.694 -8.472 -4.139 1.00 0.00 C ATOM 160 C ILE A 13 -8.816 -8.405 -3.086 1.00 0.00 C ATOM 161 O ILE A 13 -9.334 -9.428 -2.637 1.00 0.00 O ATOM 162 CB ILE A 13 -7.531 -9.862 -4.809 1.00 0.00 C ATOM 163 CG1 ILE A 13 -6.314 -9.878 -5.763 1.00 0.00 C ATOM 164 CG2 ILE A 13 -8.802 -10.244 -5.596 1.00 0.00 C ATOM 165 CD1 ILE A 13 -5.987 -11.269 -6.322 1.00 0.00 C ATOM 0 H ILE A 13 -5.886 -8.848 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.965 -7.800 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.369 -10.591 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.505 -9.198 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.442 -9.495 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.664 -11.222 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.654 -10.280 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.987 -9.500 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.123 -11.202 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.763 -11.948 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.843 -11.647 -6.882 1.00 0.00 H new ATOM 177 N GLY A 14 -9.146 -7.177 -2.662 1.00 0.00 N ATOM 178 CA GLY A 14 -10.067 -6.932 -1.523 1.00 0.00 C ATOM 179 C GLY A 14 -10.156 -5.422 -1.287 1.00 0.00 C ATOM 180 O GLY A 14 -11.231 -4.834 -1.397 1.00 0.00 O ATOM 0 H GLY A 14 -8.788 -6.323 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.054 -7.340 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.703 -7.435 -0.627 1.00 0.00 H new ATOM 184 N TYR A 15 -9.003 -4.806 -0.980 1.00 0.00 N ATOM 185 CA TYR A 15 -8.823 -3.370 -0.794 1.00 0.00 C ATOM 186 C TYR A 15 -9.069 -2.629 -2.116 1.00 0.00 C ATOM 187 O TYR A 15 -8.537 -3.018 -3.156 1.00 0.00 O ATOM 188 CB TYR A 15 -7.399 -3.120 -0.268 1.00 0.00 C ATOM 189 CG TYR A 15 -7.013 -1.663 -0.048 1.00 0.00 C ATOM 190 CD1 TYR A 15 -7.263 -1.036 1.195 1.00 0.00 C ATOM 191 CD2 TYR A 15 -6.329 -0.953 -1.062 1.00 0.00 C ATOM 192 CE1 TYR A 15 -6.846 0.295 1.417 1.00 0.00 C ATOM 193 CE2 TYR A 15 -5.928 0.381 -0.845 1.00 0.00 C ATOM 194 CZ TYR A 15 -6.221 1.019 0.379 1.00 0.00 C ATOM 195 OH TYR A 15 -5.886 2.329 0.563 1.00 0.00 O ATOM 0 H TYR A 15 -8.135 -5.326 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 15 -9.543 -2.990 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -7.284 -3.652 0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.691 -3.560 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.775 -1.577 1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.113 -1.434 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.005 0.758 2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.395 0.916 -1.617 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.224 2.595 -0.109 1.00 0.00 H new ATOM 205 N SER A 16 -9.875 -1.560 -2.056 1.00 0.00 N ATOM 206 CA SER A 16 -10.239 -0.710 -3.180 1.00 0.00 C ATOM 207 C SER A 16 -10.123 0.751 -2.728 1.00 0.00 C ATOM 208 O SER A 16 -11.127 1.407 -2.451 1.00 0.00 O ATOM 209 CB SER A 16 -11.649 -1.074 -3.677 1.00 0.00 C ATOM 210 OG SER A 16 -11.691 -2.406 -4.149 1.00 0.00 O ATOM 0 H SER A 16 -10.305 -1.258 -1.182 1.00 0.00 H new ATOM 0 HA SER A 16 -9.568 -0.860 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.368 -0.948 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.945 -0.392 -4.474 1.00 0.00 H new ATOM 0 HG SER A 16 -12.597 -2.615 -4.458 1.00 0.00 H new ATOM 216 N GLY A 17 -8.880 1.246 -2.646 1.00 0.00 N ATOM 217 CA GLY A 17 -8.550 2.596 -2.210 1.00 0.00 C ATOM 218 C GLY A 17 -7.170 3.028 -2.711 1.00 0.00 C ATOM 219 O GLY A 17 -6.614 2.437 -3.638 1.00 0.00 O ATOM 0 H GLY A 17 -8.057 0.696 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.305 3.292 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.574 2.643 -1.121 1.00 0.00 H new ATOM 223 N CYS A 18 -6.631 4.081 -2.083 1.00 0.00 N ATOM 224 CA CYS A 18 -5.350 4.685 -2.393 1.00 0.00 C ATOM 225 C CYS A 18 -4.174 3.702 -2.448 1.00 0.00 C ATOM 226 O CYS A 18 -3.813 3.100 -1.437 1.00 0.00 O ATOM 227 CB CYS A 18 -5.063 5.876 -1.463 1.00 0.00 C ATOM 228 SG CYS A 18 -5.613 5.901 0.268 1.00 0.00 S ATOM 0 H CYS A 18 -7.106 4.549 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.441 5.055 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.982 6.012 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.490 6.758 -1.941 1.00 0.00 H new ATOM 233 N LYS A 19 -3.551 3.628 -3.634 1.00 0.00 N ATOM 234 CA LYS A 19 -2.238 3.042 -3.879 1.00 0.00 C ATOM 235 C LYS A 19 -1.099 4.068 -3.742 1.00 0.00 C ATOM 236 O LYS A 19 0.014 3.683 -3.390 1.00 0.00 O ATOM 237 CB LYS A 19 -2.191 2.282 -5.223 1.00 0.00 C ATOM 238 CG LYS A 19 -2.273 3.114 -6.512 1.00 0.00 C ATOM 239 CD LYS A 19 -3.721 3.524 -6.834 1.00 0.00 C ATOM 240 CE LYS A 19 -3.945 5.042 -6.802 1.00 0.00 C ATOM 241 NZ LYS A 19 -5.361 5.365 -7.025 1.00 0.00 N ATOM 0 H LYS A 19 -3.976 3.995 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.072 2.304 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.265 1.707 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.012 1.565 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.656 4.007 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.864 2.539 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.987 3.145 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.393 3.050 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.623 5.441 -5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.333 5.521 -7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.487 6.397 -7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.662 4.987 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.937 4.940 -6.271 1.00 0.00 H new ATOM 255 N THR A 20 -1.373 5.355 -4.019 1.00 0.00 N ATOM 256 CA THR A 20 -0.440 6.479 -3.953 1.00 0.00 C ATOM 257 C THR A 20 0.061 6.706 -2.514 1.00 0.00 C ATOM 258 O THR A 20 -0.499 7.511 -1.772 1.00 0.00 O ATOM 259 CB THR A 20 -1.115 7.738 -4.546 1.00 0.00 C ATOM 260 OG1 THR A 20 -1.594 7.467 -5.850 1.00 0.00 O ATOM 261 CG2 THR A 20 -0.151 8.933 -4.623 1.00 0.00 C ATOM 0 H THR A 20 -2.305 5.648 -4.311 1.00 0.00 H new ATOM 0 HA THR A 20 0.444 6.252 -4.549 1.00 0.00 H new ATOM 0 HB THR A 20 -1.937 7.997 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.021 8.270 -6.215 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.671 9.793 -5.046 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.204 9.179 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.698 8.675 -5.256 1.00 0.00 H new ATOM 269 N CYS A 21 1.150 6.011 -2.153 1.00 0.00 N ATOM 270 CA CYS A 21 1.926 6.151 -0.916 1.00 0.00 C ATOM 271 C CYS A 21 2.476 7.583 -0.775 1.00 0.00 C ATOM 272 O CYS A 21 2.723 8.250 -1.782 1.00 0.00 O ATOM 273 CB CYS A 21 3.058 5.119 -0.977 1.00 0.00 C ATOM 274 SG CYS A 21 2.502 3.414 -1.248 1.00 0.00 S ATOM 0 H CYS A 21 1.536 5.288 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 21 1.300 5.973 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.744 5.396 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.622 5.161 -0.045 1.00 0.00 H new ATOM 279 N THR A 22 2.663 8.068 0.464 1.00 0.00 N ATOM 280 CA THR A 22 3.091 9.444 0.735 1.00 0.00 C ATOM 281 C THR A 22 4.595 9.602 0.448 1.00 0.00 C ATOM 282 O THR A 22 5.300 8.625 0.192 1.00 0.00 O ATOM 283 CB THR A 22 2.699 9.845 2.176 1.00 0.00 C ATOM 284 OG1 THR A 22 2.877 11.234 2.379 1.00 0.00 O ATOM 285 CG2 THR A 22 3.472 9.075 3.255 1.00 0.00 C ATOM 0 H THR A 22 2.520 7.512 1.307 1.00 0.00 H new ATOM 0 HA THR A 22 2.575 10.132 0.065 1.00 0.00 H new ATOM 0 HB THR A 22 1.646 9.582 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.622 11.466 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.147 9.406 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.279 8.007 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.540 9.264 3.142 1.00 0.00 H new ATOM 293 N SER A 23 5.087 10.846 0.497 1.00 0.00 N ATOM 294 CA SER A 23 6.500 11.181 0.329 1.00 0.00 C ATOM 295 C SER A 23 7.359 10.449 1.376 1.00 0.00 C ATOM 296 O SER A 23 7.160 10.635 2.577 1.00 0.00 O ATOM 297 CB SER A 23 6.692 12.706 0.385 1.00 0.00 C ATOM 298 OG SER A 23 6.254 13.250 1.615 1.00 0.00 O ATOM 0 H SER A 23 4.498 11.663 0.658 1.00 0.00 H new ATOM 0 HA SER A 23 6.835 10.843 -0.652 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.745 12.945 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.142 13.171 -0.433 1.00 0.00 H new ATOM 0 HG SER A 23 6.425 12.608 2.336 1.00 0.00 H new ATOM 304 N GLY A 24 8.282 9.594 0.907 1.00 0.00 N ATOM 305 CA GLY A 24 9.112 8.712 1.726 1.00 0.00 C ATOM 306 C GLY A 24 8.793 7.222 1.535 1.00 0.00 C ATOM 307 O GLY A 24 9.645 6.382 1.821 1.00 0.00 O ATOM 0 H GLY A 24 8.474 9.499 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.161 8.885 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.979 8.972 2.776 1.00 0.00 H new ATOM 311 N THR A 25 7.577 6.895 1.070 1.00 0.00 N ATOM 312 CA THR A 25 7.073 5.535 0.866 1.00 0.00 C ATOM 313 C THR A 25 6.648 5.311 -0.589 1.00 0.00 C ATOM 314 O THR A 25 6.141 6.218 -1.249 1.00 0.00 O ATOM 315 CB THR A 25 5.930 5.224 1.841 1.00 0.00 C ATOM 316 OG1 THR A 25 4.912 6.204 1.806 1.00 0.00 O ATOM 317 CG2 THR A 25 6.495 5.123 3.259 1.00 0.00 C ATOM 0 H THR A 25 6.891 7.606 0.816 1.00 0.00 H new ATOM 0 HA THR A 25 7.886 4.840 1.076 1.00 0.00 H new ATOM 0 HB THR A 25 5.481 4.278 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.117 6.864 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.688 4.902 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.238 4.326 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.963 6.069 3.533 1.00 0.00 H new ATOM 325 N THR A 26 6.856 4.076 -1.068 1.00 0.00 N ATOM 326 CA THR A 26 6.400 3.552 -2.353 1.00 0.00 C ATOM 327 C THR A 26 5.623 2.249 -2.113 1.00 0.00 C ATOM 328 O THR A 26 5.866 1.547 -1.130 1.00 0.00 O ATOM 329 CB THR A 26 7.595 3.328 -3.301 1.00 0.00 C ATOM 330 OG1 THR A 26 8.490 2.366 -2.774 1.00 0.00 O ATOM 331 CG2 THR A 26 8.354 4.632 -3.592 1.00 0.00 C ATOM 0 H THR A 26 7.377 3.380 -0.534 1.00 0.00 H new ATOM 0 HA THR A 26 5.739 4.274 -2.832 1.00 0.00 H new ATOM 0 HB THR A 26 7.182 2.958 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.238 2.241 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.187 4.426 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.679 5.349 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.734 5.048 -2.659 1.00 0.00 H new ATOM 339 N CYS A 27 4.690 1.916 -3.018 1.00 0.00 N ATOM 340 CA CYS A 27 3.871 0.712 -2.916 1.00 0.00 C ATOM 341 C CYS A 27 4.761 -0.520 -3.127 1.00 0.00 C ATOM 342 O CYS A 27 5.270 -0.742 -4.225 1.00 0.00 O ATOM 343 CB CYS A 27 2.689 0.774 -3.896 1.00 0.00 C ATOM 344 SG CYS A 27 1.673 -0.734 -3.957 1.00 0.00 S ATOM 0 H CYS A 27 4.486 2.481 -3.842 1.00 0.00 H new ATOM 0 HA CYS A 27 3.433 0.639 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.051 1.615 -3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.073 0.978 -4.895 1.00 0.00 H new ATOM 349 N GLN A 28 4.953 -1.293 -2.049 1.00 0.00 N ATOM 350 CA GLN A 28 5.813 -2.469 -1.969 1.00 0.00 C ATOM 351 C GLN A 28 4.992 -3.757 -1.848 1.00 0.00 C ATOM 352 O GLN A 28 3.763 -3.737 -1.777 1.00 0.00 O ATOM 353 CB GLN A 28 6.793 -2.334 -0.779 1.00 0.00 C ATOM 354 CG GLN A 28 8.029 -1.453 -1.020 1.00 0.00 C ATOM 355 CD GLN A 28 8.679 -1.637 -2.394 1.00 0.00 C ATOM 356 OE1 GLN A 28 9.457 -2.566 -2.599 1.00 0.00 O ATOM 357 NE2 GLN A 28 8.361 -0.749 -3.342 1.00 0.00 N ATOM 0 H GLN A 28 4.484 -1.099 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 28 6.387 -2.530 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.245 -1.932 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.132 -3.331 -0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.743 -0.408 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.769 -1.668 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.711 0.009 -3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.768 -0.830 -4.274 1.00 0.00 H new ATOM 366 N TYR A 29 5.719 -4.883 -1.842 1.00 0.00 N ATOM 367 CA TYR A 29 5.196 -6.242 -1.788 1.00 0.00 C ATOM 368 C TYR A 29 5.646 -6.916 -0.485 1.00 0.00 C ATOM 369 O TYR A 29 6.827 -6.868 -0.139 1.00 0.00 O ATOM 370 CB TYR A 29 5.698 -7.019 -3.018 1.00 0.00 C ATOM 371 CG TYR A 29 5.203 -8.455 -3.114 1.00 0.00 C ATOM 372 CD1 TYR A 29 5.899 -9.491 -2.448 1.00 0.00 C ATOM 373 CD2 TYR A 29 4.058 -8.766 -3.882 1.00 0.00 C ATOM 374 CE1 TYR A 29 5.440 -10.822 -2.532 1.00 0.00 C ATOM 375 CE2 TYR A 29 3.619 -10.101 -3.991 1.00 0.00 C ATOM 376 CZ TYR A 29 4.293 -11.127 -3.295 1.00 0.00 C ATOM 377 OH TYR A 29 3.839 -12.413 -3.365 1.00 0.00 O ATOM 0 H TYR A 29 6.738 -4.862 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 29 4.106 -6.229 -1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.393 -6.484 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.788 -7.026 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.784 -9.262 -1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.518 -7.979 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.967 -11.608 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.765 -10.339 -4.608 1.00 0.00 H new ATOM 0 HH TYR A 29 4.063 -12.884 -2.536 1.00 0.00 H new ATOM 387 N SER A 30 4.708 -7.587 0.199 1.00 0.00 N ATOM 388 CA SER A 30 4.975 -8.532 1.280 1.00 0.00 C ATOM 389 C SER A 30 4.329 -9.866 0.885 1.00 0.00 C ATOM 390 O SER A 30 5.037 -10.811 0.540 1.00 0.00 O ATOM 391 CB SER A 30 4.471 -7.984 2.627 1.00 0.00 C ATOM 392 OG SER A 30 5.160 -6.800 2.975 1.00 0.00 O ATOM 0 H SER A 30 3.712 -7.480 0.005 1.00 0.00 H new ATOM 0 HA SER A 30 6.045 -8.685 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.401 -7.783 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.611 -8.734 3.405 1.00 0.00 H new ATOM 0 HG SER A 30 4.824 -6.466 3.833 1.00 0.00 H new ATOM 398 N ASN A 31 2.988 -9.924 0.904 1.00 0.00 N ATOM 399 CA ASN A 31 2.175 -10.948 0.249 1.00 0.00 C ATOM 400 C ASN A 31 1.538 -10.380 -1.032 1.00 0.00 C ATOM 401 O ASN A 31 1.524 -9.169 -1.263 1.00 0.00 O ATOM 402 CB ASN A 31 1.130 -11.477 1.252 1.00 0.00 C ATOM 403 CG ASN A 31 0.327 -12.686 0.753 1.00 0.00 C ATOM 404 OD1 ASN A 31 0.847 -13.535 0.032 1.00 0.00 O ATOM 405 ND2 ASN A 31 -0.949 -12.774 1.140 1.00 0.00 N ATOM 0 H ASN A 31 2.424 -9.231 1.396 1.00 0.00 H new ATOM 0 HA ASN A 31 2.796 -11.789 -0.059 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.638 -11.750 2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.437 -10.671 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.521 -13.562 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.351 -12.053 1.739 1.00 0.00 H new ATOM 412 N ASP A 32 0.979 -11.279 -1.851 1.00 0.00 N ATOM 413 CA ASP A 32 0.129 -10.974 -2.997 1.00 0.00 C ATOM 414 C ASP A 32 -1.086 -10.143 -2.563 1.00 0.00 C ATOM 415 O ASP A 32 -1.331 -9.069 -3.113 1.00 0.00 O ATOM 416 CB ASP A 32 -0.317 -12.290 -3.657 1.00 0.00 C ATOM 417 CG ASP A 32 0.858 -13.096 -4.216 1.00 0.00 C ATOM 418 OD1 ASP A 32 1.262 -14.082 -3.603 1.00 0.00 O ATOM 419 OD2 ASP A 32 1.390 -12.645 -5.388 1.00 0.00 O ATOM 0 H ASP A 32 1.116 -12.282 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 32 0.693 -10.383 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.853 -12.895 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.017 -12.069 -4.463 1.00 0.00 H new ATOM 425 N TYR A 33 -1.836 -10.645 -1.570 1.00 0.00 N ATOM 426 CA TYR A 33 -3.034 -10.008 -1.033 1.00 0.00 C ATOM 427 C TYR A 33 -2.697 -8.804 -0.138 1.00 0.00 C ATOM 428 O TYR A 33 -3.494 -7.870 -0.085 1.00 0.00 O ATOM 429 CB TYR A 33 -3.915 -11.040 -0.304 1.00 0.00 C ATOM 430 CG TYR A 33 -4.462 -12.138 -1.206 1.00 0.00 C ATOM 431 CD1 TYR A 33 -3.684 -13.286 -1.483 1.00 0.00 C ATOM 432 CD2 TYR A 33 -5.726 -11.988 -1.822 1.00 0.00 C ATOM 433 CE1 TYR A 33 -4.166 -14.277 -2.363 1.00 0.00 C ATOM 434 CE2 TYR A 33 -6.218 -12.989 -2.686 1.00 0.00 C ATOM 435 CZ TYR A 33 -5.435 -14.129 -2.965 1.00 0.00 C ATOM 436 OH TYR A 33 -5.908 -15.087 -3.817 1.00 0.00 O ATOM 0 H TYR A 33 -1.615 -11.528 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.606 -9.613 -1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.333 -11.498 0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.750 -10.521 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.716 -13.404 -1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.317 -11.104 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.565 -15.149 -2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.195 -12.883 -3.134 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.796 -14.828 -4.140 1.00 0.00 H new ATOM 446 N TYR A 34 -1.549 -8.815 0.563 1.00 0.00 N ATOM 447 CA TYR A 34 -1.089 -7.724 1.422 1.00 0.00 C ATOM 448 C TYR A 34 0.167 -7.082 0.817 1.00 0.00 C ATOM 449 O TYR A 34 1.287 -7.415 1.201 1.00 0.00 O ATOM 450 CB TYR A 34 -0.872 -8.241 2.861 1.00 0.00 C ATOM 451 CG TYR A 34 -0.617 -7.147 3.888 1.00 0.00 C ATOM 452 CD1 TYR A 34 -1.650 -6.240 4.220 1.00 0.00 C ATOM 453 CD2 TYR A 34 0.626 -7.065 4.557 1.00 0.00 C ATOM 454 CE1 TYR A 34 -1.454 -5.283 5.238 1.00 0.00 C ATOM 455 CE2 TYR A 34 0.816 -6.117 5.584 1.00 0.00 C ATOM 456 CZ TYR A 34 -0.232 -5.241 5.942 1.00 0.00 C ATOM 457 OH TYR A 34 -0.064 -4.365 6.976 1.00 0.00 O ATOM 0 H TYR A 34 -0.904 -9.605 0.543 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.848 -6.944 1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.749 -8.812 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.027 -8.930 2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.592 -6.280 3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.431 -7.729 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.240 -4.582 5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.765 -6.061 6.097 1.00 0.00 H new ATOM 0 HH TYR A 34 0.836 -4.469 7.350 1.00 0.00 H new ATOM 467 N SER A 35 -0.038 -6.143 -0.118 1.00 0.00 N ATOM 468 CA SER A 35 0.985 -5.277 -0.704 1.00 0.00 C ATOM 469 C SER A 35 0.758 -3.852 -0.168 1.00 0.00 C ATOM 470 O SER A 35 -0.358 -3.338 -0.243 1.00 0.00 O ATOM 471 CB SER A 35 0.909 -5.370 -2.239 1.00 0.00 C ATOM 472 OG SER A 35 1.557 -6.541 -2.694 1.00 0.00 O ATOM 0 H SER A 35 -0.966 -5.961 -0.501 1.00 0.00 H new ATOM 0 HA SER A 35 1.993 -5.584 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.133 -5.376 -2.558 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.374 -4.492 -2.686 1.00 0.00 H new ATOM 0 HG SER A 35 1.403 -7.269 -2.056 1.00 0.00 H new ATOM 478 N GLN A 36 1.803 -3.255 0.434 1.00 0.00 N ATOM 479 CA GLN A 36 1.707 -2.147 1.389 1.00 0.00 C ATOM 480 C GLN A 36 2.733 -1.039 1.102 1.00 0.00 C ATOM 481 O GLN A 36 3.822 -1.308 0.600 1.00 0.00 O ATOM 482 CB GLN A 36 1.916 -2.731 2.799 1.00 0.00 C ATOM 483 CG GLN A 36 1.718 -1.702 3.924 1.00 0.00 C ATOM 484 CD GLN A 36 1.843 -2.322 5.317 1.00 0.00 C ATOM 485 OE1 GLN A 36 2.500 -3.346 5.496 1.00 0.00 O ATOM 486 NE2 GLN A 36 1.213 -1.704 6.319 1.00 0.00 N ATOM 0 H GLN A 36 2.766 -3.543 0.260 1.00 0.00 H new ATOM 0 HA GLN A 36 0.726 -1.679 1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.222 -3.558 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.923 -3.143 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.455 -0.906 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.735 -1.242 3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.676 -0.856 6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.269 -2.080 7.266 1.00 0.00 H new ATOM 495 N CYS A 37 2.389 0.206 1.471 1.00 0.00 N ATOM 496 CA CYS A 37 3.239 1.392 1.383 1.00 0.00 C ATOM 497 C CYS A 37 4.396 1.322 2.384 1.00 0.00 C ATOM 498 O CYS A 37 4.156 1.301 3.589 1.00 0.00 O ATOM 499 CB CYS A 37 2.393 2.651 1.636 1.00 0.00 C ATOM 500 SG CYS A 37 1.240 3.049 0.301 1.00 0.00 S ATOM 0 H CYS A 37 1.468 0.416 1.855 1.00 0.00 H new ATOM 0 HA CYS A 37 3.668 1.436 0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.830 2.517 2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.060 3.499 1.790 1.00 0.00 H new ATOM 505 N LEU A 38 5.638 1.294 1.877 1.00 0.00 N ATOM 506 CA LEU A 38 6.874 1.135 2.644 1.00 0.00 C ATOM 507 C LEU A 38 8.020 1.915 1.978 1.00 0.00 C ATOM 508 O LEU A 38 8.058 1.958 0.728 1.00 0.00 O ATOM 509 CB LEU A 38 7.251 -0.357 2.762 1.00 0.00 C ATOM 510 CG LEU A 38 6.212 -1.247 3.477 1.00 0.00 C ATOM 511 CD1 LEU A 38 6.629 -2.723 3.380 1.00 0.00 C ATOM 512 CD2 LEU A 38 6.051 -0.867 4.959 1.00 0.00 C ATOM 513 OXT LEU A 38 8.866 2.438 2.736 1.00 0.00 O ATOM 0 H LEU A 38 5.811 1.386 0.876 1.00 0.00 H new ATOM 0 HA LEU A 38 6.709 1.534 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.416 -0.753 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.199 -0.434 3.295 1.00 0.00 H new ATOM 0 HG LEU A 38 5.255 -1.091 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.890 -3.344 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.691 -3.016 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.602 -2.858 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.311 -1.518 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.007 -0.982 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.721 0.169 5.035 1.00 0.00 H new TER 525 LEU A 38