USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 260 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 1 ASN : amide:sc=-0.00115 K(o=-0.0011,f=-0.85) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 80:sc= 0.703 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -30:sc= 0.0375 USER MOD Single : A 24 TYR OH : rot 159:sc= 0.153 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 20:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 13.579 24.866 32.754 1.00 20.00 N ATOM 2 CA ASN A 1 14.383 24.379 31.621 1.00 20.00 C ATOM 3 C ASN A 1 15.059 23.050 31.956 1.00 20.00 C ATOM 4 O ASN A 1 16.018 23.012 32.728 1.00 20.00 O ATOM 5 CB ASN A 1 15.425 25.412 31.180 1.00 20.00 C ATOM 6 CG ASN A 1 14.823 26.651 30.527 1.00 20.00 C ATOM 7 OD1 ASN A 1 13.766 26.592 29.902 1.00 20.00 O ATOM 8 ND2 ASN A 1 15.509 27.785 30.652 1.00 20.00 N ATOM 0 H1 ASN A 1 13.131 25.770 32.499 1.00 20.00 H new ATOM 0 H2 ASN A 1 12.843 24.168 32.983 1.00 20.00 H new ATOM 0 H3 ASN A 1 14.194 25.005 33.581 1.00 20.00 H new ATOM 0 HA ASN A 1 13.698 24.218 30.788 1.00 20.00 H new ATOM 0 HB2 ASN A 1 16.010 25.718 32.047 1.00 20.00 H new ATOM 0 HB3 ASN A 1 16.115 24.942 30.479 1.00 20.00 H new ATOM 0 HD21 ASN A 1 15.161 28.642 30.222 1.00 20.00 H new ATOM 0 HD22 ASN A 1 16.383 27.797 31.178 1.00 20.00 H new ATOM 17 N GLU A 2 14.545 21.963 31.369 1.00 20.00 N ATOM 18 CA GLU A 2 14.992 20.598 31.637 1.00 20.00 C ATOM 19 C GLU A 2 16.365 20.297 31.021 1.00 20.00 C ATOM 20 O GLU A 2 17.215 19.731 31.707 1.00 20.00 O ATOM 21 CB GLU A 2 13.930 19.617 31.120 1.00 20.00 C ATOM 22 CG GLU A 2 14.098 18.220 31.728 1.00 20.00 C ATOM 23 CD GLU A 2 12.968 17.291 31.286 1.00 20.00 C ATOM 24 OE1 GLU A 2 13.180 16.558 30.295 1.00 20.00 O ATOM 25 OE2 GLU A 2 11.902 17.329 31.942 1.00 20.00 O ATOM 0 H GLU A 2 13.793 22.012 30.682 1.00 20.00 H new ATOM 0 HA GLU A 2 15.112 20.482 32.714 1.00 20.00 H new ATOM 0 HB2 GLU A 2 12.937 19.999 31.357 1.00 20.00 H new ATOM 0 HB3 GLU A 2 13.995 19.551 30.034 1.00 20.00 H new ATOM 0 HG2 GLU A 2 15.058 17.801 31.425 1.00 20.00 H new ATOM 0 HG3 GLU A 2 14.110 18.292 32.816 1.00 20.00 H new ATOM 32 N CYS A 3 16.586 20.673 29.750 1.00 20.00 N ATOM 33 CA CYS A 3 17.845 20.421 29.041 1.00 20.00 C ATOM 34 C CYS A 3 18.995 21.305 29.544 1.00 20.00 C ATOM 35 O CYS A 3 20.157 20.921 29.431 1.00 20.00 O ATOM 36 CB CYS A 3 17.681 20.644 27.534 1.00 20.00 C ATOM 37 SG CYS A 3 18.811 19.607 26.557 1.00 20.00 S ATOM 0 H CYS A 3 15.891 21.162 29.186 1.00 20.00 H new ATOM 0 HA CYS A 3 18.097 19.380 29.242 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.652 20.427 27.247 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.862 21.694 27.302 1.00 20.00 H new ATOM 42 N VAL A 4 18.680 22.477 30.111 1.00 20.00 N ATOM 43 CA VAL A 4 19.657 23.360 30.747 1.00 20.00 C ATOM 44 C VAL A 4 20.124 22.742 32.074 1.00 20.00 C ATOM 45 O VAL A 4 21.306 22.838 32.401 1.00 20.00 O ATOM 46 CB VAL A 4 19.044 24.763 30.950 1.00 20.00 C ATOM 47 CG1 VAL A 4 20.038 25.711 31.640 1.00 20.00 C ATOM 48 CG2 VAL A 4 18.600 25.405 29.616 1.00 20.00 C ATOM 0 H VAL A 4 17.727 22.840 30.139 1.00 20.00 H new ATOM 0 HA VAL A 4 20.530 23.472 30.104 1.00 20.00 H new ATOM 0 HB VAL A 4 18.168 24.620 31.582 1.00 20.00 H new ATOM 0 HG11 VAL A 4 19.577 26.690 31.769 1.00 20.00 H new ATOM 0 HG12 VAL A 4 20.309 25.307 32.615 1.00 20.00 H new ATOM 0 HG13 VAL A 4 20.933 25.809 31.026 1.00 20.00 H new ATOM 0 HG21 VAL A 4 18.175 26.390 29.810 1.00 20.00 H new ATOM 0 HG22 VAL A 4 19.461 25.505 28.956 1.00 20.00 H new ATOM 0 HG23 VAL A 4 17.849 24.774 29.140 1.00 20.00 H new ATOM 58 N SER A 5 19.219 22.072 32.809 1.00 20.00 N ATOM 59 CA SER A 5 19.516 21.376 34.063 1.00 20.00 C ATOM 60 C SER A 5 20.386 20.121 33.870 1.00 20.00 C ATOM 61 O SER A 5 20.944 19.626 34.851 1.00 20.00 O ATOM 62 CB SER A 5 18.213 20.998 34.781 1.00 20.00 C ATOM 63 OG SER A 5 17.455 22.143 35.109 1.00 20.00 O ATOM 0 H SER A 5 18.239 22.001 32.537 1.00 20.00 H new ATOM 0 HA SER A 5 20.093 22.072 34.672 1.00 20.00 H new ATOM 0 HB2 SER A 5 17.623 20.339 34.144 1.00 20.00 H new ATOM 0 HB3 SER A 5 18.444 20.441 35.689 1.00 20.00 H new ATOM 0 HG SER A 5 16.966 22.450 34.317 1.00 20.00 H new ATOM 69 N LYS A 6 20.552 19.631 32.628 1.00 20.00 N ATOM 70 CA LYS A 6 21.525 18.592 32.271 1.00 20.00 C ATOM 71 C LYS A 6 22.976 19.104 32.354 1.00 20.00 C ATOM 72 O LYS A 6 23.904 18.296 32.281 1.00 20.00 O ATOM 73 CB LYS A 6 21.242 18.061 30.855 1.00 20.00 C ATOM 74 CG LYS A 6 19.856 17.417 30.690 1.00 20.00 C ATOM 75 CD LYS A 6 19.726 16.001 31.267 1.00 20.00 C ATOM 76 CE LYS A 6 20.414 14.979 30.355 1.00 20.00 C ATOM 77 NZ LYS A 6 20.064 13.599 30.723 1.00 20.00 N ATOM 0 H LYS A 6 20.002 19.955 31.832 1.00 20.00 H new ATOM 0 HA LYS A 6 21.415 17.785 32.995 1.00 20.00 H new ATOM 0 HB2 LYS A 6 21.335 18.883 30.145 1.00 20.00 H new ATOM 0 HB3 LYS A 6 22.005 17.327 30.595 1.00 20.00 H new ATOM 0 HG2 LYS A 6 19.115 18.057 31.168 1.00 20.00 H new ATOM 0 HG3 LYS A 6 19.611 17.384 29.628 1.00 20.00 H new ATOM 0 HD2 LYS A 6 20.171 15.966 32.261 1.00 20.00 H new ATOM 0 HD3 LYS A 6 18.673 15.744 31.380 1.00 20.00 H new ATOM 0 HE2 LYS A 6 20.127 15.164 29.320 1.00 20.00 H new ATOM 0 HE3 LYS A 6 21.495 15.108 30.414 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 20.548 12.936 30.084 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 20.361 13.415 31.703 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 19.035 13.469 30.643 1.00 20.00 H new ATOM 91 N GLY A 7 23.174 20.421 32.522 1.00 20.00 N ATOM 92 CA GLY A 7 24.470 21.070 32.683 1.00 20.00 C ATOM 93 C GLY A 7 24.996 21.725 31.403 1.00 20.00 C ATOM 94 O GLY A 7 26.049 22.358 31.454 1.00 20.00 O ATOM 0 H GLY A 7 22.399 21.084 32.549 1.00 20.00 H new ATOM 0 HA2 GLY A 7 24.392 21.828 33.462 1.00 20.00 H new ATOM 0 HA3 GLY A 7 25.195 20.332 33.027 1.00 20.00 H new ATOM 98 N PHE A 8 24.276 21.592 30.278 1.00 20.00 N ATOM 99 CA PHE A 8 24.613 22.228 29.010 1.00 20.00 C ATOM 100 C PHE A 8 23.943 23.601 28.931 1.00 20.00 C ATOM 101 O PHE A 8 24.472 24.585 29.449 1.00 20.00 O ATOM 102 CB PHE A 8 24.222 21.308 27.838 1.00 20.00 C ATOM 103 CG PHE A 8 24.911 19.969 27.855 1.00 20.00 C ATOM 104 CD1 PHE A 8 26.143 19.801 27.205 1.00 20.00 C ATOM 105 CD2 PHE A 8 24.305 18.888 28.516 1.00 20.00 C ATOM 106 CE1 PHE A 8 26.765 18.544 27.202 1.00 20.00 C ATOM 107 CE2 PHE A 8 24.941 17.636 28.540 1.00 20.00 C ATOM 108 CZ PHE A 8 26.171 17.463 27.875 1.00 20.00 C ATOM 0 H PHE A 8 23.428 21.027 30.231 1.00 20.00 H new ATOM 0 HA PHE A 8 25.689 22.387 28.943 1.00 20.00 H new ATOM 0 HB2 PHE A 8 23.144 21.151 27.857 1.00 20.00 H new ATOM 0 HB3 PHE A 8 24.454 21.813 26.900 1.00 20.00 H new ATOM 0 HD1 PHE A 8 26.611 20.638 26.708 1.00 20.00 H new ATOM 0 HD2 PHE A 8 23.351 19.019 29.005 1.00 20.00 H new ATOM 0 HE1 PHE A 8 27.702 18.407 26.682 1.00 20.00 H new ATOM 0 HE2 PHE A 8 24.489 16.809 29.066 1.00 20.00 H new ATOM 0 HZ PHE A 8 26.658 16.499 27.883 1.00 20.00 H new ATOM 118 N GLY A 9 22.782 23.651 28.272 1.00 20.00 N ATOM 119 CA GLY A 9 22.073 24.863 27.916 1.00 20.00 C ATOM 120 C GLY A 9 20.942 24.572 26.930 1.00 20.00 C ATOM 121 O GLY A 9 20.402 23.467 26.895 1.00 20.00 O ATOM 0 H GLY A 9 22.298 22.808 27.963 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.666 25.326 28.815 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.768 25.578 27.476 1.00 20.00 H new ATOM 125 N CYS A 10 20.576 25.599 26.155 1.00 20.00 N ATOM 126 CA CYS A 10 19.577 25.526 25.096 1.00 20.00 C ATOM 127 C CYS A 10 19.925 26.539 23.997 1.00 20.00 C ATOM 128 O CYS A 10 20.413 27.630 24.296 1.00 20.00 O ATOM 129 CB CYS A 10 18.199 25.825 25.699 1.00 20.00 C ATOM 130 SG CYS A 10 16.803 25.260 24.700 1.00 20.00 S ATOM 0 H CYS A 10 20.982 26.529 26.255 1.00 20.00 H new ATOM 0 HA CYS A 10 19.562 24.531 24.652 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.138 25.358 26.682 1.00 20.00 H new ATOM 0 HB3 CYS A 10 18.109 26.901 25.851 1.00 20.00 H new ATOM 135 N LEU A 11 19.645 26.183 22.735 1.00 20.00 N ATOM 136 CA LEU A 11 19.935 26.979 21.538 1.00 20.00 C ATOM 137 C LEU A 11 18.640 27.224 20.736 1.00 20.00 C ATOM 138 O LEU A 11 17.660 26.498 20.914 1.00 20.00 O ATOM 139 CB LEU A 11 21.003 26.251 20.685 1.00 20.00 C ATOM 140 CG LEU A 11 22.465 26.725 20.840 1.00 20.00 C ATOM 141 CD1 LEU A 11 22.906 27.038 22.273 1.00 20.00 C ATOM 142 CD2 LEU A 11 23.452 25.711 20.253 1.00 20.00 C ATOM 0 H LEU A 11 19.192 25.296 22.514 1.00 20.00 H new ATOM 0 HA LEU A 11 20.331 27.952 21.828 1.00 20.00 H new ATOM 0 HB2 LEU A 11 20.964 25.189 20.927 1.00 20.00 H new ATOM 0 HB3 LEU A 11 20.724 26.350 19.636 1.00 20.00 H new ATOM 0 HG LEU A 11 22.482 27.663 20.285 1.00 20.00 H new ATOM 0 HD11 LEU A 11 23.947 27.362 22.271 1.00 20.00 H new ATOM 0 HD12 LEU A 11 22.280 27.832 22.681 1.00 20.00 H new ATOM 0 HD13 LEU A 11 22.805 26.144 22.888 1.00 20.00 H new ATOM 0 HD21 LEU A 11 24.470 26.079 20.380 1.00 20.00 H new ATOM 0 HD22 LEU A 11 23.343 24.757 20.769 1.00 20.00 H new ATOM 0 HD23 LEU A 11 23.246 25.575 19.191 1.00 20.00 H new ATOM 154 N PRO A 12 18.621 28.240 19.848 1.00 20.00 N ATOM 155 CA PRO A 12 17.466 28.590 19.028 1.00 20.00 C ATOM 156 C PRO A 12 17.285 27.649 17.825 1.00 20.00 C ATOM 157 O PRO A 12 18.146 26.827 17.506 1.00 20.00 O ATOM 158 CB PRO A 12 17.732 30.033 18.581 1.00 20.00 C ATOM 159 CG PRO A 12 19.250 30.076 18.462 1.00 20.00 C ATOM 160 CD PRO A 12 19.693 29.201 19.634 1.00 20.00 C ATOM 0 HA PRO A 12 16.537 28.492 19.589 1.00 20.00 H new ATOM 0 HB2 PRO A 12 17.246 30.258 17.632 1.00 20.00 H new ATOM 0 HB3 PRO A 12 17.363 30.756 19.308 1.00 20.00 H new ATOM 0 HG2 PRO A 12 19.594 29.681 17.506 1.00 20.00 H new ATOM 0 HG3 PRO A 12 19.636 31.092 18.544 1.00 20.00 H new ATOM 0 HD2 PRO A 12 20.631 28.694 19.409 1.00 20.00 H new ATOM 0 HD3 PRO A 12 19.862 29.802 20.527 1.00 20.00 H new ATOM 168 N GLN A 13 16.146 27.822 17.143 1.00 20.00 N ATOM 169 CA GLN A 13 15.671 27.068 15.980 1.00 20.00 C ATOM 170 C GLN A 13 16.503 27.286 14.699 1.00 20.00 C ATOM 171 O GLN A 13 16.206 26.665 13.678 1.00 20.00 O ATOM 172 CB GLN A 13 14.204 27.468 15.734 1.00 20.00 C ATOM 173 CG GLN A 13 13.271 26.996 16.861 1.00 20.00 C ATOM 174 CD GLN A 13 11.904 27.679 16.794 1.00 20.00 C ATOM 175 OE1 GLN A 13 11.171 27.529 15.822 1.00 20.00 O ATOM 176 NE2 GLN A 13 11.543 28.426 17.837 1.00 20.00 N ATOM 0 H GLN A 13 15.483 28.549 17.412 1.00 20.00 H new ATOM 0 HA GLN A 13 15.774 26.007 16.207 1.00 20.00 H new ATOM 0 HB2 GLN A 13 14.137 28.552 15.640 1.00 20.00 H new ATOM 0 HB3 GLN A 13 13.869 27.045 14.787 1.00 20.00 H new ATOM 0 HG2 GLN A 13 13.141 25.916 16.796 1.00 20.00 H new ATOM 0 HG3 GLN A 13 13.734 27.204 17.826 1.00 20.00 H new ATOM 0 HE21 GLN A 13 12.174 28.532 18.631 1.00 20.00 H new ATOM 0 HE22 GLN A 13 10.635 28.892 17.841 1.00 20.00 H new ATOM 185 N SER A 14 17.529 28.151 14.741 1.00 20.00 N ATOM 186 CA SER A 14 18.380 28.520 13.606 1.00 20.00 C ATOM 187 C SER A 14 19.882 28.416 13.924 1.00 20.00 C ATOM 188 O SER A 14 20.697 28.790 13.080 1.00 20.00 O ATOM 189 CB SER A 14 18.011 29.934 13.132 1.00 20.00 C ATOM 190 OG SER A 14 16.674 29.977 12.674 1.00 20.00 O ATOM 0 H SER A 14 17.796 28.629 15.601 1.00 20.00 H new ATOM 0 HA SER A 14 18.195 27.804 12.805 1.00 20.00 H new ATOM 0 HB2 SER A 14 18.143 30.643 13.950 1.00 20.00 H new ATOM 0 HB3 SER A 14 18.684 30.242 12.332 1.00 20.00 H new ATOM 0 HG SER A 14 16.459 30.886 12.378 1.00 20.00 H new ATOM 196 N ASP A 15 20.255 27.908 15.111 1.00 20.00 N ATOM 197 CA ASP A 15 21.645 27.709 15.530 1.00 20.00 C ATOM 198 C ASP A 15 21.876 26.349 16.211 1.00 20.00 C ATOM 199 O ASP A 15 22.960 26.116 16.746 1.00 20.00 O ATOM 200 CB ASP A 15 22.083 28.876 16.432 1.00 20.00 C ATOM 201 CG ASP A 15 23.604 29.043 16.503 1.00 20.00 C ATOM 202 OD1 ASP A 15 24.109 29.215 17.633 1.00 20.00 O ATOM 203 OD2 ASP A 15 24.249 29.019 15.430 1.00 20.00 O ATOM 0 H ASP A 15 19.580 27.619 15.819 1.00 20.00 H new ATOM 0 HA ASP A 15 22.265 27.697 14.634 1.00 20.00 H new ATOM 0 HB2 ASP A 15 21.639 29.800 16.062 1.00 20.00 H new ATOM 0 HB3 ASP A 15 21.694 28.716 17.437 1.00 20.00 H new ATOM 208 N CYS A 16 20.886 25.444 16.173 1.00 20.00 N ATOM 209 CA CYS A 16 20.995 24.081 16.675 1.00 20.00 C ATOM 210 C CYS A 16 20.851 23.093 15.504 1.00 20.00 C ATOM 211 O CYS A 16 19.761 22.555 15.294 1.00 20.00 O ATOM 212 CB CYS A 16 19.977 23.865 17.805 1.00 20.00 C ATOM 213 SG CYS A 16 20.004 22.231 18.593 1.00 20.00 S ATOM 0 H CYS A 16 19.968 25.653 15.781 1.00 20.00 H new ATOM 0 HA CYS A 16 21.977 23.900 17.112 1.00 20.00 H new ATOM 0 HB2 CYS A 16 20.149 24.620 18.572 1.00 20.00 H new ATOM 0 HB3 CYS A 16 18.978 24.038 17.406 1.00 20.00 H new ATOM 218 N PRO A 17 21.926 22.854 14.722 1.00 20.00 N ATOM 219 CA PRO A 17 21.925 21.877 13.637 1.00 20.00 C ATOM 220 C PRO A 17 21.940 20.448 14.194 1.00 20.00 C ATOM 221 O PRO A 17 22.320 20.229 15.344 1.00 20.00 O ATOM 222 CB PRO A 17 23.191 22.175 12.828 1.00 20.00 C ATOM 223 CG PRO A 17 24.159 22.698 13.887 1.00 20.00 C ATOM 224 CD PRO A 17 23.241 23.478 14.826 1.00 20.00 C ATOM 0 HA PRO A 17 21.030 21.950 13.019 1.00 20.00 H new ATOM 0 HB2 PRO A 17 23.575 21.282 12.336 1.00 20.00 H new ATOM 0 HB3 PRO A 17 23.007 22.914 12.048 1.00 20.00 H new ATOM 0 HG2 PRO A 17 24.671 21.886 14.404 1.00 20.00 H new ATOM 0 HG3 PRO A 17 24.929 23.335 13.452 1.00 20.00 H new ATOM 0 HD2 PRO A 17 23.610 23.440 15.851 1.00 20.00 H new ATOM 0 HD3 PRO A 17 23.196 24.529 14.542 1.00 20.00 H new ATOM 232 N GLN A 18 21.560 19.479 13.350 1.00 20.00 N ATOM 233 CA GLN A 18 21.424 18.063 13.700 1.00 20.00 C ATOM 234 C GLN A 18 22.730 17.443 14.226 1.00 20.00 C ATOM 235 O GLN A 18 22.674 16.523 15.041 1.00 20.00 O ATOM 236 CB GLN A 18 20.927 17.280 12.476 1.00 20.00 C ATOM 237 CG GLN A 18 19.473 17.621 12.118 1.00 20.00 C ATOM 238 CD GLN A 18 19.060 16.966 10.803 1.00 20.00 C ATOM 239 OE1 GLN A 18 18.581 15.835 10.787 1.00 20.00 O ATOM 240 NE2 GLN A 18 19.255 17.666 9.686 1.00 20.00 N ATOM 0 H GLN A 18 21.332 19.668 12.374 1.00 20.00 H new ATOM 0 HA GLN A 18 20.700 18.000 14.513 1.00 20.00 H new ATOM 0 HB2 GLN A 18 21.570 17.497 11.623 1.00 20.00 H new ATOM 0 HB3 GLN A 18 21.009 16.211 12.673 1.00 20.00 H new ATOM 0 HG2 GLN A 18 18.811 17.287 12.917 1.00 20.00 H new ATOM 0 HG3 GLN A 18 19.359 18.702 12.040 1.00 20.00 H new ATOM 0 HE21 GLN A 18 19.655 18.603 9.735 1.00 20.00 H new ATOM 0 HE22 GLN A 18 19.004 17.265 8.782 1.00 20.00 H new ATOM 249 N GLU A 19 23.889 17.963 13.793 1.00 20.00 N ATOM 250 CA GLU A 19 25.213 17.552 14.252 1.00 20.00 C ATOM 251 C GLU A 19 25.435 17.895 15.732 1.00 20.00 C ATOM 252 O GLU A 19 25.948 17.062 16.477 1.00 20.00 O ATOM 253 CB GLU A 19 26.291 18.241 13.400 1.00 20.00 C ATOM 254 CG GLU A 19 26.306 17.767 11.942 1.00 20.00 C ATOM 255 CD GLU A 19 27.455 18.413 11.167 1.00 20.00 C ATOM 256 OE1 GLU A 19 28.563 17.830 11.184 1.00 20.00 O ATOM 257 OE2 GLU A 19 27.222 19.485 10.567 1.00 20.00 O ATOM 0 H GLU A 19 23.925 18.703 13.092 1.00 20.00 H new ATOM 0 HA GLU A 19 25.282 16.470 14.144 1.00 20.00 H new ATOM 0 HB2 GLU A 19 26.129 19.319 13.423 1.00 20.00 H new ATOM 0 HB3 GLU A 19 27.269 18.057 13.845 1.00 20.00 H new ATOM 0 HG2 GLU A 19 26.406 16.682 11.910 1.00 20.00 H new ATOM 0 HG3 GLU A 19 25.357 18.014 11.466 1.00 20.00 H new ATOM 264 N ALA A 20 25.060 19.113 16.153 1.00 20.00 N ATOM 265 CA ALA A 20 25.274 19.629 17.504 1.00 20.00 C ATOM 266 C ALA A 20 24.213 19.170 18.521 1.00 20.00 C ATOM 267 O ALA A 20 24.397 19.414 19.715 1.00 20.00 O ATOM 268 CB ALA A 20 25.333 21.160 17.435 1.00 20.00 C ATOM 0 H ALA A 20 24.587 19.780 15.543 1.00 20.00 H new ATOM 0 HA ALA A 20 26.216 19.219 17.869 1.00 20.00 H new ATOM 0 HB1 ALA A 20 25.492 21.563 18.435 1.00 20.00 H new ATOM 0 HB2 ALA A 20 26.154 21.464 16.786 1.00 20.00 H new ATOM 0 HB3 ALA A 20 24.394 21.543 17.035 1.00 20.00 H new ATOM 274 N ARG A 21 23.127 18.504 18.086 1.00 20.00 N ATOM 275 CA ARG A 21 22.083 17.996 18.981 1.00 20.00 C ATOM 276 C ARG A 21 22.656 16.950 19.935 1.00 20.00 C ATOM 277 O ARG A 21 23.476 16.123 19.531 1.00 20.00 O ATOM 278 CB ARG A 21 20.917 17.376 18.195 1.00 20.00 C ATOM 279 CG ARG A 21 20.159 18.411 17.356 1.00 20.00 C ATOM 280 CD ARG A 21 18.832 17.892 16.792 1.00 20.00 C ATOM 281 NE ARG A 21 18.965 16.645 16.020 1.00 20.00 N ATOM 282 CZ ARG A 21 17.945 15.974 15.464 1.00 20.00 C ATOM 283 NH1 ARG A 21 16.686 16.404 15.559 1.00 20.00 N ATOM 284 NH2 ARG A 21 18.180 14.846 14.797 1.00 20.00 N ATOM 0 H ARG A 21 22.953 18.305 17.101 1.00 20.00 H new ATOM 0 HA ARG A 21 21.707 18.846 19.551 1.00 20.00 H new ATOM 0 HB2 ARG A 21 21.300 16.593 17.541 1.00 20.00 H new ATOM 0 HB3 ARG A 21 20.226 16.901 18.891 1.00 20.00 H new ATOM 0 HG2 ARG A 21 19.964 19.291 17.969 1.00 20.00 H new ATOM 0 HG3 ARG A 21 20.794 18.732 16.530 1.00 20.00 H new ATOM 0 HD2 ARG A 21 18.137 17.727 17.615 1.00 20.00 H new ATOM 0 HD3 ARG A 21 18.394 18.659 16.154 1.00 20.00 H new ATOM 0 HE ARG A 21 19.903 16.263 15.899 1.00 20.00 H new ATOM 0 HH11 ARG A 21 16.478 17.265 16.065 1.00 20.00 H new ATOM 0 HH12 ARG A 21 15.931 15.872 15.126 1.00 20.00 H new ATOM 0 HH21 ARG A 21 19.133 14.494 14.710 1.00 20.00 H new ATOM 0 HH22 ARG A 21 17.407 14.334 14.373 1.00 20.00 H new ATOM 298 N LEU A 22 22.191 16.964 21.191 1.00 20.00 N ATOM 299 CA LEU A 22 22.536 15.944 22.175 1.00 20.00 C ATOM 300 C LEU A 22 21.808 14.628 21.876 1.00 20.00 C ATOM 301 O LEU A 22 20.908 14.570 21.033 1.00 20.00 O ATOM 302 CB LEU A 22 22.213 16.487 23.579 1.00 20.00 C ATOM 303 CG LEU A 22 23.314 17.448 24.070 1.00 20.00 C ATOM 304 CD1 LEU A 22 22.785 18.376 25.160 1.00 20.00 C ATOM 305 CD2 LEU A 22 24.523 16.675 24.616 1.00 20.00 C ATOM 0 H LEU A 22 21.565 17.686 21.548 1.00 20.00 H new ATOM 0 HA LEU A 22 23.602 15.720 22.126 1.00 20.00 H new ATOM 0 HB2 LEU A 22 21.255 17.006 23.560 1.00 20.00 H new ATOM 0 HB3 LEU A 22 22.112 15.657 24.279 1.00 20.00 H new ATOM 0 HG LEU A 22 23.627 18.041 23.211 1.00 20.00 H new ATOM 0 HD11 LEU A 22 23.582 19.043 25.488 1.00 20.00 H new ATOM 0 HD12 LEU A 22 21.957 18.966 24.766 1.00 20.00 H new ATOM 0 HD13 LEU A 22 22.437 17.783 26.006 1.00 20.00 H new ATOM 0 HD21 LEU A 22 25.283 17.380 24.955 1.00 20.00 H new ATOM 0 HD22 LEU A 22 24.208 16.051 25.452 1.00 20.00 H new ATOM 0 HD23 LEU A 22 24.938 16.045 23.829 1.00 20.00 H new ATOM 317 N SER A 23 22.205 13.569 22.592 1.00 20.00 N ATOM 318 CA SER A 23 21.579 12.245 22.529 1.00 20.00 C ATOM 319 C SER A 23 20.142 12.248 23.087 1.00 20.00 C ATOM 320 O SER A 23 19.400 11.285 22.901 1.00 20.00 O ATOM 321 CB SER A 23 22.469 11.256 23.295 1.00 20.00 C ATOM 322 OG SER A 23 22.044 9.924 23.104 1.00 20.00 O ATOM 0 H SER A 23 22.987 13.611 23.245 1.00 20.00 H new ATOM 0 HA SER A 23 21.493 11.944 21.485 1.00 20.00 H new ATOM 0 HB2 SER A 23 23.502 11.361 22.962 1.00 20.00 H new ATOM 0 HB3 SER A 23 22.451 11.496 24.358 1.00 20.00 H new ATOM 0 HG SER A 23 21.074 9.907 22.962 1.00 20.00 H new ATOM 328 N TYR A 24 19.748 13.344 23.748 1.00 20.00 N ATOM 329 CA TYR A 24 18.483 13.560 24.433 1.00 20.00 C ATOM 330 C TYR A 24 18.042 15.024 24.288 1.00 20.00 C ATOM 331 O TYR A 24 18.832 15.892 23.912 1.00 20.00 O ATOM 332 CB TYR A 24 18.654 13.157 25.910 1.00 20.00 C ATOM 333 CG TYR A 24 20.001 13.518 26.531 1.00 20.00 C ATOM 334 CD1 TYR A 24 20.908 12.489 26.861 1.00 20.00 C ATOM 335 CD2 TYR A 24 20.374 14.861 26.727 1.00 20.00 C ATOM 336 CE1 TYR A 24 22.167 12.792 27.402 1.00 20.00 C ATOM 337 CE2 TYR A 24 21.630 15.173 27.283 1.00 20.00 C ATOM 338 CZ TYR A 24 22.531 14.141 27.623 1.00 20.00 C ATOM 339 OH TYR A 24 23.745 14.439 28.167 1.00 20.00 O ATOM 0 H TYR A 24 20.357 14.160 23.819 1.00 20.00 H new ATOM 0 HA TYR A 24 17.699 12.946 23.988 1.00 20.00 H new ATOM 0 HB2 TYR A 24 17.865 13.631 26.493 1.00 20.00 H new ATOM 0 HB3 TYR A 24 18.510 12.080 25.995 1.00 20.00 H new ATOM 0 HD1 TYR A 24 20.631 11.458 26.696 1.00 20.00 H new ATOM 0 HD2 TYR A 24 19.695 15.654 26.450 1.00 20.00 H new ATOM 0 HE1 TYR A 24 22.856 11.998 27.649 1.00 20.00 H new ATOM 0 HE2 TYR A 24 21.904 16.204 27.450 1.00 20.00 H new ATOM 0 HH TYR A 24 23.980 15.366 27.954 1.00 20.00 H new ATOM 349 N GLY A 25 16.770 15.284 24.609 1.00 20.00 N ATOM 350 CA GLY A 25 16.130 16.592 24.539 1.00 20.00 C ATOM 351 C GLY A 25 15.670 17.083 25.912 1.00 20.00 C ATOM 352 O GLY A 25 16.013 16.511 26.948 1.00 20.00 O ATOM 0 H GLY A 25 16.136 14.555 24.938 1.00 20.00 H new ATOM 0 HA2 GLY A 25 16.827 17.313 24.112 1.00 20.00 H new ATOM 0 HA3 GLY A 25 15.273 16.540 23.868 1.00 20.00 H new ATOM 356 N GLY A 26 14.888 18.167 25.900 1.00 20.00 N ATOM 357 CA GLY A 26 14.279 18.770 27.081 1.00 20.00 C ATOM 358 C GLY A 26 13.971 20.263 26.916 1.00 20.00 C ATOM 359 O GLY A 26 13.344 20.836 27.803 1.00 20.00 O ATOM 0 H GLY A 26 14.656 18.662 25.039 1.00 20.00 H new ATOM 0 HA2 GLY A 26 13.355 18.240 27.314 1.00 20.00 H new ATOM 0 HA3 GLY A 26 14.947 18.637 27.932 1.00 20.00 H new ATOM 363 N CYS A 27 14.406 20.891 25.813 1.00 20.00 N ATOM 364 CA CYS A 27 14.179 22.298 25.494 1.00 20.00 C ATOM 365 C CYS A 27 12.732 22.593 25.073 1.00 20.00 C ATOM 366 O CYS A 27 11.873 21.710 25.039 1.00 20.00 O ATOM 367 CB CYS A 27 15.176 22.719 24.407 1.00 20.00 C ATOM 368 SG CYS A 27 16.792 23.248 25.026 1.00 20.00 S ATOM 0 H CYS A 27 14.946 20.409 25.095 1.00 20.00 H new ATOM 0 HA CYS A 27 14.341 22.885 26.398 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.320 21.883 23.722 1.00 20.00 H new ATOM 0 HB3 CYS A 27 14.739 23.533 23.829 1.00 20.00 H new ATOM 373 N SER A 28 12.479 23.868 24.752 1.00 20.00 N ATOM 374 CA SER A 28 11.212 24.377 24.247 1.00 20.00 C ATOM 375 C SER A 28 10.889 23.800 22.861 1.00 20.00 C ATOM 376 O SER A 28 9.713 23.611 22.550 1.00 20.00 O ATOM 377 CB SER A 28 11.294 25.907 24.204 1.00 20.00 C ATOM 378 OG SER A 28 10.045 26.473 23.871 1.00 20.00 O ATOM 0 H SER A 28 13.186 24.598 24.843 1.00 20.00 H new ATOM 0 HA SER A 28 10.403 24.068 24.909 1.00 20.00 H new ATOM 0 HB2 SER A 28 11.621 26.284 25.173 1.00 20.00 H new ATOM 0 HB3 SER A 28 12.042 26.214 23.473 1.00 20.00 H new ATOM 0 HG SER A 28 10.123 27.450 23.852 1.00 20.00 H new ATOM 384 N THR A 29 11.919 23.483 22.056 1.00 20.00 N ATOM 385 CA THR A 29 11.786 22.726 20.813 1.00 20.00 C ATOM 386 C THR A 29 13.082 22.000 20.409 1.00 20.00 C ATOM 387 O THR A 29 12.994 20.869 19.931 1.00 20.00 O ATOM 388 CB THR A 29 11.236 23.625 19.683 1.00 20.00 C ATOM 389 OG1 THR A 29 11.122 22.880 18.488 1.00 20.00 O ATOM 390 CG2 THR A 29 12.063 24.886 19.404 1.00 20.00 C ATOM 0 H THR A 29 12.881 23.754 22.261 1.00 20.00 H new ATOM 0 HA THR A 29 11.059 21.934 20.993 1.00 20.00 H new ATOM 0 HB THR A 29 10.264 23.967 20.037 1.00 20.00 H new ATOM 0 HG1 THR A 29 10.771 23.455 17.776 1.00 20.00 H new ATOM 0 HG21 THR A 29 11.600 25.453 18.596 1.00 20.00 H new ATOM 0 HG22 THR A 29 12.103 25.501 20.303 1.00 20.00 H new ATOM 0 HG23 THR A 29 13.074 24.601 19.114 1.00 20.00 H new ATOM 398 N VAL A 30 14.266 22.607 20.606 1.00 20.00 N ATOM 399 CA VAL A 30 15.558 22.049 20.180 1.00 20.00 C ATOM 400 C VAL A 30 16.643 22.303 21.235 1.00 20.00 C ATOM 401 O VAL A 30 16.713 23.396 21.797 1.00 20.00 O ATOM 402 CB VAL A 30 15.996 22.590 18.793 1.00 20.00 C ATOM 403 CG1 VAL A 30 14.972 22.280 17.689 1.00 20.00 C ATOM 404 CG2 VAL A 30 16.307 24.097 18.765 1.00 20.00 C ATOM 0 H VAL A 30 14.351 23.510 21.072 1.00 20.00 H new ATOM 0 HA VAL A 30 15.425 20.972 20.079 1.00 20.00 H new ATOM 0 HB VAL A 30 16.926 22.056 18.597 1.00 20.00 H new ATOM 0 HG11 VAL A 30 15.328 22.681 16.740 1.00 20.00 H new ATOM 0 HG12 VAL A 30 14.845 21.201 17.603 1.00 20.00 H new ATOM 0 HG13 VAL A 30 14.016 22.739 17.941 1.00 20.00 H new ATOM 0 HG21 VAL A 30 16.605 24.388 17.758 1.00 20.00 H new ATOM 0 HG22 VAL A 30 15.419 24.657 19.057 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.118 24.314 19.460 1.00 20.00 H new ATOM 414 N CYS A 31 17.507 21.302 21.466 1.00 20.00 N ATOM 415 CA CYS A 31 18.610 21.346 22.425 1.00 20.00 C ATOM 416 C CYS A 31 19.917 20.904 21.768 1.00 20.00 C ATOM 417 O CYS A 31 19.978 19.848 21.135 1.00 20.00 O ATOM 418 CB CYS A 31 18.314 20.457 23.639 1.00 20.00 C ATOM 419 SG CYS A 31 19.454 20.775 25.016 1.00 20.00 S ATOM 0 H CYS A 31 17.451 20.412 20.971 1.00 20.00 H new ATOM 0 HA CYS A 31 18.716 22.377 22.762 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.290 20.627 23.971 1.00 20.00 H new ATOM 0 HB3 CYS A 31 18.384 19.409 23.346 1.00 20.00 H new ATOM 424 N CYS A 32 20.965 21.710 21.971 1.00 20.00 N ATOM 425 CA CYS A 32 22.323 21.478 21.512 1.00 20.00 C ATOM 426 C CYS A 32 23.307 21.738 22.662 1.00 20.00 C ATOM 427 O CYS A 32 23.059 22.584 23.523 1.00 20.00 O ATOM 428 CB CYS A 32 22.586 22.389 20.305 1.00 20.00 C ATOM 429 SG CYS A 32 21.980 21.742 18.723 1.00 20.00 S ATOM 0 H CYS A 32 20.875 22.585 22.488 1.00 20.00 H new ATOM 0 HA CYS A 32 22.461 20.443 21.199 1.00 20.00 H new ATOM 0 HB2 CYS A 32 22.120 23.357 20.489 1.00 20.00 H new ATOM 0 HB3 CYS A 32 23.659 22.562 20.224 1.00 20.00 H new ATOM 434 N ASP A 33 24.425 20.994 22.672 1.00 20.00 N ATOM 435 CA ASP A 33 25.433 21.043 23.733 1.00 20.00 C ATOM 436 C ASP A 33 26.213 22.365 23.705 1.00 20.00 C ATOM 437 O ASP A 33 26.443 22.924 22.632 1.00 20.00 O ATOM 438 CB ASP A 33 26.373 19.835 23.605 1.00 20.00 C ATOM 439 CG ASP A 33 27.440 19.974 22.522 1.00 20.00 C ATOM 440 OD1 ASP A 33 28.576 20.345 22.890 1.00 20.00 O ATOM 441 OD2 ASP A 33 27.121 19.666 21.354 1.00 20.00 O ATOM 0 H ASP A 33 24.653 20.333 21.930 1.00 20.00 H new ATOM 0 HA ASP A 33 24.929 20.995 24.698 1.00 20.00 H new ATOM 0 HB2 ASP A 33 26.866 19.671 24.563 1.00 20.00 H new ATOM 0 HB3 ASP A 33 25.776 18.947 23.397 1.00 20.00 H new ATOM 446 N LEU A 34 26.658 22.833 24.881 1.00 20.00 N ATOM 447 CA LEU A 34 27.546 23.991 25.015 1.00 20.00 C ATOM 448 C LEU A 34 29.004 23.580 25.282 1.00 20.00 C ATOM 449 O LEU A 34 29.881 24.443 25.297 1.00 20.00 O ATOM 450 CB LEU A 34 27.063 24.928 26.135 1.00 20.00 C ATOM 451 CG LEU A 34 25.592 25.395 26.085 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.444 26.614 27.004 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.088 25.785 24.693 1.00 20.00 C ATOM 0 H LEU A 34 26.407 22.411 25.775 1.00 20.00 H new ATOM 0 HA LEU A 34 27.513 24.518 24.062 1.00 20.00 H new ATOM 0 HB2 LEU A 34 27.225 24.425 27.088 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.698 25.814 26.130 1.00 20.00 H new ATOM 0 HG LEU A 34 24.991 24.543 26.402 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.411 26.961 26.984 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.714 26.336 28.023 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.102 27.412 26.659 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.046 26.099 24.758 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.691 26.606 24.305 1.00 20.00 H new ATOM 0 HD23 LEU A 34 25.168 24.928 24.024 1.00 20.00 H new ATOM 465 N SER A 35 29.273 22.281 25.486 1.00 20.00 N ATOM 466 CA SER A 35 30.602 21.753 25.780 1.00 20.00 C ATOM 467 C SER A 35 31.573 21.959 24.609 1.00 20.00 C ATOM 468 O SER A 35 32.768 22.140 24.837 1.00 20.00 O ATOM 469 CB SER A 35 30.473 20.270 26.137 1.00 20.00 C ATOM 470 OG SER A 35 31.680 19.779 26.682 1.00 20.00 O ATOM 0 H SER A 35 28.554 21.559 25.449 1.00 20.00 H new ATOM 0 HA SER A 35 31.021 22.300 26.625 1.00 20.00 H new ATOM 0 HB2 SER A 35 29.663 20.133 26.853 1.00 20.00 H new ATOM 0 HB3 SER A 35 30.212 19.698 25.247 1.00 20.00 H new ATOM 0 HG SER A 35 31.576 18.830 26.905 1.00 20.00 H new ATOM 476 N LYS A 36 31.062 21.976 23.369 1.00 20.00 N ATOM 477 CA LYS A 36 31.817 22.263 22.152 1.00 20.00 C ATOM 478 C LYS A 36 32.408 23.680 22.134 1.00 20.00 C ATOM 479 O LYS A 36 33.495 23.865 21.589 1.00 20.00 O ATOM 480 CB LYS A 36 30.922 22.007 20.925 1.00 20.00 C ATOM 481 CG LYS A 36 29.695 22.937 20.813 1.00 20.00 C ATOM 482 CD LYS A 36 28.693 22.473 19.742 1.00 20.00 C ATOM 483 CE LYS A 36 29.278 22.381 18.327 1.00 20.00 C ATOM 484 NZ LYS A 36 29.711 23.693 17.817 1.00 20.00 N ATOM 0 H LYS A 36 30.077 21.783 23.186 1.00 20.00 H new ATOM 0 HA LYS A 36 32.674 21.590 22.122 1.00 20.00 H new ATOM 0 HB2 LYS A 36 31.526 22.115 20.024 1.00 20.00 H new ATOM 0 HB3 LYS A 36 30.576 20.974 20.955 1.00 20.00 H new ATOM 0 HG2 LYS A 36 29.192 22.985 21.779 1.00 20.00 H new ATOM 0 HG3 LYS A 36 30.030 23.947 20.577 1.00 20.00 H new ATOM 0 HD2 LYS A 36 28.303 21.495 20.025 1.00 20.00 H new ATOM 0 HD3 LYS A 36 27.848 23.162 19.729 1.00 20.00 H new ATOM 0 HE2 LYS A 36 30.126 21.697 18.330 1.00 20.00 H new ATOM 0 HE3 LYS A 36 28.531 21.960 17.654 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 30.099 23.582 16.859 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 28.897 24.340 17.788 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 30.443 24.085 18.444 1.00 20.00 H new ATOM 498 N LEU A 37 31.724 24.660 22.747 1.00 20.00 N ATOM 499 CA LEU A 37 32.158 26.054 22.816 1.00 20.00 C ATOM 500 C LEU A 37 33.360 26.209 23.751 1.00 20.00 C ATOM 501 O LEU A 37 34.320 26.896 23.404 1.00 20.00 O ATOM 502 CB LEU A 37 31.006 26.957 23.301 1.00 20.00 C ATOM 503 CG LEU A 37 29.712 26.895 22.461 1.00 20.00 C ATOM 504 CD1 LEU A 37 28.631 27.759 23.125 1.00 20.00 C ATOM 505 CD2 LEU A 37 29.931 27.377 21.019 1.00 20.00 C ATOM 0 H LEU A 37 30.834 24.495 23.217 1.00 20.00 H new ATOM 0 HA LEU A 37 32.454 26.359 21.812 1.00 20.00 H new ATOM 0 HB2 LEU A 37 30.764 26.687 24.329 1.00 20.00 H new ATOM 0 HB3 LEU A 37 31.359 27.988 23.317 1.00 20.00 H new ATOM 0 HG LEU A 37 29.398 25.852 22.418 1.00 20.00 H new ATOM 0 HD11 LEU A 37 27.717 27.716 22.533 1.00 20.00 H new ATOM 0 HD12 LEU A 37 28.431 27.384 24.129 1.00 20.00 H new ATOM 0 HD13 LEU A 37 28.976 28.791 23.185 1.00 20.00 H new ATOM 0 HD21 LEU A 37 28.993 27.315 20.468 1.00 20.00 H new ATOM 0 HD22 LEU A 37 30.278 28.410 21.029 1.00 20.00 H new ATOM 0 HD23 LEU A 37 30.678 26.748 20.535 1.00 20.00 H new ATOM 517 N THR A 38 33.311 25.563 24.925 1.00 20.00 N ATOM 518 CA THR A 38 34.368 25.576 25.934 1.00 20.00 C ATOM 519 C THR A 38 35.544 24.648 25.585 1.00 20.00 C ATOM 520 O THR A 38 36.643 24.878 26.086 1.00 20.00 O ATOM 521 CB THR A 38 33.770 25.227 27.311 1.00 20.00 C ATOM 522 OG1 THR A 38 32.958 24.072 27.261 1.00 20.00 O ATOM 523 CG2 THR A 38 32.915 26.377 27.852 1.00 20.00 C ATOM 0 H THR A 38 32.507 25.000 25.203 1.00 20.00 H new ATOM 0 HA THR A 38 34.784 26.583 25.963 1.00 20.00 H new ATOM 0 HB THR A 38 34.620 25.045 27.968 1.00 20.00 H new ATOM 0 HG1 THR A 38 33.185 23.546 26.466 1.00 20.00 H new ATOM 0 HG21 THR A 38 32.507 26.101 28.824 1.00 20.00 H new ATOM 0 HG22 THR A 38 33.531 27.270 27.957 1.00 20.00 H new ATOM 0 HG23 THR A 38 32.098 26.580 27.160 1.00 20.00 H new ATOM 531 N GLY A 39 35.336 23.659 24.700 1.00 20.00 N ATOM 532 CA GLY A 39 36.352 22.769 24.139 1.00 20.00 C ATOM 533 C GLY A 39 37.121 21.976 25.197 1.00 20.00 C ATOM 534 O GLY A 39 38.307 22.313 25.408 1.00 20.00 O ATOM 0 H GLY A 39 34.404 23.452 24.341 1.00 20.00 H new ATOM 0 HA2 GLY A 39 35.873 22.072 23.451 1.00 20.00 H new ATOM 0 HA3 GLY A 39 37.058 23.359 23.555 1.00 20.00 H new TER 538 GLY A 39