USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=9 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 Set 1.1: A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00825) USER MOD Set 1.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 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 -36:sc= 0.102 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00973 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 -56:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.705 22.415 33.975 1.00 20.00 N ATOM 2 CA ASN A 1 15.565 22.433 32.781 1.00 20.00 C ATOM 3 C ASN A 1 16.553 21.270 32.813 1.00 20.00 C ATOM 4 O ASN A 1 17.510 21.289 33.587 1.00 20.00 O ATOM 5 CB ASN A 1 16.307 23.768 32.650 1.00 20.00 C ATOM 6 CG ASN A 1 15.392 24.957 32.363 1.00 20.00 C ATOM 7 OD1 ASN A 1 14.265 24.798 31.897 1.00 20.00 O ATOM 8 ND2 ASN A 1 15.886 26.166 32.623 1.00 20.00 N ATOM 0 H1 ASN A 1 14.040 23.213 33.936 1.00 20.00 H new ATOM 0 H2 ASN A 1 14.173 21.522 34.006 1.00 20.00 H new ATOM 0 H3 ASN A 1 15.294 22.497 34.828 1.00 20.00 H new ATOM 0 HA ASN A 1 14.924 22.320 31.906 1.00 20.00 H new ATOM 0 HB2 ASN A 1 16.857 23.959 33.571 1.00 20.00 H new ATOM 0 HB3 ASN A 1 17.043 23.687 31.850 1.00 20.00 H new ATOM 0 HD21 ASN A 1 15.325 26.997 32.436 1.00 20.00 H new ATOM 0 HD22 ASN A 1 16.825 26.261 33.010 1.00 20.00 H new ATOM 17 N GLU A 2 16.315 20.256 31.972 1.00 20.00 N ATOM 18 CA GLU A 2 17.154 19.063 31.889 1.00 20.00 C ATOM 19 C GLU A 2 18.557 19.395 31.369 1.00 20.00 C ATOM 20 O GLU A 2 19.537 19.033 32.015 1.00 20.00 O ATOM 21 CB GLU A 2 16.483 18.009 30.997 1.00 20.00 C ATOM 22 CG GLU A 2 17.186 16.650 31.113 1.00 20.00 C ATOM 23 CD GLU A 2 16.531 15.601 30.219 1.00 20.00 C ATOM 24 OE1 GLU A 2 16.865 15.583 29.014 1.00 20.00 O ATOM 25 OE2 GLU A 2 15.717 14.817 30.756 1.00 20.00 O ATOM 0 H GLU A 2 15.526 20.244 31.326 1.00 20.00 H new ATOM 0 HA GLU A 2 17.266 18.659 32.895 1.00 20.00 H new ATOM 0 HB2 GLU A 2 15.436 17.904 31.280 1.00 20.00 H new ATOM 0 HB3 GLU A 2 16.501 18.343 29.960 1.00 20.00 H new ATOM 0 HG2 GLU A 2 18.236 16.758 30.839 1.00 20.00 H new ATOM 0 HG3 GLU A 2 17.160 16.313 32.149 1.00 20.00 H new ATOM 32 N CYS A 3 18.655 20.070 30.215 1.00 20.00 N ATOM 33 CA CYS A 3 19.934 20.369 29.577 1.00 20.00 C ATOM 34 C CYS A 3 20.805 21.288 30.431 1.00 20.00 C ATOM 35 O CYS A 3 22.009 21.064 30.504 1.00 20.00 O ATOM 36 CB CYS A 3 19.722 20.957 28.177 1.00 20.00 C ATOM 37 SG CYS A 3 19.356 19.670 26.951 1.00 20.00 S ATOM 0 H CYS A 3 17.847 20.422 29.702 1.00 20.00 H new ATOM 0 HA CYS A 3 20.471 19.426 29.477 1.00 20.00 H new ATOM 0 HB2 CYS A 3 18.903 21.675 28.205 1.00 20.00 H new ATOM 0 HB3 CYS A 3 20.615 21.504 27.874 1.00 20.00 H new ATOM 42 N VAL A 4 20.210 22.275 31.112 1.00 20.00 N ATOM 43 CA VAL A 4 20.926 23.204 31.985 1.00 20.00 C ATOM 44 C VAL A 4 21.489 22.472 33.214 1.00 20.00 C ATOM 45 O VAL A 4 22.625 22.738 33.606 1.00 20.00 O ATOM 46 CB VAL A 4 20.007 24.374 32.391 1.00 20.00 C ATOM 47 CG1 VAL A 4 20.784 25.396 33.230 1.00 20.00 C ATOM 48 CG2 VAL A 4 19.415 25.092 31.165 1.00 20.00 C ATOM 0 H VAL A 4 19.206 22.450 31.070 1.00 20.00 H new ATOM 0 HA VAL A 4 21.772 23.619 31.437 1.00 20.00 H new ATOM 0 HB VAL A 4 19.190 23.948 32.974 1.00 20.00 H new ATOM 0 HG11 VAL A 4 20.122 26.216 33.509 1.00 20.00 H new ATOM 0 HG12 VAL A 4 21.164 24.914 34.131 1.00 20.00 H new ATOM 0 HG13 VAL A 4 21.619 25.786 32.647 1.00 20.00 H new ATOM 0 HG21 VAL A 4 18.774 25.909 31.496 1.00 20.00 H new ATOM 0 HG22 VAL A 4 20.223 25.490 30.551 1.00 20.00 H new ATOM 0 HG23 VAL A 4 18.828 24.386 30.578 1.00 20.00 H new ATOM 58 N SER A 5 20.730 21.526 33.793 1.00 20.00 N ATOM 59 CA SER A 5 21.176 20.665 34.887 1.00 20.00 C ATOM 60 C SER A 5 22.354 19.773 34.463 1.00 20.00 C ATOM 61 O SER A 5 23.259 19.536 35.263 1.00 20.00 O ATOM 62 CB SER A 5 19.990 19.818 35.366 1.00 20.00 C ATOM 63 OG SER A 5 20.339 19.052 36.498 1.00 20.00 O ATOM 0 H SER A 5 19.770 21.340 33.503 1.00 20.00 H new ATOM 0 HA SER A 5 21.534 21.290 35.705 1.00 20.00 H new ATOM 0 HB2 SER A 5 19.149 20.468 35.608 1.00 20.00 H new ATOM 0 HB3 SER A 5 19.662 19.158 34.563 1.00 20.00 H new ATOM 0 HG SER A 5 19.566 18.522 36.785 1.00 20.00 H new ATOM 69 N LYS A 6 22.364 19.314 33.202 1.00 20.00 N ATOM 70 CA LYS A 6 23.421 18.512 32.592 1.00 20.00 C ATOM 71 C LYS A 6 24.619 19.351 32.105 1.00 20.00 C ATOM 72 O LYS A 6 25.613 18.764 31.678 1.00 20.00 O ATOM 73 CB LYS A 6 22.819 17.698 31.430 1.00 20.00 C ATOM 74 CG LYS A 6 21.813 16.620 31.873 1.00 20.00 C ATOM 75 CD LYS A 6 22.444 15.394 32.555 1.00 20.00 C ATOM 76 CE LYS A 6 23.328 14.561 31.622 1.00 20.00 C ATOM 77 NZ LYS A 6 22.548 13.867 30.590 1.00 20.00 N ATOM 0 H LYS A 6 21.598 19.504 32.556 1.00 20.00 H new ATOM 0 HA LYS A 6 23.818 17.847 33.359 1.00 20.00 H new ATOM 0 HB2 LYS A 6 22.323 18.381 30.741 1.00 20.00 H new ATOM 0 HB3 LYS A 6 23.628 17.220 30.878 1.00 20.00 H new ATOM 0 HG2 LYS A 6 21.096 17.071 32.559 1.00 20.00 H new ATOM 0 HG3 LYS A 6 21.252 16.285 31.000 1.00 20.00 H new ATOM 0 HD2 LYS A 6 23.040 15.728 33.404 1.00 20.00 H new ATOM 0 HD3 LYS A 6 21.650 14.761 32.952 1.00 20.00 H new ATOM 0 HE2 LYS A 6 24.062 15.210 31.145 1.00 20.00 H new ATOM 0 HE3 LYS A 6 23.883 13.829 32.208 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 23.182 13.276 30.014 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 21.831 13.266 31.043 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 22.078 14.567 29.981 1.00 20.00 H new ATOM 91 N GLY A 7 24.560 20.691 32.177 1.00 20.00 N ATOM 92 CA GLY A 7 25.630 21.597 31.760 1.00 20.00 C ATOM 93 C GLY A 7 25.619 21.950 30.265 1.00 20.00 C ATOM 94 O GLY A 7 26.415 22.787 29.843 1.00 20.00 O ATOM 0 H GLY A 7 23.742 21.182 32.538 1.00 20.00 H new ATOM 0 HA2 GLY A 7 25.555 22.518 32.338 1.00 20.00 H new ATOM 0 HA3 GLY A 7 26.590 21.143 32.006 1.00 20.00 H new ATOM 98 N PHE A 8 24.719 21.344 29.477 1.00 20.00 N ATOM 99 CA PHE A 8 24.437 21.697 28.089 1.00 20.00 C ATOM 100 C PHE A 8 23.603 22.982 27.994 1.00 20.00 C ATOM 101 O PHE A 8 23.174 23.542 29.006 1.00 20.00 O ATOM 102 CB PHE A 8 23.715 20.520 27.413 1.00 20.00 C ATOM 103 CG PHE A 8 24.478 19.210 27.461 1.00 20.00 C ATOM 104 CD1 PHE A 8 23.884 18.057 28.006 1.00 20.00 C ATOM 105 CD2 PHE A 8 25.790 19.150 26.956 1.00 20.00 C ATOM 106 CE1 PHE A 8 24.601 16.848 28.046 1.00 20.00 C ATOM 107 CE2 PHE A 8 26.503 17.938 26.989 1.00 20.00 C ATOM 108 CZ PHE A 8 25.907 16.788 27.533 1.00 20.00 C ATOM 0 H PHE A 8 24.149 20.565 29.807 1.00 20.00 H new ATOM 0 HA PHE A 8 25.377 21.892 27.574 1.00 20.00 H new ATOM 0 HB2 PHE A 8 22.746 20.380 27.891 1.00 20.00 H new ATOM 0 HB3 PHE A 8 23.522 20.777 26.371 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.877 18.100 28.394 1.00 20.00 H new ATOM 0 HD2 PHE A 8 26.250 20.035 26.543 1.00 20.00 H new ATOM 0 HE1 PHE A 8 24.147 15.965 28.471 1.00 20.00 H new ATOM 0 HE2 PHE A 8 27.508 17.891 26.596 1.00 20.00 H new ATOM 0 HZ PHE A 8 26.454 15.857 27.557 1.00 20.00 H new ATOM 118 N GLY A 9 23.385 23.445 26.757 1.00 20.00 N ATOM 119 CA GLY A 9 22.710 24.707 26.465 1.00 20.00 C ATOM 120 C GLY A 9 21.488 24.567 25.556 1.00 20.00 C ATOM 121 O GLY A 9 21.213 23.500 25.007 1.00 20.00 O ATOM 0 H GLY A 9 23.679 22.942 25.920 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.400 25.166 27.404 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.422 25.387 25.997 1.00 20.00 H new ATOM 125 N CYS A 10 20.776 25.691 25.398 1.00 20.00 N ATOM 126 CA CYS A 10 19.532 25.819 24.647 1.00 20.00 C ATOM 127 C CYS A 10 19.677 26.947 23.617 1.00 20.00 C ATOM 128 O CYS A 10 19.099 28.025 23.765 1.00 20.00 O ATOM 129 CB CYS A 10 18.366 26.051 25.622 1.00 20.00 C ATOM 130 SG CYS A 10 18.048 24.737 26.832 1.00 20.00 S ATOM 0 H CYS A 10 21.071 26.575 25.813 1.00 20.00 H new ATOM 0 HA CYS A 10 19.315 24.902 24.099 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.555 26.977 26.166 1.00 20.00 H new ATOM 0 HB3 CYS A 10 17.458 26.204 25.038 1.00 20.00 H new ATOM 135 N LEU A 11 20.466 26.687 22.565 1.00 20.00 N ATOM 136 CA LEU A 11 20.650 27.576 21.417 1.00 20.00 C ATOM 137 C LEU A 11 19.367 27.679 20.571 1.00 20.00 C ATOM 138 O LEU A 11 18.508 26.801 20.651 1.00 20.00 O ATOM 139 CB LEU A 11 21.808 27.031 20.556 1.00 20.00 C ATOM 140 CG LEU A 11 23.207 27.417 21.064 1.00 20.00 C ATOM 141 CD1 LEU A 11 24.292 26.575 20.382 1.00 20.00 C ATOM 142 CD2 LEU A 11 23.563 28.910 21.000 1.00 20.00 C ATOM 0 H LEU A 11 21.008 25.826 22.490 1.00 20.00 H new ATOM 0 HA LEU A 11 20.883 28.577 21.779 1.00 20.00 H new ATOM 0 HB2 LEU A 11 21.736 25.944 20.516 1.00 20.00 H new ATOM 0 HB3 LEU A 11 21.691 27.396 19.536 1.00 20.00 H new ATOM 0 HG LEU A 11 23.169 27.193 22.130 1.00 20.00 H new ATOM 0 HD11 LEU A 11 25.271 26.869 20.760 1.00 20.00 H new ATOM 0 HD12 LEU A 11 24.122 25.520 20.596 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.255 26.737 19.305 1.00 20.00 H new ATOM 0 HD21 LEU A 11 24.572 29.060 21.384 1.00 20.00 H new ATOM 0 HD22 LEU A 11 23.514 29.252 19.966 1.00 20.00 H new ATOM 0 HD23 LEU A 11 22.856 29.479 21.604 1.00 20.00 H new ATOM 154 N PRO A 12 19.246 28.713 19.715 1.00 20.00 N ATOM 155 CA PRO A 12 18.188 28.810 18.713 1.00 20.00 C ATOM 156 C PRO A 12 18.400 27.773 17.598 1.00 20.00 C ATOM 157 O PRO A 12 19.462 27.155 17.504 1.00 20.00 O ATOM 158 CB PRO A 12 18.271 30.249 18.188 1.00 20.00 C ATOM 159 CG PRO A 12 19.751 30.586 18.333 1.00 20.00 C ATOM 160 CD PRO A 12 20.160 29.841 19.604 1.00 20.00 C ATOM 0 HA PRO A 12 17.201 28.598 19.124 1.00 20.00 H new ATOM 0 HB2 PRO A 12 17.941 30.319 17.151 1.00 20.00 H new ATOM 0 HB3 PRO A 12 17.645 30.926 18.768 1.00 20.00 H new ATOM 0 HG2 PRO A 12 20.326 30.253 17.469 1.00 20.00 H new ATOM 0 HG3 PRO A 12 19.911 31.660 18.427 1.00 20.00 H new ATOM 0 HD2 PRO A 12 21.194 29.502 19.543 1.00 20.00 H new ATOM 0 HD3 PRO A 12 20.089 30.489 20.477 1.00 20.00 H new ATOM 168 N GLN A 13 17.397 27.606 16.726 1.00 20.00 N ATOM 169 CA GLN A 13 17.464 26.689 15.586 1.00 20.00 C ATOM 170 C GLN A 13 18.559 27.071 14.574 1.00 20.00 C ATOM 171 O GLN A 13 19.016 26.203 13.832 1.00 20.00 O ATOM 172 CB GLN A 13 16.099 26.618 14.884 1.00 20.00 C ATOM 173 CG GLN A 13 15.013 25.990 15.776 1.00 20.00 C ATOM 174 CD GLN A 13 13.707 25.785 15.010 1.00 20.00 C ATOM 175 OE1 GLN A 13 12.759 26.553 15.154 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.637 24.734 14.195 1.00 20.00 N ATOM 0 H GLN A 13 16.512 28.108 16.794 1.00 20.00 H new ATOM 0 HA GLN A 13 17.728 25.709 15.984 1.00 20.00 H new ATOM 0 HB2 GLN A 13 15.790 27.622 14.593 1.00 20.00 H new ATOM 0 HB3 GLN A 13 16.194 26.036 13.968 1.00 20.00 H new ATOM 0 HG2 GLN A 13 15.365 25.032 16.160 1.00 20.00 H new ATOM 0 HG3 GLN A 13 14.833 26.632 16.638 1.00 20.00 H new ATOM 0 HE21 GLN A 13 14.439 24.112 14.094 1.00 20.00 H new ATOM 0 HE22 GLN A 13 12.781 24.551 13.671 1.00 20.00 H new ATOM 185 N SER A 14 19.006 28.336 14.571 1.00 20.00 N ATOM 186 CA SER A 14 20.136 28.833 13.794 1.00 20.00 C ATOM 187 C SER A 14 21.452 28.194 14.257 1.00 20.00 C ATOM 188 O SER A 14 22.174 27.631 13.436 1.00 20.00 O ATOM 189 CB SER A 14 20.187 30.362 13.924 1.00 20.00 C ATOM 190 OG SER A 14 21.289 30.899 13.222 1.00 20.00 O ATOM 0 H SER A 14 18.568 29.065 15.135 1.00 20.00 H new ATOM 0 HA SER A 14 20.004 28.561 12.747 1.00 20.00 H new ATOM 0 HB2 SER A 14 19.263 30.793 13.539 1.00 20.00 H new ATOM 0 HB3 SER A 14 20.254 30.638 14.976 1.00 20.00 H new ATOM 0 HG SER A 14 21.296 31.874 13.321 1.00 20.00 H new ATOM 196 N ASP A 15 21.765 28.288 15.557 1.00 20.00 N ATOM 197 CA ASP A 15 23.039 27.844 16.125 1.00 20.00 C ATOM 198 C ASP A 15 23.052 26.363 16.533 1.00 20.00 C ATOM 199 O ASP A 15 24.124 25.858 16.862 1.00 20.00 O ATOM 200 CB ASP A 15 23.408 28.722 17.331 1.00 20.00 C ATOM 201 CG ASP A 15 23.534 30.201 16.965 1.00 20.00 C ATOM 202 OD1 ASP A 15 22.890 31.020 17.655 1.00 20.00 O ATOM 203 OD2 ASP A 15 24.273 30.504 16.003 1.00 20.00 O ATOM 0 H ASP A 15 21.129 28.681 16.251 1.00 20.00 H new ATOM 0 HA ASP A 15 23.781 27.951 15.334 1.00 20.00 H new ATOM 0 HB2 ASP A 15 22.650 28.607 18.105 1.00 20.00 H new ATOM 0 HB3 ASP A 15 24.351 28.375 17.754 1.00 20.00 H new ATOM 208 N CYS A 16 21.906 25.663 16.492 1.00 20.00 N ATOM 209 CA CYS A 16 21.764 24.272 16.909 1.00 20.00 C ATOM 210 C CYS A 16 21.382 23.390 15.707 1.00 20.00 C ATOM 211 O CYS A 16 20.202 23.082 15.535 1.00 20.00 O ATOM 212 CB CYS A 16 20.774 24.191 18.082 1.00 20.00 C ATOM 213 SG CYS A 16 20.563 22.559 18.849 1.00 20.00 S ATOM 0 H CYS A 16 21.032 26.068 16.157 1.00 20.00 H new ATOM 0 HA CYS A 16 22.714 23.880 17.272 1.00 20.00 H new ATOM 0 HB2 CYS A 16 21.099 24.891 18.852 1.00 20.00 H new ATOM 0 HB3 CYS A 16 19.800 24.532 17.731 1.00 20.00 H new ATOM 218 N PRO A 17 22.358 22.984 14.867 1.00 20.00 N ATOM 219 CA PRO A 17 22.130 22.128 13.705 1.00 20.00 C ATOM 220 C PRO A 17 21.879 20.662 14.095 1.00 20.00 C ATOM 221 O PRO A 17 22.048 20.262 15.249 1.00 20.00 O ATOM 222 CB PRO A 17 23.403 22.270 12.859 1.00 20.00 C ATOM 223 CG PRO A 17 24.489 22.504 13.904 1.00 20.00 C ATOM 224 CD PRO A 17 23.763 23.371 14.926 1.00 20.00 C ATOM 0 HA PRO A 17 21.234 22.428 13.162 1.00 20.00 H new ATOM 0 HB2 PRO A 17 23.597 21.374 12.270 1.00 20.00 H new ATOM 0 HB3 PRO A 17 23.331 23.103 12.159 1.00 20.00 H new ATOM 0 HG2 PRO A 17 24.844 21.570 14.340 1.00 20.00 H new ATOM 0 HG3 PRO A 17 25.358 23.010 13.483 1.00 20.00 H new ATOM 0 HD2 PRO A 17 24.168 23.215 15.926 1.00 20.00 H new ATOM 0 HD3 PRO A 17 23.885 24.429 14.695 1.00 20.00 H new ATOM 232 N GLN A 18 21.518 19.855 13.088 1.00 20.00 N ATOM 233 CA GLN A 18 21.331 18.407 13.183 1.00 20.00 C ATOM 234 C GLN A 18 22.638 17.634 13.455 1.00 20.00 C ATOM 235 O GLN A 18 22.585 16.429 13.700 1.00 20.00 O ATOM 236 CB GLN A 18 20.687 17.894 11.885 1.00 20.00 C ATOM 237 CG GLN A 18 19.261 18.423 11.672 1.00 20.00 C ATOM 238 CD GLN A 18 18.670 17.885 10.371 1.00 20.00 C ATOM 239 OE1 GLN A 18 18.270 16.725 10.300 1.00 20.00 O ATOM 240 NE2 GLN A 18 18.612 18.713 9.331 1.00 20.00 N ATOM 0 H GLN A 18 21.342 20.211 12.148 1.00 20.00 H new ATOM 0 HA GLN A 18 20.681 18.226 14.039 1.00 20.00 H new ATOM 0 HB2 GLN A 18 21.307 18.187 11.038 1.00 20.00 H new ATOM 0 HB3 GLN A 18 20.665 16.804 11.903 1.00 20.00 H new ATOM 0 HG2 GLN A 18 18.631 18.130 12.511 1.00 20.00 H new ATOM 0 HG3 GLN A 18 19.273 19.513 11.648 1.00 20.00 H new ATOM 0 HE21 GLN A 18 18.952 19.670 9.422 1.00 20.00 H new ATOM 0 HE22 GLN A 18 18.227 18.390 8.443 1.00 20.00 H new ATOM 249 N GLU A 19 23.797 18.308 13.425 1.00 20.00 N ATOM 250 CA GLU A 19 25.112 17.741 13.719 1.00 20.00 C ATOM 251 C GLU A 19 25.497 17.903 15.198 1.00 20.00 C ATOM 252 O GLU A 19 26.241 17.073 15.721 1.00 20.00 O ATOM 253 CB GLU A 19 26.155 18.440 12.836 1.00 20.00 C ATOM 254 CG GLU A 19 25.991 18.068 11.354 1.00 20.00 C ATOM 255 CD GLU A 19 27.002 18.800 10.473 1.00 20.00 C ATOM 256 OE1 GLU A 19 28.178 18.371 10.457 1.00 20.00 O ATOM 257 OE2 GLU A 19 26.586 19.779 9.812 1.00 20.00 O ATOM 0 H GLU A 19 23.841 19.299 13.186 1.00 20.00 H new ATOM 0 HA GLU A 19 25.078 16.672 13.509 1.00 20.00 H new ATOM 0 HB2 GLU A 19 26.064 19.520 12.952 1.00 20.00 H new ATOM 0 HB3 GLU A 19 27.156 18.167 13.171 1.00 20.00 H new ATOM 0 HG2 GLU A 19 26.115 16.992 11.233 1.00 20.00 H new ATOM 0 HG3 GLU A 19 24.980 18.311 11.027 1.00 20.00 H new ATOM 264 N ALA A 20 24.982 18.945 15.869 1.00 20.00 N ATOM 265 CA ALA A 20 25.287 19.274 17.262 1.00 20.00 C ATOM 266 C ALA A 20 24.187 18.860 18.254 1.00 20.00 C ATOM 267 O ALA A 20 24.436 18.888 19.462 1.00 20.00 O ATOM 268 CB ALA A 20 25.558 20.777 17.364 1.00 20.00 C ATOM 0 H ALA A 20 24.324 19.597 15.442 1.00 20.00 H new ATOM 0 HA ALA A 20 26.168 18.698 17.545 1.00 20.00 H new ATOM 0 HB1 ALA A 20 25.787 21.036 18.398 1.00 20.00 H new ATOM 0 HB2 ALA A 20 26.404 21.038 16.729 1.00 20.00 H new ATOM 0 HB3 ALA A 20 24.676 21.329 17.038 1.00 20.00 H new ATOM 274 N ARG A 21 22.997 18.467 17.766 1.00 20.00 N ATOM 275 CA ARG A 21 21.868 18.042 18.595 1.00 20.00 C ATOM 276 C ARG A 21 22.233 16.826 19.450 1.00 20.00 C ATOM 277 O ARG A 21 22.895 15.902 18.972 1.00 20.00 O ATOM 278 CB ARG A 21 20.622 17.768 17.729 1.00 20.00 C ATOM 279 CG ARG A 21 20.767 16.627 16.715 1.00 20.00 C ATOM 280 CD ARG A 21 19.470 16.454 15.914 1.00 20.00 C ATOM 281 NE ARG A 21 19.698 15.649 14.707 1.00 20.00 N ATOM 282 CZ ARG A 21 19.752 14.311 14.618 1.00 20.00 C ATOM 283 NH1 ARG A 21 19.523 13.521 15.667 1.00 20.00 N ATOM 284 NH2 ARG A 21 20.050 13.748 13.448 1.00 20.00 N ATOM 0 H ARG A 21 22.795 18.437 16.767 1.00 20.00 H new ATOM 0 HA ARG A 21 21.627 18.858 19.276 1.00 20.00 H new ATOM 0 HB2 ARG A 21 19.784 17.542 18.388 1.00 20.00 H new ATOM 0 HB3 ARG A 21 20.366 18.680 17.190 1.00 20.00 H new ATOM 0 HG2 ARG A 21 21.595 16.837 16.038 1.00 20.00 H new ATOM 0 HG3 ARG A 21 21.008 15.699 17.234 1.00 20.00 H new ATOM 0 HD2 ARG A 21 18.715 15.975 16.537 1.00 20.00 H new ATOM 0 HD3 ARG A 21 19.078 17.432 15.634 1.00 20.00 H new ATOM 0 HE ARG A 21 19.830 16.166 13.837 1.00 20.00 H new ATOM 0 HH11 ARG A 21 19.298 13.930 16.574 1.00 20.00 H new ATOM 0 HH12 ARG A 21 19.573 12.508 15.563 1.00 20.00 H new ATOM 0 HH21 ARG A 21 20.234 14.333 12.633 1.00 20.00 H new ATOM 0 HH22 ARG A 21 20.094 12.732 13.367 1.00 20.00 H new ATOM 298 N LEU A 22 21.776 16.822 20.707 1.00 20.00 N ATOM 299 CA LEU A 22 21.906 15.676 21.596 1.00 20.00 C ATOM 300 C LEU A 22 20.751 14.699 21.379 1.00 20.00 C ATOM 301 O LEU A 22 19.737 15.032 20.763 1.00 20.00 O ATOM 302 CB LEU A 22 21.960 16.183 23.043 1.00 20.00 C ATOM 303 CG LEU A 22 23.340 16.783 23.373 1.00 20.00 C ATOM 304 CD1 LEU A 22 23.200 17.739 24.550 1.00 20.00 C ATOM 305 CD2 LEU A 22 24.361 15.687 23.713 1.00 20.00 C ATOM 0 H LEU A 22 21.304 17.620 21.132 1.00 20.00 H new ATOM 0 HA LEU A 22 22.826 15.133 21.379 1.00 20.00 H new ATOM 0 HB2 LEU A 22 21.187 16.936 23.196 1.00 20.00 H new ATOM 0 HB3 LEU A 22 21.745 15.362 23.727 1.00 20.00 H new ATOM 0 HG LEU A 22 23.703 17.318 22.495 1.00 20.00 H new ATOM 0 HD11 LEU A 22 24.174 18.167 24.789 1.00 20.00 H new ATOM 0 HD12 LEU A 22 22.506 18.538 24.289 1.00 20.00 H new ATOM 0 HD13 LEU A 22 22.820 17.197 25.416 1.00 20.00 H new ATOM 0 HD21 LEU A 22 25.324 16.145 23.941 1.00 20.00 H new ATOM 0 HD22 LEU A 22 24.014 15.122 24.578 1.00 20.00 H new ATOM 0 HD23 LEU A 22 24.471 15.015 22.862 1.00 20.00 H new ATOM 317 N SER A 23 20.917 13.484 21.913 1.00 20.00 N ATOM 318 CA SER A 23 19.920 12.413 21.830 1.00 20.00 C ATOM 319 C SER A 23 18.747 12.628 22.807 1.00 20.00 C ATOM 320 O SER A 23 17.751 11.906 22.751 1.00 20.00 O ATOM 321 CB SER A 23 20.621 11.071 22.076 1.00 20.00 C ATOM 322 OG SER A 23 19.797 9.991 21.688 1.00 20.00 O ATOM 0 H SER A 23 21.759 13.214 22.422 1.00 20.00 H new ATOM 0 HA SER A 23 19.479 12.418 20.833 1.00 20.00 H new ATOM 0 HB2 SER A 23 21.557 11.038 21.518 1.00 20.00 H new ATOM 0 HB3 SER A 23 20.876 10.978 23.132 1.00 20.00 H new ATOM 0 HG SER A 23 18.863 10.200 21.899 1.00 20.00 H new ATOM 328 N TYR A 24 18.865 13.634 23.682 1.00 20.00 N ATOM 329 CA TYR A 24 17.926 14.010 24.729 1.00 20.00 C ATOM 330 C TYR A 24 17.854 15.538 24.863 1.00 20.00 C ATOM 331 O TYR A 24 18.642 16.266 24.252 1.00 20.00 O ATOM 332 CB TYR A 24 18.362 13.331 26.044 1.00 20.00 C ATOM 333 CG TYR A 24 19.858 13.311 26.346 1.00 20.00 C ATOM 334 CD1 TYR A 24 20.619 14.501 26.377 1.00 20.00 C ATOM 335 CD2 TYR A 24 20.493 12.077 26.606 1.00 20.00 C ATOM 336 CE1 TYR A 24 21.991 14.455 26.679 1.00 20.00 C ATOM 337 CE2 TYR A 24 21.867 12.027 26.899 1.00 20.00 C ATOM 338 CZ TYR A 24 22.621 13.222 26.940 1.00 20.00 C ATOM 339 OH TYR A 24 23.951 13.190 27.235 1.00 20.00 O ATOM 0 H TYR A 24 19.680 14.247 23.670 1.00 20.00 H new ATOM 0 HA TYR A 24 16.921 13.671 24.477 1.00 20.00 H new ATOM 0 HB2 TYR A 24 17.856 13.832 26.869 1.00 20.00 H new ATOM 0 HB3 TYR A 24 18.005 12.301 26.029 1.00 20.00 H new ATOM 0 HD1 TYR A 24 20.145 15.449 26.168 1.00 20.00 H new ATOM 0 HD2 TYR A 24 19.918 11.163 26.580 1.00 20.00 H new ATOM 0 HE1 TYR A 24 22.565 15.369 26.711 1.00 20.00 H new ATOM 0 HE2 TYR A 24 22.345 11.078 27.092 1.00 20.00 H new ATOM 0 HH TYR A 24 24.230 12.263 27.390 1.00 20.00 H new ATOM 349 N GLY A 25 16.922 16.017 25.696 1.00 20.00 N ATOM 350 CA GLY A 25 16.907 17.397 26.152 1.00 20.00 C ATOM 351 C GLY A 25 15.600 17.807 26.824 1.00 20.00 C ATOM 352 O GLY A 25 14.604 17.084 26.791 1.00 20.00 O ATOM 0 H GLY A 25 16.159 15.451 26.069 1.00 20.00 H new ATOM 0 HA2 GLY A 25 17.728 17.548 26.853 1.00 20.00 H new ATOM 0 HA3 GLY A 25 17.089 18.053 25.301 1.00 20.00 H new ATOM 356 N GLY A 26 15.628 19.007 27.416 1.00 20.00 N ATOM 357 CA GLY A 26 14.525 19.615 28.152 1.00 20.00 C ATOM 358 C GLY A 26 14.416 21.124 27.920 1.00 20.00 C ATOM 359 O GLY A 26 13.824 21.816 28.747 1.00 20.00 O ATOM 0 H GLY A 26 16.456 19.601 27.391 1.00 20.00 H new ATOM 0 HA2 GLY A 26 13.591 19.138 27.856 1.00 20.00 H new ATOM 0 HA3 GLY A 26 14.657 19.425 29.217 1.00 20.00 H new ATOM 363 N CYS A 27 14.994 21.640 26.825 1.00 20.00 N ATOM 364 CA CYS A 27 14.802 23.009 26.349 1.00 20.00 C ATOM 365 C CYS A 27 13.360 23.213 25.844 1.00 20.00 C ATOM 366 O CYS A 27 12.546 22.286 25.863 1.00 20.00 O ATOM 367 CB CYS A 27 15.827 23.293 25.244 1.00 20.00 C ATOM 368 SG CYS A 27 17.571 23.105 25.718 1.00 20.00 S ATOM 0 H CYS A 27 15.624 21.098 26.233 1.00 20.00 H new ATOM 0 HA CYS A 27 14.956 23.711 27.169 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.624 22.627 24.406 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.675 24.311 24.886 1.00 20.00 H new ATOM 373 N SER A 28 13.035 24.431 25.391 1.00 20.00 N ATOM 374 CA SER A 28 11.696 24.773 24.915 1.00 20.00 C ATOM 375 C SER A 28 11.499 24.389 23.444 1.00 20.00 C ATOM 376 O SER A 28 10.358 24.215 23.015 1.00 20.00 O ATOM 377 CB SER A 28 11.458 26.275 25.112 1.00 20.00 C ATOM 378 OG SER A 28 10.084 26.571 24.982 1.00 20.00 O ATOM 0 H SER A 28 13.697 25.206 25.346 1.00 20.00 H new ATOM 0 HA SER A 28 10.970 24.204 25.496 1.00 20.00 H new ATOM 0 HB2 SER A 28 11.812 26.581 26.097 1.00 20.00 H new ATOM 0 HB3 SER A 28 12.031 26.841 24.377 1.00 20.00 H new ATOM 0 HG SER A 28 9.943 27.532 25.111 1.00 20.00 H new ATOM 384 N THR A 29 12.601 24.242 22.690 1.00 20.00 N ATOM 385 CA THR A 29 12.597 23.943 21.260 1.00 20.00 C ATOM 386 C THR A 29 13.642 22.876 20.918 1.00 20.00 C ATOM 387 O THR A 29 13.279 21.822 20.396 1.00 20.00 O ATOM 388 CB THR A 29 12.805 25.228 20.428 1.00 20.00 C ATOM 389 OG1 THR A 29 13.996 25.892 20.793 1.00 20.00 O ATOM 390 CG2 THR A 29 11.653 26.220 20.599 1.00 20.00 C ATOM 0 H THR A 29 13.541 24.332 23.075 1.00 20.00 H new ATOM 0 HA THR A 29 11.619 23.537 21.001 1.00 20.00 H new ATOM 0 HB THR A 29 12.855 24.900 19.390 1.00 20.00 H new ATOM 0 HG1 THR A 29 14.100 26.700 20.248 1.00 20.00 H new ATOM 0 HG21 THR A 29 11.844 27.107 19.995 1.00 20.00 H new ATOM 0 HG22 THR A 29 10.722 25.755 20.276 1.00 20.00 H new ATOM 0 HG23 THR A 29 11.571 26.506 21.648 1.00 20.00 H new ATOM 398 N VAL A 30 14.927 23.154 21.189 1.00 20.00 N ATOM 399 CA VAL A 30 16.076 22.332 20.793 1.00 20.00 C ATOM 400 C VAL A 30 17.197 22.439 21.835 1.00 20.00 C ATOM 401 O VAL A 30 17.327 23.462 22.507 1.00 20.00 O ATOM 402 CB VAL A 30 16.606 22.732 19.387 1.00 20.00 C ATOM 403 CG1 VAL A 30 15.590 22.473 18.262 1.00 20.00 C ATOM 404 CG2 VAL A 30 17.085 24.188 19.290 1.00 20.00 C ATOM 0 H VAL A 30 15.202 23.988 21.709 1.00 20.00 H new ATOM 0 HA VAL A 30 15.739 21.297 20.741 1.00 20.00 H new ATOM 0 HB VAL A 30 17.468 22.079 19.250 1.00 20.00 H new ATOM 0 HG11 VAL A 30 16.021 22.773 17.307 1.00 20.00 H new ATOM 0 HG12 VAL A 30 15.344 21.412 18.232 1.00 20.00 H new ATOM 0 HG13 VAL A 30 14.685 23.050 18.449 1.00 20.00 H new ATOM 0 HG21 VAL A 30 17.439 24.388 18.279 1.00 20.00 H new ATOM 0 HG22 VAL A 30 16.259 24.859 19.525 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.898 24.352 19.998 1.00 20.00 H new ATOM 414 N CYS A 31 18.040 21.401 21.921 1.00 20.00 N ATOM 415 CA CYS A 31 19.188 21.322 22.817 1.00 20.00 C ATOM 416 C CYS A 31 20.422 20.832 22.059 1.00 20.00 C ATOM 417 O CYS A 31 20.364 19.825 21.349 1.00 20.00 O ATOM 418 CB CYS A 31 18.873 20.389 23.990 1.00 20.00 C ATOM 419 SG CYS A 31 20.211 20.308 25.216 1.00 20.00 S ATOM 0 H CYS A 31 17.932 20.566 21.345 1.00 20.00 H new ATOM 0 HA CYS A 31 19.399 22.317 23.208 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.960 20.727 24.480 1.00 20.00 H new ATOM 0 HB3 CYS A 31 18.678 19.387 23.607 1.00 20.00 H new ATOM 424 N CYS A 32 21.541 21.541 22.250 1.00 20.00 N ATOM 425 CA CYS A 32 22.834 21.235 21.664 1.00 20.00 C ATOM 426 C CYS A 32 23.924 21.256 22.738 1.00 20.00 C ATOM 427 O CYS A 32 23.903 22.085 23.651 1.00 20.00 O ATOM 428 CB CYS A 32 23.135 22.244 20.550 1.00 20.00 C ATOM 429 SG CYS A 32 22.443 21.781 18.939 1.00 20.00 S ATOM 0 H CYS A 32 21.562 22.373 22.840 1.00 20.00 H new ATOM 0 HA CYS A 32 22.813 20.233 21.234 1.00 20.00 H new ATOM 0 HB2 CYS A 32 22.740 23.218 20.838 1.00 20.00 H new ATOM 0 HB3 CYS A 32 24.215 22.353 20.453 1.00 20.00 H new ATOM 434 N ASP A 33 24.897 20.348 22.585 1.00 20.00 N ATOM 435 CA ASP A 33 26.112 20.309 23.386 1.00 20.00 C ATOM 436 C ASP A 33 27.045 21.441 22.950 1.00 20.00 C ATOM 437 O ASP A 33 27.712 21.345 21.920 1.00 20.00 O ATOM 438 CB ASP A 33 26.780 18.927 23.282 1.00 20.00 C ATOM 439 CG ASP A 33 28.241 18.910 23.752 1.00 20.00 C ATOM 440 OD1 ASP A 33 29.054 18.253 23.064 1.00 20.00 O ATOM 441 OD2 ASP A 33 28.531 19.547 24.790 1.00 20.00 O ATOM 0 H ASP A 33 24.854 19.608 21.884 1.00 20.00 H new ATOM 0 HA ASP A 33 25.868 20.462 24.437 1.00 20.00 H new ATOM 0 HB2 ASP A 33 26.209 18.212 23.874 1.00 20.00 H new ATOM 0 HB3 ASP A 33 26.737 18.590 22.246 1.00 20.00 H new ATOM 446 N LEU A 34 27.093 22.492 23.773 1.00 20.00 N ATOM 447 CA LEU A 34 28.036 23.604 23.694 1.00 20.00 C ATOM 448 C LEU A 34 29.006 23.639 24.884 1.00 20.00 C ATOM 449 O LEU A 34 29.862 24.520 24.942 1.00 20.00 O ATOM 450 CB LEU A 34 27.255 24.911 23.487 1.00 20.00 C ATOM 451 CG LEU A 34 26.308 25.357 24.624 1.00 20.00 C ATOM 452 CD1 LEU A 34 27.022 26.056 25.792 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.273 26.322 24.035 1.00 20.00 C ATOM 0 H LEU A 34 26.441 22.593 24.551 1.00 20.00 H new ATOM 0 HA LEU A 34 28.686 23.465 22.830 1.00 20.00 H new ATOM 0 HB2 LEU A 34 27.975 25.711 23.314 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.665 24.811 22.576 1.00 20.00 H new ATOM 0 HG LEU A 34 25.852 24.455 25.032 1.00 20.00 H new ATOM 0 HD11 LEU A 34 26.290 26.339 26.549 1.00 20.00 H new ATOM 0 HD12 LEU A 34 27.754 25.377 26.230 1.00 20.00 H new ATOM 0 HD13 LEU A 34 27.529 26.949 25.426 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.593 26.650 24.821 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.782 27.187 23.611 1.00 20.00 H new ATOM 0 HD23 LEU A 34 24.707 25.815 23.253 1.00 20.00 H new ATOM 465 N SER A 35 28.879 22.676 25.809 1.00 20.00 N ATOM 466 CA SER A 35 29.662 22.547 27.037 1.00 20.00 C ATOM 467 C SER A 35 31.166 22.355 26.784 1.00 20.00 C ATOM 468 O SER A 35 31.967 22.688 27.658 1.00 20.00 O ATOM 469 CB SER A 35 29.091 21.375 27.849 1.00 20.00 C ATOM 470 OG SER A 35 29.737 21.247 29.100 1.00 20.00 O ATOM 0 H SER A 35 28.190 21.930 25.711 1.00 20.00 H new ATOM 0 HA SER A 35 29.579 23.481 27.593 1.00 20.00 H new ATOM 0 HB2 SER A 35 28.023 21.525 28.004 1.00 20.00 H new ATOM 0 HB3 SER A 35 29.204 20.450 27.284 1.00 20.00 H new ATOM 0 HG SER A 35 29.350 20.494 29.593 1.00 20.00 H new ATOM 476 N LYS A 36 31.554 21.859 25.598 1.00 20.00 N ATOM 477 CA LYS A 36 32.950 21.706 25.184 1.00 20.00 C ATOM 478 C LYS A 36 33.666 23.059 25.111 1.00 20.00 C ATOM 479 O LYS A 36 34.763 23.200 25.649 1.00 20.00 O ATOM 480 CB LYS A 36 33.027 20.993 23.825 1.00 20.00 C ATOM 481 CG LYS A 36 32.525 19.540 23.904 1.00 20.00 C ATOM 482 CD LYS A 36 32.825 18.748 22.627 1.00 20.00 C ATOM 483 CE LYS A 36 32.077 19.320 21.420 1.00 20.00 C ATOM 484 NZ LYS A 36 32.346 18.536 20.206 1.00 20.00 N ATOM 0 H LYS A 36 30.890 21.548 24.889 1.00 20.00 H new ATOM 0 HA LYS A 36 33.455 21.100 25.936 1.00 20.00 H new ATOM 0 HB2 LYS A 36 32.433 21.542 23.094 1.00 20.00 H new ATOM 0 HB3 LYS A 36 34.057 21.001 23.470 1.00 20.00 H new ATOM 0 HG2 LYS A 36 32.992 19.043 24.755 1.00 20.00 H new ATOM 0 HG3 LYS A 36 31.450 19.539 24.085 1.00 20.00 H new ATOM 0 HD2 LYS A 36 33.897 18.764 22.432 1.00 20.00 H new ATOM 0 HD3 LYS A 36 32.542 17.705 22.770 1.00 20.00 H new ATOM 0 HE2 LYS A 36 31.006 19.326 21.622 1.00 20.00 H new ATOM 0 HE3 LYS A 36 32.377 20.356 21.261 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 31.826 18.947 19.405 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 33.366 18.552 20.001 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 32.037 17.554 20.352 1.00 20.00 H new ATOM 498 N LEU A 37 33.035 24.044 24.456 1.00 20.00 N ATOM 499 CA LEU A 37 33.519 25.415 24.326 1.00 20.00 C ATOM 500 C LEU A 37 33.258 26.200 25.618 1.00 20.00 C ATOM 501 O LEU A 37 34.200 26.741 26.196 1.00 20.00 O ATOM 502 CB LEU A 37 32.826 26.080 23.121 1.00 20.00 C ATOM 503 CG LEU A 37 33.269 25.512 21.755 1.00 20.00 C ATOM 504 CD1 LEU A 37 32.286 25.949 20.658 1.00 20.00 C ATOM 505 CD2 LEU A 37 34.683 25.981 21.375 1.00 20.00 C ATOM 0 H LEU A 37 32.141 23.897 23.987 1.00 20.00 H new ATOM 0 HA LEU A 37 34.596 25.410 24.157 1.00 20.00 H new ATOM 0 HB2 LEU A 37 31.747 25.959 23.222 1.00 20.00 H new ATOM 0 HB3 LEU A 37 33.030 27.151 23.142 1.00 20.00 H new ATOM 0 HG LEU A 37 33.277 24.426 21.842 1.00 20.00 H new ATOM 0 HD11 LEU A 37 32.607 25.543 19.699 1.00 20.00 H new ATOM 0 HD12 LEU A 37 31.289 25.577 20.894 1.00 20.00 H new ATOM 0 HD13 LEU A 37 32.263 27.037 20.602 1.00 20.00 H new ATOM 0 HD21 LEU A 37 34.958 25.560 20.408 1.00 20.00 H new ATOM 0 HD22 LEU A 37 34.702 27.069 21.316 1.00 20.00 H new ATOM 0 HD23 LEU A 37 35.393 25.647 22.132 1.00 20.00 H new ATOM 517 N THR A 38 31.990 26.237 26.065 1.00 20.00 N ATOM 518 CA THR A 38 31.462 26.939 27.240 1.00 20.00 C ATOM 519 C THR A 38 32.043 28.357 27.437 1.00 20.00 C ATOM 520 O THR A 38 32.405 28.750 28.548 1.00 20.00 O ATOM 521 CB THR A 38 31.495 26.011 28.475 1.00 20.00 C ATOM 522 OG1 THR A 38 30.759 26.592 29.531 1.00 20.00 O ATOM 523 CG2 THR A 38 32.890 25.627 28.988 1.00 20.00 C ATOM 0 H THR A 38 31.252 25.735 25.571 1.00 20.00 H new ATOM 0 HA THR A 38 30.410 27.163 27.065 1.00 20.00 H new ATOM 0 HB THR A 38 31.047 25.079 28.129 1.00 20.00 H new ATOM 0 HG1 THR A 38 31.110 27.487 29.721 1.00 20.00 H new ATOM 0 HG21 THR A 38 32.792 24.975 29.856 1.00 20.00 H new ATOM 0 HG22 THR A 38 33.436 25.105 28.202 1.00 20.00 H new ATOM 0 HG23 THR A 38 33.434 26.528 29.271 1.00 20.00 H new ATOM 531 N GLY A 39 32.135 29.124 26.338 1.00 20.00 N ATOM 532 CA GLY A 39 32.730 30.457 26.295 1.00 20.00 C ATOM 533 C GLY A 39 31.700 31.584 26.369 1.00 20.00 C ATOM 534 O GLY A 39 30.666 31.413 27.052 1.00 20.00 O ATOM 0 H GLY A 39 31.785 28.818 25.430 1.00 20.00 H new ATOM 0 HA2 GLY A 39 33.431 30.561 27.123 1.00 20.00 H new ATOM 0 HA3 GLY A 39 33.305 30.560 25.375 1.00 20.00 H new TER 538 GLY A 39