USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 132 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A -1 GLY H1 : A -1 GLY N : A 21 GLY C :(NH2R) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.18) USER MOD Single : A -1 GLY N :NH3+ -134:sc= 0.0651 (180deg=-0.0196) USER MOD Single : A 13 SER OG : rot -80:sc= 0.323 USER MOD Single : A 14 SER OG : rot -89:sc= 0.0539 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.127 -8.421 -0.910 1.00 0.00 N ATOM 2 CA GLY A -1 24.361 -8.513 0.319 1.00 0.00 C ATOM 3 C GLY A -1 23.890 -7.154 0.817 1.00 0.00 C ATOM 4 O GLY A -1 23.992 -6.154 0.100 1.00 0.00 O ATOM 0 H2 GLY A -1 24.796 -9.144 -1.580 1.00 0.00 H new ATOM 0 H3 GLY A -1 25.001 -7.477 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.496 -9.156 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A -1 24.971 -8.987 1.088 1.00 0.00 H new ATOM 8 N ASP A 1 23.373 -7.119 2.046 1.00 0.00 N ATOM 9 CA ASP A 1 22.881 -5.874 2.646 1.00 0.00 C ATOM 10 C ASP A 1 24.014 -4.867 2.873 1.00 0.00 C ATOM 11 O ASP A 1 23.785 -3.657 2.836 1.00 0.00 O ATOM 12 CB ASP A 1 22.172 -6.164 3.974 1.00 0.00 C ATOM 13 CG ASP A 1 20.867 -6.914 3.782 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.828 -6.254 3.570 1.00 0.00 O ATOM 15 OD2 ASP A 1 20.885 -8.162 3.842 1.00 0.00 O ATOM 0 H ASP A 1 23.283 -7.938 2.647 1.00 0.00 H new ATOM 0 HA ASP A 1 22.172 -5.433 1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 1 22.832 -6.748 4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.975 -5.224 4.490 1.00 0.00 H new ATOM 20 N ALA A 2 25.231 -5.369 3.108 1.00 0.00 N ATOM 21 CA ALA A 2 26.394 -4.506 3.339 1.00 0.00 C ATOM 22 C ALA A 2 26.573 -3.483 2.215 1.00 0.00 C ATOM 23 O ALA A 2 26.934 -2.333 2.472 1.00 0.00 O ATOM 24 CB ALA A 2 27.660 -5.342 3.496 1.00 0.00 C ATOM 0 H ALA A 2 25.436 -6.368 3.143 1.00 0.00 H new ATOM 0 HA ALA A 2 26.214 -3.958 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.512 -4.684 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.547 -6.017 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.827 -5.924 2.589 1.00 0.00 H new ATOM 30 N TYR A 3 26.317 -3.904 0.972 1.00 0.00 N ATOM 31 CA TYR A 3 26.450 -3.016 -0.182 1.00 0.00 C ATOM 32 C TYR A 3 25.430 -1.877 -0.131 1.00 0.00 C ATOM 33 O TYR A 3 25.738 -0.748 -0.519 1.00 0.00 O ATOM 34 CB TYR A 3 26.297 -3.800 -1.487 1.00 0.00 C ATOM 35 CG TYR A 3 26.746 -3.029 -2.710 1.00 0.00 C ATOM 36 CD1 TYR A 3 28.095 -2.797 -2.956 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.818 -2.531 -3.617 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.504 -2.092 -4.072 1.00 0.00 C ATOM 39 CE2 TYR A 3 26.221 -1.825 -4.733 1.00 0.00 C ATOM 40 CZ TYR A 3 27.564 -1.608 -4.956 1.00 0.00 C ATOM 41 OH TYR A 3 27.969 -0.905 -6.068 1.00 0.00 O ATOM 0 H TYR A 3 26.018 -4.852 0.742 1.00 0.00 H new ATOM 0 HA TYR A 3 27.448 -2.579 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.873 -4.723 -1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 3 25.252 -4.085 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.834 -3.174 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.765 -2.699 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.555 -1.921 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.487 -1.444 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 3 27.184 -0.635 -6.588 1.00 0.00 H new ATOM 51 N ALA A 4 24.221 -2.173 0.358 1.00 0.00 N ATOM 52 CA ALA A 4 23.170 -1.161 0.468 1.00 0.00 C ATOM 53 C ALA A 4 23.638 0.010 1.332 1.00 0.00 C ATOM 54 O ALA A 4 23.443 1.172 0.973 1.00 0.00 O ATOM 55 CB ALA A 4 21.898 -1.772 1.042 1.00 0.00 C ATOM 0 H ALA A 4 23.949 -3.101 0.682 1.00 0.00 H new ATOM 0 HA ALA A 4 22.952 -0.784 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.127 -1.005 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.551 -2.572 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 4 22.104 -2.177 2.033 1.00 0.00 H new ATOM 61 N GLN A 5 24.274 -0.309 2.463 1.00 0.00 N ATOM 62 CA GLN A 5 24.793 0.712 3.374 1.00 0.00 C ATOM 63 C GLN A 5 25.995 1.423 2.753 1.00 0.00 C ATOM 64 O GLN A 5 26.175 2.628 2.934 1.00 0.00 O ATOM 65 CB GLN A 5 25.196 0.085 4.712 1.00 0.00 C ATOM 66 CG GLN A 5 24.041 -0.568 5.458 1.00 0.00 C ATOM 67 CD GLN A 5 24.308 -2.025 5.795 1.00 0.00 C ATOM 68 OE1 GLN A 5 25.390 -2.378 6.264 1.00 0.00 O ATOM 69 NE2 GLN A 5 23.319 -2.881 5.557 1.00 0.00 N ATOM 0 H GLN A 5 24.441 -1.268 2.769 1.00 0.00 H new ATOM 0 HA GLN A 5 24.003 1.442 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.970 -0.662 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.636 0.855 5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 5 23.850 -0.016 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 5 23.138 -0.499 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.438 -2.547 5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 5 23.442 -3.872 5.764 1.00 0.00 H new ATOM 78 N TRP A 6 26.808 0.662 2.016 1.00 0.00 N ATOM 79 CA TRP A 6 27.994 1.203 1.352 1.00 0.00 C ATOM 80 C TRP A 6 27.614 2.337 0.398 1.00 0.00 C ATOM 81 O TRP A 6 28.231 3.403 0.415 1.00 0.00 O ATOM 82 CB TRP A 6 28.720 0.091 0.591 1.00 0.00 C ATOM 83 CG TRP A 6 30.037 0.514 0.019 1.00 0.00 C ATOM 84 CD1 TRP A 6 31.196 0.737 0.703 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.330 0.762 -1.361 1.00 0.00 C ATOM 86 NE1 TRP A 6 32.190 1.115 -0.166 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.684 1.136 -1.439 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.579 0.705 -2.536 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.300 1.451 -2.648 1.00 0.00 C ATOM 90 CZ3 TRP A 6 30.192 1.017 -3.735 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.542 1.385 -3.780 1.00 0.00 C ATOM 0 H TRP A 6 26.664 -0.336 1.864 1.00 0.00 H new ATOM 0 HA TRP A 6 28.661 1.608 2.113 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.880 -0.752 1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 6 28.079 -0.262 -0.217 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.315 0.632 1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 6 33.150 1.343 0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.537 0.422 -2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.341 1.737 -2.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.621 0.976 -4.651 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.993 1.622 -4.732 1.00 0.00 H new ATOM 102 N LEU A 7 26.583 2.104 -0.421 1.00 0.00 N ATOM 103 CA LEU A 7 26.107 3.110 -1.369 1.00 0.00 C ATOM 104 C LEU A 7 25.516 4.307 -0.624 1.00 0.00 C ATOM 105 O LEU A 7 25.718 5.456 -1.023 1.00 0.00 O ATOM 106 CB LEU A 7 25.051 2.513 -2.306 1.00 0.00 C ATOM 107 CG LEU A 7 25.577 1.535 -3.362 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.419 0.892 -4.110 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.519 2.233 -4.338 1.00 0.00 C ATOM 0 H LEU A 7 26.064 1.226 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 7 26.957 3.444 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.304 1.999 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.541 3.330 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 7 26.141 0.756 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.808 0.200 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.788 0.349 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.831 1.665 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.876 1.514 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 7 25.987 3.038 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.368 2.646 -3.793 1.00 0.00 H new ATOM 121 N ALA A 8 24.792 4.027 0.465 1.00 0.00 N ATOM 122 CA ALA A 8 24.176 5.076 1.278 1.00 0.00 C ATOM 123 C ALA A 8 25.227 6.005 1.890 1.00 0.00 C ATOM 124 O ALA A 8 24.944 7.171 2.169 1.00 0.00 O ATOM 125 CB ALA A 8 23.313 4.462 2.369 1.00 0.00 C ATOM 0 H ALA A 8 24.619 3.080 0.803 1.00 0.00 H new ATOM 0 HA ALA A 8 23.545 5.676 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.862 5.255 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.528 3.858 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.930 3.833 3.010 1.00 0.00 H new ATOM 131 N ASP A 9 26.443 5.484 2.089 1.00 0.00 N ATOM 132 CA ASP A 9 27.538 6.271 2.657 1.00 0.00 C ATOM 133 C ASP A 9 28.317 7.022 1.566 1.00 0.00 C ATOM 134 O ASP A 9 29.446 7.463 1.795 1.00 0.00 O ATOM 135 CB ASP A 9 28.485 5.358 3.444 1.00 0.00 C ATOM 136 CG ASP A 9 29.078 6.045 4.661 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.407 6.071 5.714 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.214 6.555 4.561 1.00 0.00 O ATOM 0 H ASP A 9 26.691 4.521 1.864 1.00 0.00 H new ATOM 0 HA ASP A 9 27.105 7.012 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.944 4.467 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.291 5.026 2.790 1.00 0.00 H new ATOM 143 N GLY A 10 27.711 7.169 0.381 1.00 0.00 N ATOM 144 CA GLY A 10 28.361 7.866 -0.715 1.00 0.00 C ATOM 145 C GLY A 10 29.197 6.949 -1.599 1.00 0.00 C ATOM 146 O GLY A 10 30.038 7.429 -2.362 1.00 0.00 O ATOM 0 H GLY A 10 26.779 6.815 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.603 8.356 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.000 8.651 -0.310 1.00 0.00 H new ATOM 150 N GLY A 11 28.970 5.634 -1.501 1.00 0.00 N ATOM 151 CA GLY A 11 29.721 4.685 -2.308 1.00 0.00 C ATOM 152 C GLY A 11 31.223 4.793 -2.080 1.00 0.00 C ATOM 153 O GLY A 11 31.666 4.797 -0.933 1.00 0.00 O ATOM 0 H GLY A 11 28.281 5.214 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.392 3.672 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.503 4.855 -3.362 1.00 0.00 H new ATOM 157 N PRO A 12 32.038 4.885 -3.155 1.00 0.00 N ATOM 158 CA PRO A 12 33.502 4.999 -3.035 1.00 0.00 C ATOM 159 C PRO A 12 33.945 6.082 -2.044 1.00 0.00 C ATOM 160 O PRO A 12 34.932 5.907 -1.328 1.00 0.00 O ATOM 161 CB PRO A 12 33.945 5.380 -4.453 1.00 0.00 C ATOM 162 CG PRO A 12 32.890 4.830 -5.346 1.00 0.00 C ATOM 163 CD PRO A 12 31.603 4.881 -4.568 1.00 0.00 C ATOM 0 HA PRO A 12 33.940 4.075 -2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 12 34.031 6.461 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.922 4.957 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.813 5.416 -6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.125 3.807 -5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 12 31.025 5.773 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.969 4.022 -4.788 1.00 0.00 H new ATOM 171 N SER A 13 33.214 7.204 -2.018 1.00 0.00 N ATOM 172 CA SER A 13 33.537 8.322 -1.124 1.00 0.00 C ATOM 173 C SER A 13 33.499 7.914 0.354 1.00 0.00 C ATOM 174 O SER A 13 34.186 8.516 1.180 1.00 0.00 O ATOM 175 CB SER A 13 32.579 9.495 -1.368 1.00 0.00 C ATOM 176 OG SER A 13 31.333 9.290 -0.723 1.00 0.00 O ATOM 0 H SER A 13 32.395 7.361 -2.606 1.00 0.00 H new ATOM 0 HA SER A 13 34.557 8.631 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 13 33.031 10.417 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.420 9.619 -2.439 1.00 0.00 H new ATOM 0 HG SER A 13 30.777 8.694 -1.267 1.00 0.00 H new ATOM 182 N SER A 14 32.697 6.895 0.680 1.00 0.00 N ATOM 183 CA SER A 14 32.570 6.413 2.055 1.00 0.00 C ATOM 184 C SER A 14 33.935 6.154 2.700 1.00 0.00 C ATOM 185 O SER A 14 34.114 6.382 3.898 1.00 0.00 O ATOM 186 CB SER A 14 31.732 5.131 2.083 1.00 0.00 C ATOM 187 OG SER A 14 32.431 4.045 1.497 1.00 0.00 O ATOM 0 H SER A 14 32.125 6.388 0.005 1.00 0.00 H new ATOM 0 HA SER A 14 32.073 7.193 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.473 4.886 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.796 5.294 1.549 1.00 0.00 H new ATOM 0 HG SER A 14 32.252 4.022 0.534 1.00 0.00 H new ATOM 193 N GLY A 15 34.890 5.672 1.901 1.00 0.00 N ATOM 194 CA GLY A 15 36.221 5.384 2.413 1.00 0.00 C ATOM 195 C GLY A 15 36.395 3.924 2.804 1.00 0.00 C ATOM 196 O GLY A 15 37.244 3.599 3.635 1.00 0.00 O ATOM 0 H GLY A 15 34.764 5.476 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.961 5.644 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.417 6.014 3.281 1.00 0.00 H new ATOM 200 N ARG A 16 35.588 3.044 2.205 1.00 0.00 N ATOM 201 CA ARG A 16 35.655 1.614 2.495 1.00 0.00 C ATOM 202 C ARG A 16 35.471 0.792 1.217 1.00 0.00 C ATOM 203 O ARG A 16 34.906 1.278 0.235 1.00 0.00 O ATOM 204 CB ARG A 16 34.593 1.215 3.534 1.00 0.00 C ATOM 205 CG ARG A 16 33.400 2.162 3.614 1.00 0.00 C ATOM 206 CD ARG A 16 33.041 2.493 5.055 1.00 0.00 C ATOM 207 NE ARG A 16 31.643 2.176 5.359 1.00 0.00 N ATOM 208 CZ ARG A 16 31.227 0.998 5.838 1.00 0.00 C ATOM 209 NH1 ARG A 16 32.094 0.013 6.066 1.00 0.00 N ATOM 210 NH2 ARG A 16 29.936 0.804 6.089 1.00 0.00 N ATOM 0 H ARG A 16 34.881 3.300 1.516 1.00 0.00 H new ATOM 0 HA ARG A 16 36.642 1.404 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.231 0.214 3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 16 35.065 1.161 4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.628 3.082 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.541 1.708 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 16 33.693 1.937 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 16 33.221 3.552 5.239 1.00 0.00 H new ATOM 0 HE ARG A 16 30.943 2.899 5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 16 33.086 0.153 5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 16 31.766 -0.881 6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 16 29.265 1.552 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 16 29.617 -0.093 6.454 1.00 0.00 H new ATOM 224 N PRO A 17 35.947 -0.469 1.212 1.00 0.00 N ATOM 225 CA PRO A 17 35.827 -1.354 0.046 1.00 0.00 C ATOM 226 C PRO A 17 34.402 -1.882 -0.141 1.00 0.00 C ATOM 227 O PRO A 17 33.736 -2.234 0.834 1.00 0.00 O ATOM 228 CB PRO A 17 36.783 -2.500 0.382 1.00 0.00 C ATOM 229 CG PRO A 17 36.791 -2.554 1.870 1.00 0.00 C ATOM 230 CD PRO A 17 36.637 -1.132 2.337 1.00 0.00 C ATOM 0 HA PRO A 17 36.061 -0.840 -0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.441 -3.441 -0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.781 -2.313 -0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.978 -3.177 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.720 -2.988 2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 17 36.054 -1.073 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.603 -0.671 2.543 1.00 0.00 H new ATOM 238 N PRO A 18 33.915 -1.942 -1.398 1.00 0.00 N ATOM 239 CA PRO A 18 32.562 -2.431 -1.702 1.00 0.00 C ATOM 240 C PRO A 18 32.380 -3.907 -1.332 1.00 0.00 C ATOM 241 O PRO A 18 32.971 -4.788 -1.961 1.00 0.00 O ATOM 242 CB PRO A 18 32.435 -2.240 -3.224 1.00 0.00 C ATOM 243 CG PRO A 18 33.837 -2.165 -3.722 1.00 0.00 C ATOM 244 CD PRO A 18 34.641 -1.539 -2.617 1.00 0.00 C ATOM 0 HA PRO A 18 31.803 -1.896 -1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.897 -3.070 -3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.882 -1.331 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.217 -3.157 -3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.895 -1.568 -4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.669 -1.903 -2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.687 -0.455 -2.718 1.00 0.00 H new ATOM 252 N PRO A 19 31.557 -4.196 -0.301 1.00 0.00 N ATOM 253 CA PRO A 19 31.294 -5.572 0.154 1.00 0.00 C ATOM 254 C PRO A 19 30.688 -6.451 -0.942 1.00 0.00 C ATOM 255 O PRO A 19 30.321 -5.964 -2.013 1.00 0.00 O ATOM 256 CB PRO A 19 30.281 -5.391 1.297 1.00 0.00 C ATOM 257 CG PRO A 19 30.433 -3.975 1.730 1.00 0.00 C ATOM 258 CD PRO A 19 30.819 -3.206 0.501 1.00 0.00 C ATOM 0 HA PRO A 19 32.215 -6.074 0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.265 -5.593 0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.486 -6.078 2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.503 -3.594 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.196 -3.883 2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.944 -2.830 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.439 -2.343 0.745 1.00 0.00 H new ATOM 266 N SER A 20 30.582 -7.750 -0.658 1.00 0.00 N ATOM 267 CA SER A 20 30.016 -8.708 -1.609 1.00 0.00 C ATOM 268 C SER A 20 28.501 -8.525 -1.739 1.00 0.00 C ATOM 269 O SER A 20 27.919 -7.638 -1.111 1.00 0.00 O ATOM 270 CB SER A 20 30.339 -10.141 -1.171 1.00 0.00 C ATOM 271 OG SER A 20 31.738 -10.351 -1.096 1.00 0.00 O ATOM 0 H SER A 20 30.881 -8.164 0.225 1.00 0.00 H new ATOM 0 HA SER A 20 30.465 -8.523 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 20 29.887 -10.338 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 29.900 -10.847 -1.876 1.00 0.00 H new ATOM 0 HG SER A 20 31.916 -11.272 -0.813 1.00 0.00 H new ATOM 277 N GLY A 21 27.870 -9.369 -2.561 1.00 0.00 N ATOM 278 CA GLY A 21 26.431 -9.287 -2.763 1.00 0.00 C ATOM 279 C GLY A 21 25.647 -9.509 -1.481 1.00 0.00 C ATOM 280 O GLY A 21 25.517 -10.643 -1.016 1.00 0.00 O ATOM 0 H GLY A 21 28.333 -10.108 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.181 -8.308 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 21 26.129 -10.029 -3.502 1.00 0.00 H new TER 284 GLY A 21