USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=4 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 NoAdj-H: A -1 GLY H3 : 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= -0.0113 X(o=-0.011,f=0) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -66:sc= 0.372 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.679 -8.854 -0.726 1.00 0.00 N ATOM 2 CA GLY A -1 24.965 -8.815 0.537 1.00 0.00 C ATOM 3 C GLY A -1 24.245 -7.494 0.759 1.00 0.00 C ATOM 4 O GLY A -1 24.406 -6.552 -0.021 1.00 0.00 O ATOM 0 H2 GLY A -1 26.152 -9.774 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A -1 24.241 -9.629 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.668 -8.984 1.353 1.00 0.00 H new ATOM 8 N ASP A 1 23.454 -7.427 1.830 1.00 0.00 N ATOM 9 CA ASP A 1 22.703 -6.214 2.165 1.00 0.00 C ATOM 10 C ASP A 1 23.635 -5.049 2.524 1.00 0.00 C ATOM 11 O ASP A 1 23.229 -3.887 2.453 1.00 0.00 O ATOM 12 CB ASP A 1 21.745 -6.486 3.330 1.00 0.00 C ATOM 13 CG ASP A 1 20.620 -7.428 2.945 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.591 -6.945 2.429 1.00 0.00 O ATOM 15 OD2 ASP A 1 20.769 -8.650 3.161 1.00 0.00 O ATOM 0 H ASP A 1 23.316 -8.199 2.482 1.00 0.00 H new ATOM 0 HA ASP A 1 22.132 -5.930 1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 1 22.303 -6.912 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.323 -5.543 3.678 1.00 0.00 H new ATOM 20 N ALA A 2 24.879 -5.364 2.905 1.00 0.00 N ATOM 21 CA ALA A 2 25.859 -4.337 3.268 1.00 0.00 C ATOM 22 C ALA A 2 26.056 -3.322 2.141 1.00 0.00 C ATOM 23 O ALA A 2 26.317 -2.145 2.401 1.00 0.00 O ATOM 24 CB ALA A 2 27.192 -4.978 3.642 1.00 0.00 C ATOM 0 H ALA A 2 25.229 -6.320 2.969 1.00 0.00 H new ATOM 0 HA ALA A 2 25.468 -3.802 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.908 -4.200 3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.049 -5.646 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.573 -5.546 2.794 1.00 0.00 H new ATOM 30 N TYR A 3 25.927 -3.780 0.890 1.00 0.00 N ATOM 31 CA TYR A 3 26.089 -2.905 -0.271 1.00 0.00 C ATOM 32 C TYR A 3 25.100 -1.739 -0.233 1.00 0.00 C ATOM 33 O TYR A 3 25.443 -0.619 -0.615 1.00 0.00 O ATOM 34 CB TYR A 3 25.917 -3.696 -1.571 1.00 0.00 C ATOM 35 CG TYR A 3 26.387 -2.946 -2.797 1.00 0.00 C ATOM 36 CD1 TYR A 3 27.741 -2.745 -3.038 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.476 -2.431 -3.712 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.173 -2.054 -4.153 1.00 0.00 C ATOM 39 CE2 TYR A 3 25.900 -1.741 -4.830 1.00 0.00 C ATOM 40 CZ TYR A 3 27.249 -1.555 -5.047 1.00 0.00 C ATOM 41 OH TYR A 3 27.675 -0.864 -6.158 1.00 0.00 O ATOM 0 H TYR A 3 25.711 -4.750 0.659 1.00 0.00 H new ATOM 0 HA TYR A 3 27.099 -2.496 -0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.469 -4.633 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.865 -3.955 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.468 -3.136 -2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.418 -2.573 -3.545 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.229 -1.905 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.179 -1.349 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 3 26.899 -0.581 -6.685 1.00 0.00 H new ATOM 51 N ALA A 4 23.878 -2.005 0.239 1.00 0.00 N ATOM 52 CA ALA A 4 22.852 -0.968 0.335 1.00 0.00 C ATOM 53 C ALA A 4 23.329 0.182 1.222 1.00 0.00 C ATOM 54 O ALA A 4 23.174 1.353 0.870 1.00 0.00 O ATOM 55 CB ALA A 4 21.551 -1.552 0.872 1.00 0.00 C ATOM 0 H ALA A 4 23.578 -2.926 0.559 1.00 0.00 H new ATOM 0 HA ALA A 4 22.667 -0.576 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.799 -0.766 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.200 -2.336 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.723 -1.972 1.863 1.00 0.00 H new ATOM 61 N GLN A 5 23.926 -0.166 2.366 1.00 0.00 N ATOM 62 CA GLN A 5 24.446 0.831 3.300 1.00 0.00 C ATOM 63 C GLN A 5 25.716 1.479 2.748 1.00 0.00 C ATOM 64 O GLN A 5 25.965 2.665 2.978 1.00 0.00 O ATOM 65 CB GLN A 5 24.733 0.194 4.664 1.00 0.00 C ATOM 66 CG GLN A 5 23.607 0.379 5.670 1.00 0.00 C ATOM 67 CD GLN A 5 23.682 1.711 6.393 1.00 0.00 C ATOM 68 OE1 GLN A 5 24.292 1.818 7.458 1.00 0.00 O ATOM 69 NE2 GLN A 5 23.060 2.738 5.820 1.00 0.00 N ATOM 0 H GLN A 5 24.060 -1.132 2.666 1.00 0.00 H new ATOM 0 HA GLN A 5 23.687 1.603 3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 5 24.915 -0.872 4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.648 0.624 5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 5 22.649 0.303 5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 5 23.641 -0.429 6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.566 2.607 4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 5 23.077 3.656 6.263 1.00 0.00 H new ATOM 78 N TRP A 6 26.507 0.693 2.011 1.00 0.00 N ATOM 79 CA TRP A 6 27.746 1.184 1.410 1.00 0.00 C ATOM 80 C TRP A 6 27.461 2.359 0.475 1.00 0.00 C ATOM 81 O TRP A 6 28.139 3.386 0.535 1.00 0.00 O ATOM 82 CB TRP A 6 28.449 0.057 0.648 1.00 0.00 C ATOM 83 CG TRP A 6 29.792 0.450 0.111 1.00 0.00 C ATOM 84 CD1 TRP A 6 30.927 0.686 0.831 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.139 0.652 -1.263 1.00 0.00 C ATOM 86 NE1 TRP A 6 31.955 1.029 -0.010 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.497 1.013 -1.300 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.432 0.566 -2.465 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.163 1.285 -2.493 1.00 0.00 C ATOM 90 CZ3 TRP A 6 30.096 0.836 -3.647 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.450 1.190 -3.651 1.00 0.00 C ATOM 0 H TRP A 6 26.308 -0.289 1.817 1.00 0.00 H new ATOM 0 HA TRP A 6 28.403 1.530 2.208 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.567 -0.801 1.310 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.815 -0.264 -0.179 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.005 0.613 1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.906 1.259 0.279 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.387 0.294 -2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.207 1.561 -2.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.561 0.773 -4.583 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.941 1.392 -4.592 1.00 0.00 H new ATOM 102 N LEU A 7 26.442 2.206 -0.374 1.00 0.00 N ATOM 103 CA LEU A 7 26.052 3.259 -1.309 1.00 0.00 C ATOM 104 C LEU A 7 25.474 4.458 -0.558 1.00 0.00 C ATOM 105 O LEU A 7 25.682 5.605 -0.954 1.00 0.00 O ATOM 106 CB LEU A 7 25.022 2.732 -2.314 1.00 0.00 C ATOM 107 CG LEU A 7 25.552 1.712 -3.329 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.406 1.143 -4.152 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.602 2.341 -4.241 1.00 0.00 C ATOM 0 H LEU A 7 25.873 1.362 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 7 26.943 3.577 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.201 2.275 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.606 3.579 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 7 26.027 0.900 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.796 0.420 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.693 0.650 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.906 1.951 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.961 1.596 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.159 3.176 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.437 2.701 -3.640 1.00 0.00 H new ATOM 121 N ALA A 8 24.754 4.181 0.536 1.00 0.00 N ATOM 122 CA ALA A 8 24.154 5.233 1.355 1.00 0.00 C ATOM 123 C ALA A 8 25.223 6.134 1.977 1.00 0.00 C ATOM 124 O ALA A 8 24.977 7.317 2.225 1.00 0.00 O ATOM 125 CB ALA A 8 23.277 4.626 2.439 1.00 0.00 C ATOM 0 H ALA A 8 24.575 3.235 0.872 1.00 0.00 H new ATOM 0 HA ALA A 8 23.534 5.850 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.838 5.422 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.483 4.039 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.881 3.981 3.077 1.00 0.00 H new ATOM 131 N ASP A 9 26.413 5.572 2.216 1.00 0.00 N ATOM 132 CA ASP A 9 27.521 6.329 2.798 1.00 0.00 C ATOM 133 C ASP A 9 28.294 7.113 1.726 1.00 0.00 C ATOM 134 O ASP A 9 29.321 7.728 2.022 1.00 0.00 O ATOM 135 CB ASP A 9 28.472 5.388 3.547 1.00 0.00 C ATOM 136 CG ASP A 9 29.037 6.018 4.805 1.00 0.00 C ATOM 137 OD1 ASP A 9 30.075 6.707 4.710 1.00 0.00 O ATOM 138 OD2 ASP A 9 28.441 5.824 5.886 1.00 0.00 O ATOM 0 H ASP A 9 26.631 4.596 2.015 1.00 0.00 H new ATOM 0 HA ASP A 9 27.098 7.047 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.941 4.473 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.291 5.103 2.887 1.00 0.00 H new ATOM 143 N GLY A 10 27.796 7.092 0.484 1.00 0.00 N ATOM 144 CA GLY A 10 28.448 7.803 -0.602 1.00 0.00 C ATOM 145 C GLY A 10 29.296 6.902 -1.486 1.00 0.00 C ATOM 146 O GLY A 10 30.155 7.390 -2.221 1.00 0.00 O ATOM 0 H GLY A 10 26.949 6.591 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.690 8.292 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.078 8.589 -0.186 1.00 0.00 H new ATOM 150 N GLY A 11 29.054 5.586 -1.422 1.00 0.00 N ATOM 151 CA GLY A 11 29.814 4.648 -2.232 1.00 0.00 C ATOM 152 C GLY A 11 31.316 4.787 -2.027 1.00 0.00 C ATOM 153 O GLY A 11 31.769 4.894 -0.888 1.00 0.00 O ATOM 0 H GLY A 11 28.346 5.159 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.509 3.631 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.578 4.806 -3.284 1.00 0.00 H new ATOM 157 N PRO A 12 32.121 4.797 -3.114 1.00 0.00 N ATOM 158 CA PRO A 12 33.583 4.937 -3.016 1.00 0.00 C ATOM 159 C PRO A 12 34.013 6.111 -2.129 1.00 0.00 C ATOM 160 O PRO A 12 35.028 6.032 -1.435 1.00 0.00 O ATOM 161 CB PRO A 12 34.013 5.193 -4.466 1.00 0.00 C ATOM 162 CG PRO A 12 32.955 4.554 -5.296 1.00 0.00 C ATOM 163 CD PRO A 12 31.673 4.675 -4.518 1.00 0.00 C ATOM 0 HA PRO A 12 34.037 4.057 -2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 12 34.088 6.260 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.992 4.759 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.870 5.048 -6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.193 3.508 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 12 31.096 5.545 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 12 31.035 3.802 -4.660 1.00 0.00 H new ATOM 171 N SER A 13 33.235 7.198 -2.165 1.00 0.00 N ATOM 172 CA SER A 13 33.530 8.395 -1.373 1.00 0.00 C ATOM 173 C SER A 13 33.600 8.085 0.126 1.00 0.00 C ATOM 174 O SER A 13 34.402 8.683 0.845 1.00 0.00 O ATOM 175 CB SER A 13 32.478 9.477 -1.630 1.00 0.00 C ATOM 176 OG SER A 13 32.902 10.732 -1.126 1.00 0.00 O ATOM 0 H SER A 13 32.393 7.273 -2.737 1.00 0.00 H new ATOM 0 HA SER A 13 34.509 8.758 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 13 32.288 9.557 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 13 31.537 9.192 -1.160 1.00 0.00 H new ATOM 0 HG SER A 13 32.213 11.406 -1.304 1.00 0.00 H new ATOM 182 N SER A 14 32.757 7.155 0.589 1.00 0.00 N ATOM 183 CA SER A 14 32.721 6.770 2.000 1.00 0.00 C ATOM 184 C SER A 14 34.118 6.428 2.532 1.00 0.00 C ATOM 185 O SER A 14 34.464 6.790 3.657 1.00 0.00 O ATOM 186 CB SER A 14 31.779 5.579 2.195 1.00 0.00 C ATOM 187 OG SER A 14 32.329 4.389 1.657 1.00 0.00 O ATOM 0 H SER A 14 32.089 6.655 0.003 1.00 0.00 H new ATOM 0 HA SER A 14 32.350 7.624 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.580 5.441 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.822 5.788 1.716 1.00 0.00 H new ATOM 0 HG SER A 14 32.389 4.468 0.682 1.00 0.00 H new ATOM 193 N GLY A 15 34.914 5.734 1.713 1.00 0.00 N ATOM 194 CA GLY A 15 36.262 5.361 2.116 1.00 0.00 C ATOM 195 C GLY A 15 36.383 3.900 2.527 1.00 0.00 C ATOM 196 O GLY A 15 37.368 3.517 3.160 1.00 0.00 O ATOM 0 H GLY A 15 34.647 5.425 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.948 5.558 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.573 5.993 2.948 1.00 0.00 H new ATOM 200 N ARG A 16 35.388 3.083 2.167 1.00 0.00 N ATOM 201 CA ARG A 16 35.401 1.661 2.505 1.00 0.00 C ATOM 202 C ARG A 16 35.217 0.804 1.251 1.00 0.00 C ATOM 203 O ARG A 16 34.661 1.266 0.254 1.00 0.00 O ATOM 204 CB ARG A 16 34.307 1.330 3.533 1.00 0.00 C ATOM 205 CG ARG A 16 33.108 2.271 3.502 1.00 0.00 C ATOM 206 CD ARG A 16 32.314 2.214 4.800 1.00 0.00 C ATOM 207 NE ARG A 16 30.878 2.035 4.563 1.00 0.00 N ATOM 208 CZ ARG A 16 30.262 0.849 4.542 1.00 0.00 C ATOM 209 NH1 ARG A 16 30.950 -0.279 4.704 1.00 0.00 N ATOM 210 NH2 ARG A 16 28.947 0.789 4.350 1.00 0.00 N ATOM 0 H ARG A 16 34.566 3.384 1.643 1.00 0.00 H new ATOM 0 HA ARG A 16 36.371 1.433 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 16 33.959 0.312 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 16 34.745 1.352 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.450 3.291 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.459 2.007 2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 16 32.684 1.394 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 16 32.476 3.133 5.364 1.00 0.00 H new ATOM 0 HE ARG A 16 30.313 2.869 4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 16 31.959 -0.245 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 16 30.468 -1.178 4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 16 28.411 1.647 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 16 28.475 -0.115 4.334 1.00 0.00 H new ATOM 224 N PRO A 17 35.686 -0.460 1.285 1.00 0.00 N ATOM 225 CA PRO A 17 35.567 -1.377 0.145 1.00 0.00 C ATOM 226 C PRO A 17 34.138 -1.895 -0.033 1.00 0.00 C ATOM 227 O PRO A 17 33.458 -2.205 0.948 1.00 0.00 O ATOM 228 CB PRO A 17 36.509 -2.522 0.522 1.00 0.00 C ATOM 229 CG PRO A 17 36.501 -2.533 2.011 1.00 0.00 C ATOM 230 CD PRO A 17 36.369 -1.095 2.433 1.00 0.00 C ATOM 0 HA PRO A 17 35.814 -0.895 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.162 -3.472 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.513 -2.356 0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.673 -3.130 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.418 -2.973 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.788 -0.997 3.350 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.342 -0.641 2.622 1.00 0.00 H new ATOM 238 N PRO A 18 33.661 -1.998 -1.291 1.00 0.00 N ATOM 239 CA PRO A 18 32.307 -2.482 -1.584 1.00 0.00 C ATOM 240 C PRO A 18 32.118 -3.947 -1.187 1.00 0.00 C ATOM 241 O PRO A 18 32.832 -4.825 -1.677 1.00 0.00 O ATOM 242 CB PRO A 18 32.181 -2.321 -3.109 1.00 0.00 C ATOM 243 CG PRO A 18 33.584 -2.289 -3.607 1.00 0.00 C ATOM 244 CD PRO A 18 34.400 -1.650 -2.518 1.00 0.00 C ATOM 0 HA PRO A 18 31.552 -1.931 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.624 -3.148 -3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.649 -1.405 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 18 33.943 -3.295 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.656 -1.719 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.418 -2.038 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.473 -0.571 -2.651 1.00 0.00 H new ATOM 252 N PRO A 19 31.151 -4.227 -0.287 1.00 0.00 N ATOM 253 CA PRO A 19 30.862 -5.589 0.183 1.00 0.00 C ATOM 254 C PRO A 19 30.756 -6.598 -0.963 1.00 0.00 C ATOM 255 O PRO A 19 30.283 -6.265 -2.052 1.00 0.00 O ATOM 256 CB PRO A 19 29.509 -5.434 0.883 1.00 0.00 C ATOM 257 CG PRO A 19 29.503 -4.028 1.369 1.00 0.00 C ATOM 258 CD PRO A 19 30.266 -3.229 0.346 1.00 0.00 C ATOM 0 HA PRO A 19 31.655 -5.976 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.683 -5.621 0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.405 -6.140 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.484 -3.656 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.971 -3.953 2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.598 -2.767 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.837 -2.425 0.810 1.00 0.00 H new ATOM 266 N SER A 20 31.203 -7.828 -0.709 1.00 0.00 N ATOM 267 CA SER A 20 31.163 -8.884 -1.719 1.00 0.00 C ATOM 268 C SER A 20 29.821 -9.617 -1.694 1.00 0.00 C ATOM 269 O SER A 20 29.731 -10.758 -1.234 1.00 0.00 O ATOM 270 CB SER A 20 32.314 -9.871 -1.500 1.00 0.00 C ATOM 271 OG SER A 20 33.560 -9.281 -1.830 1.00 0.00 O ATOM 0 H SER A 20 31.596 -8.117 0.187 1.00 0.00 H new ATOM 0 HA SER A 20 31.277 -8.421 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.326 -10.196 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.156 -10.760 -2.110 1.00 0.00 H new ATOM 0 HG SER A 20 34.279 -9.930 -1.680 1.00 0.00 H new ATOM 277 N GLY A 21 28.779 -8.949 -2.195 1.00 0.00 N ATOM 278 CA GLY A 21 27.453 -9.543 -2.227 1.00 0.00 C ATOM 279 C GLY A 21 26.793 -9.573 -0.861 1.00 0.00 C ATOM 280 O GLY A 21 27.281 -10.238 0.055 1.00 0.00 O ATOM 0 H GLY A 21 28.833 -8.006 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.824 -8.981 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.524 -10.559 -2.615 1.00 0.00 H new TER 284 GLY A 21