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= -0.107 K(o=-0.11,f=-1.1) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -82:sc= 1.14 USER MOD Single : A 14 SER OG : rot -79:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.580 -9.497 -0.127 1.00 0.00 N ATOM 2 CA GLY A -1 24.823 -9.140 1.058 1.00 0.00 C ATOM 3 C GLY A -1 24.178 -7.769 0.938 1.00 0.00 C ATOM 4 O GLY A -1 24.437 -7.033 -0.016 1.00 0.00 O ATOM 0 H2 GLY A -1 26.001 -10.439 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A -1 24.050 -9.889 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.482 -9.154 1.926 1.00 0.00 H new ATOM 8 N ASP A 1 23.336 -7.424 1.913 1.00 0.00 N ATOM 9 CA ASP A 1 22.651 -6.126 1.918 1.00 0.00 C ATOM 10 C ASP A 1 23.599 -4.977 2.295 1.00 0.00 C ATOM 11 O ASP A 1 23.206 -3.810 2.247 1.00 0.00 O ATOM 12 CB ASP A 1 21.453 -6.148 2.878 1.00 0.00 C ATOM 13 CG ASP A 1 20.517 -4.973 2.661 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.798 -4.965 1.640 1.00 0.00 O ATOM 15 OD2 ASP A 1 20.504 -4.060 3.513 1.00 0.00 O ATOM 0 H ASP A 1 23.111 -8.022 2.708 1.00 0.00 H new ATOM 0 HA ASP A 1 22.296 -5.949 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 1 20.901 -7.078 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.814 -6.136 3.906 1.00 0.00 H new ATOM 20 N ALA A 2 24.845 -5.304 2.666 1.00 0.00 N ATOM 21 CA ALA A 2 25.828 -4.287 3.040 1.00 0.00 C ATOM 22 C ALA A 2 26.031 -3.263 1.920 1.00 0.00 C ATOM 23 O ALA A 2 26.279 -2.088 2.190 1.00 0.00 O ATOM 24 CB ALA A 2 27.156 -4.934 3.414 1.00 0.00 C ATOM 0 H ALA A 2 25.192 -6.262 2.714 1.00 0.00 H new ATOM 0 HA ALA A 2 25.438 -3.758 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.873 -4.160 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.008 -5.608 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.539 -5.497 2.563 1.00 0.00 H new ATOM 30 N TYR A 3 25.918 -3.714 0.666 1.00 0.00 N ATOM 31 CA TYR A 3 26.084 -2.833 -0.490 1.00 0.00 C ATOM 32 C TYR A 3 25.057 -1.699 -0.471 1.00 0.00 C ATOM 33 O TYR A 3 25.382 -0.557 -0.802 1.00 0.00 O ATOM 34 CB TYR A 3 25.963 -3.627 -1.794 1.00 0.00 C ATOM 35 CG TYR A 3 26.385 -2.845 -3.020 1.00 0.00 C ATOM 36 CD1 TYR A 3 27.728 -2.693 -3.344 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.438 -2.258 -3.849 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.114 -1.978 -4.461 1.00 0.00 C ATOM 39 CE2 TYR A 3 25.817 -1.541 -4.967 1.00 0.00 C ATOM 40 CZ TYR A 3 27.155 -1.404 -5.269 1.00 0.00 C ATOM 41 OH TYR A 3 27.535 -0.690 -6.382 1.00 0.00 O ATOM 0 H TYR A 3 25.712 -4.684 0.428 1.00 0.00 H new ATOM 0 HA TYR A 3 27.081 -2.395 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.573 -4.527 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.930 -3.951 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.481 -3.141 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.389 -2.364 -3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.161 -1.869 -4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.069 -1.090 -5.602 1.00 0.00 H new ATOM 0 HH TYR A 3 26.738 -0.353 -6.842 1.00 0.00 H new ATOM 51 N ALA A 4 23.822 -2.018 -0.072 1.00 0.00 N ATOM 52 CA ALA A 4 22.756 -1.019 0.002 1.00 0.00 C ATOM 53 C ALA A 4 23.149 0.119 0.941 1.00 0.00 C ATOM 54 O ALA A 4 22.944 1.294 0.627 1.00 0.00 O ATOM 55 CB ALA A 4 21.454 -1.663 0.459 1.00 0.00 C ATOM 0 H ALA A 4 23.538 -2.958 0.204 1.00 0.00 H new ATOM 0 HA ALA A 4 22.605 -0.604 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.671 -0.906 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.164 -2.439 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.594 -2.106 1.445 1.00 0.00 H new ATOM 61 N GLN A 5 23.730 -0.238 2.089 1.00 0.00 N ATOM 62 CA GLN A 5 24.172 0.748 3.072 1.00 0.00 C ATOM 63 C GLN A 5 25.457 1.438 2.611 1.00 0.00 C ATOM 64 O GLN A 5 25.675 2.615 2.903 1.00 0.00 O ATOM 65 CB GLN A 5 24.393 0.086 4.437 1.00 0.00 C ATOM 66 CG GLN A 5 23.110 -0.402 5.093 1.00 0.00 C ATOM 67 CD GLN A 5 22.276 0.729 5.667 1.00 0.00 C ATOM 68 OE1 GLN A 5 21.661 1.498 4.927 1.00 0.00 O ATOM 69 NE2 GLN A 5 22.250 0.838 6.991 1.00 0.00 N ATOM 0 H GLN A 5 23.905 -1.206 2.359 1.00 0.00 H new ATOM 0 HA GLN A 5 23.390 1.501 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.073 -0.757 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 5 24.883 0.798 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 5 22.517 -0.948 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 5 23.358 -1.104 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.774 0.180 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.706 1.580 7.431 1.00 0.00 H new ATOM 78 N TRP A 6 26.298 0.699 1.880 1.00 0.00 N ATOM 79 CA TRP A 6 27.557 1.235 1.363 1.00 0.00 C ATOM 80 C TRP A 6 27.298 2.453 0.476 1.00 0.00 C ATOM 81 O TRP A 6 27.953 3.486 0.624 1.00 0.00 O ATOM 82 CB TRP A 6 28.312 0.154 0.579 1.00 0.00 C ATOM 83 CG TRP A 6 29.597 0.635 -0.024 1.00 0.00 C ATOM 84 CD1 TRP A 6 30.734 0.990 0.642 1.00 0.00 C ATOM 85 CD2 TRP A 6 29.876 0.814 -1.417 1.00 0.00 C ATOM 86 NE1 TRP A 6 31.699 1.383 -0.251 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.199 1.283 -1.521 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.136 0.625 -2.586 1.00 0.00 C ATOM 89 CZ2 TRP A 6 31.794 1.563 -2.748 1.00 0.00 C ATOM 90 CZ3 TRP A 6 29.730 0.904 -3.803 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.048 1.368 -3.872 1.00 0.00 C ATOM 0 H TRP A 6 26.127 -0.276 1.633 1.00 0.00 H new ATOM 0 HA TRP A 6 28.172 1.549 2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.524 -0.683 1.244 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.667 -0.224 -0.215 1.00 0.00 H new ATOM 0 HD1 TRP A 6 30.856 0.965 1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.638 1.699 -0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.118 0.267 -2.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 32.811 1.922 -2.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.168 0.762 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.484 1.576 -4.838 1.00 0.00 H new ATOM 102 N LEU A 7 26.329 2.327 -0.434 1.00 0.00 N ATOM 103 CA LEU A 7 25.968 3.421 -1.335 1.00 0.00 C ATOM 104 C LEU A 7 25.419 4.609 -0.543 1.00 0.00 C ATOM 105 O LEU A 7 25.722 5.763 -0.850 1.00 0.00 O ATOM 106 CB LEU A 7 24.926 2.954 -2.357 1.00 0.00 C ATOM 107 CG LEU A 7 25.412 1.898 -3.357 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.251 1.389 -4.198 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.512 2.457 -4.252 1.00 0.00 C ATOM 0 H LEU A 7 25.781 1.477 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 7 26.867 3.735 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.068 2.552 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.574 3.822 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 7 25.827 1.063 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.613 0.640 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.499 0.942 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.808 2.220 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.838 1.687 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.129 3.313 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.356 2.771 -3.638 1.00 0.00 H new ATOM 121 N ALA A 8 24.617 4.312 0.485 1.00 0.00 N ATOM 122 CA ALA A 8 24.029 5.347 1.336 1.00 0.00 C ATOM 123 C ALA A 8 25.103 6.108 2.119 1.00 0.00 C ATOM 124 O ALA A 8 24.919 7.280 2.452 1.00 0.00 O ATOM 125 CB ALA A 8 23.017 4.735 2.291 1.00 0.00 C ATOM 0 H ALA A 8 24.361 3.360 0.747 1.00 0.00 H new ATOM 0 HA ALA A 8 23.520 6.060 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.588 5.517 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.224 4.252 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.512 3.996 2.921 1.00 0.00 H new ATOM 131 N ASP A 9 26.222 5.436 2.405 1.00 0.00 N ATOM 132 CA ASP A 9 27.324 6.050 3.144 1.00 0.00 C ATOM 133 C ASP A 9 28.226 6.899 2.233 1.00 0.00 C ATOM 134 O ASP A 9 29.250 7.419 2.684 1.00 0.00 O ATOM 135 CB ASP A 9 28.153 4.967 3.844 1.00 0.00 C ATOM 136 CG ASP A 9 28.859 5.483 5.082 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.183 5.686 6.112 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.091 5.685 5.022 1.00 0.00 O ATOM 0 H ASP A 9 26.387 4.466 2.135 1.00 0.00 H new ATOM 0 HA ASP A 9 26.890 6.717 3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.502 4.138 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 9 28.892 4.573 3.147 1.00 0.00 H new ATOM 143 N GLY A 10 27.845 7.045 0.958 1.00 0.00 N ATOM 144 CA GLY A 10 28.635 7.836 0.026 1.00 0.00 C ATOM 145 C GLY A 10 29.319 7.005 -1.051 1.00 0.00 C ATOM 146 O GLY A 10 30.016 7.558 -1.904 1.00 0.00 O ATOM 0 H GLY A 10 27.004 6.629 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.989 8.573 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.392 8.389 0.582 1.00 0.00 H new ATOM 150 N GLY A 11 29.129 5.681 -1.019 1.00 0.00 N ATOM 151 CA GLY A 11 29.750 4.817 -2.010 1.00 0.00 C ATOM 152 C GLY A 11 31.268 4.911 -1.985 1.00 0.00 C ATOM 153 O GLY A 11 31.864 4.933 -0.909 1.00 0.00 O ATOM 0 H GLY A 11 28.558 5.197 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.449 3.785 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.387 5.086 -3.002 1.00 0.00 H new ATOM 157 N PRO A 12 31.930 4.969 -3.162 1.00 0.00 N ATOM 158 CA PRO A 12 33.396 5.066 -3.249 1.00 0.00 C ATOM 159 C PRO A 12 33.976 6.183 -2.373 1.00 0.00 C ATOM 160 O PRO A 12 35.060 6.033 -1.806 1.00 0.00 O ATOM 161 CB PRO A 12 33.644 5.381 -4.730 1.00 0.00 C ATOM 162 CG PRO A 12 32.468 4.815 -5.442 1.00 0.00 C ATOM 163 CD PRO A 12 31.301 4.941 -4.500 1.00 0.00 C ATOM 0 HA PRO A 12 33.876 4.153 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 12 33.728 6.455 -4.897 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.573 4.930 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.279 5.355 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 12 32.641 3.773 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.728 5.848 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.613 4.102 -4.601 1.00 0.00 H new ATOM 171 N SER A 13 33.252 7.305 -2.276 1.00 0.00 N ATOM 172 CA SER A 13 33.699 8.452 -1.477 1.00 0.00 C ATOM 173 C SER A 13 33.881 8.088 0.001 1.00 0.00 C ATOM 174 O SER A 13 34.753 8.643 0.673 1.00 0.00 O ATOM 175 CB SER A 13 32.706 9.615 -1.612 1.00 0.00 C ATOM 176 OG SER A 13 31.594 9.452 -0.747 1.00 0.00 O ATOM 0 H SER A 13 32.355 7.443 -2.741 1.00 0.00 H new ATOM 0 HA SER A 13 34.671 8.757 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 13 33.211 10.554 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.359 9.681 -2.643 1.00 0.00 H new ATOM 0 HG SER A 13 30.942 8.850 -1.163 1.00 0.00 H new ATOM 182 N SER A 14 33.057 7.161 0.500 1.00 0.00 N ATOM 183 CA SER A 14 33.131 6.731 1.898 1.00 0.00 C ATOM 184 C SER A 14 34.542 6.263 2.274 1.00 0.00 C ATOM 185 O SER A 14 34.977 6.446 3.412 1.00 0.00 O ATOM 186 CB SER A 14 32.121 5.608 2.161 1.00 0.00 C ATOM 187 OG SER A 14 32.572 4.369 1.642 1.00 0.00 O ATOM 0 H SER A 14 32.331 6.695 -0.044 1.00 0.00 H new ATOM 0 HA SER A 14 32.887 7.592 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.952 5.514 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 14 31.163 5.866 1.709 1.00 0.00 H new ATOM 0 HG SER A 14 32.409 4.340 0.676 1.00 0.00 H new ATOM 193 N GLY A 15 35.246 5.656 1.315 1.00 0.00 N ATOM 194 CA GLY A 15 36.593 5.170 1.569 1.00 0.00 C ATOM 195 C GLY A 15 36.611 3.756 2.130 1.00 0.00 C ATOM 196 O GLY A 15 37.566 3.366 2.804 1.00 0.00 O ATOM 0 H GLY A 15 34.905 5.493 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.165 5.196 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.091 5.841 2.269 1.00 0.00 H new ATOM 200 N ARG A 16 35.552 2.989 1.856 1.00 0.00 N ATOM 201 CA ARG A 16 35.449 1.615 2.338 1.00 0.00 C ATOM 202 C ARG A 16 35.174 0.657 1.172 1.00 0.00 C ATOM 203 O ARG A 16 34.235 0.879 0.409 1.00 0.00 O ATOM 204 CB ARG A 16 34.324 1.512 3.375 1.00 0.00 C ATOM 205 CG ARG A 16 34.055 0.092 3.853 1.00 0.00 C ATOM 206 CD ARG A 16 33.728 0.056 5.339 1.00 0.00 C ATOM 207 NE ARG A 16 32.507 0.799 5.657 1.00 0.00 N ATOM 208 CZ ARG A 16 32.201 1.251 6.877 1.00 0.00 C ATOM 209 NH1 ARG A 16 33.018 1.032 7.906 1.00 0.00 N ATOM 210 NH2 ARG A 16 31.071 1.923 7.071 1.00 0.00 N ATOM 0 H ARG A 16 34.754 3.300 1.302 1.00 0.00 H new ATOM 0 HA ARG A 16 36.394 1.335 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.577 2.133 4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 16 33.409 1.920 2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.226 -0.333 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 16 34.928 -0.531 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 16 33.614 -0.980 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 16 34.562 0.474 5.903 1.00 0.00 H new ATOM 0 HE ARG A 16 31.849 0.983 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 16 33.886 0.515 7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 16 32.775 1.381 8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 16 30.438 2.093 6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.836 2.268 8.002 1.00 0.00 H new ATOM 224 N PRO A 17 35.979 -0.424 1.006 1.00 0.00 N ATOM 225 CA PRO A 17 35.773 -1.388 -0.086 1.00 0.00 C ATOM 226 C PRO A 17 34.313 -1.842 -0.194 1.00 0.00 C ATOM 227 O PRO A 17 33.676 -2.136 0.819 1.00 0.00 O ATOM 228 CB PRO A 17 36.662 -2.567 0.308 1.00 0.00 C ATOM 229 CG PRO A 17 37.746 -1.970 1.134 1.00 0.00 C ATOM 230 CD PRO A 17 37.139 -0.793 1.850 1.00 0.00 C ATOM 0 HA PRO A 17 36.014 -0.957 -1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.102 -3.313 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.066 -3.068 -0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 17 38.137 -2.697 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 17 38.581 -1.655 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 17 36.830 -1.056 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.848 0.031 1.938 1.00 0.00 H new ATOM 238 N PRO A 18 33.762 -1.906 -1.425 1.00 0.00 N ATOM 239 CA PRO A 18 32.372 -2.326 -1.646 1.00 0.00 C ATOM 240 C PRO A 18 32.128 -3.767 -1.193 1.00 0.00 C ATOM 241 O PRO A 18 32.816 -4.689 -1.638 1.00 0.00 O ATOM 242 CB PRO A 18 32.184 -2.203 -3.169 1.00 0.00 C ATOM 243 CG PRO A 18 33.565 -2.208 -3.731 1.00 0.00 C ATOM 244 CD PRO A 18 34.443 -1.573 -2.689 1.00 0.00 C ATOM 0 HA PRO A 18 31.671 -1.719 -1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.595 -3.032 -3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.656 -1.286 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 18 33.893 -3.224 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.607 -1.651 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.456 -1.974 -2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.522 -0.495 -2.832 1.00 0.00 H new ATOM 252 N PRO A 19 31.144 -3.978 -0.293 1.00 0.00 N ATOM 253 CA PRO A 19 30.806 -5.312 0.229 1.00 0.00 C ATOM 254 C PRO A 19 30.662 -6.361 -0.874 1.00 0.00 C ATOM 255 O PRO A 19 30.107 -6.083 -1.940 1.00 0.00 O ATOM 256 CB PRO A 19 29.461 -5.083 0.922 1.00 0.00 C ATOM 257 CG PRO A 19 29.500 -3.658 1.348 1.00 0.00 C ATOM 258 CD PRO A 19 30.286 -2.929 0.292 1.00 0.00 C ATOM 0 HA PRO A 19 31.587 -5.700 0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.628 -5.272 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.336 -5.749 1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.493 -3.250 1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.972 -3.556 2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.632 -2.483 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.878 -2.120 0.720 1.00 0.00 H new ATOM 266 N SER A 20 31.167 -7.565 -0.607 1.00 0.00 N ATOM 267 CA SER A 20 31.099 -8.661 -1.572 1.00 0.00 C ATOM 268 C SER A 20 29.953 -9.617 -1.231 1.00 0.00 C ATOM 269 O SER A 20 30.166 -10.659 -0.605 1.00 0.00 O ATOM 270 CB SER A 20 32.431 -9.419 -1.605 1.00 0.00 C ATOM 271 OG SER A 20 33.399 -8.716 -2.363 1.00 0.00 O ATOM 0 H SER A 20 31.628 -7.806 0.270 1.00 0.00 H new ATOM 0 HA SER A 20 30.908 -8.238 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.796 -9.564 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.279 -10.410 -2.033 1.00 0.00 H new ATOM 0 HG SER A 20 34.240 -9.219 -2.367 1.00 0.00 H new ATOM 277 N GLY A 21 28.736 -9.252 -1.643 1.00 0.00 N ATOM 278 CA GLY A 21 27.575 -10.084 -1.370 1.00 0.00 C ATOM 279 C GLY A 21 26.893 -9.720 -0.065 1.00 0.00 C ATOM 280 O GLY A 21 27.544 -9.640 0.979 1.00 0.00 O ATOM 0 H GLY A 21 28.536 -8.396 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.862 -9.986 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.881 -11.130 -1.337 1.00 0.00 H new TER 284 GLY A 21