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= -0.141 K(o=-0.14,f=-2.9!) 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 -79:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.547 -9.560 -0.033 1.00 0.00 N ATOM 2 CA GLY A -1 24.769 -9.187 1.132 1.00 0.00 C ATOM 3 C GLY A -1 24.130 -7.816 0.989 1.00 0.00 C ATOM 4 O GLY A -1 24.406 -7.092 0.030 1.00 0.00 O ATOM 0 H2 GLY A -1 25.962 -10.502 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.991 -9.932 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.412 -9.195 2.012 1.00 0.00 H new ATOM 8 N ASP A 1 23.278 -7.459 1.950 1.00 0.00 N ATOM 9 CA ASP A 1 22.596 -6.159 1.934 1.00 0.00 C ATOM 10 C ASP A 1 23.546 -5.008 2.296 1.00 0.00 C ATOM 11 O ASP A 1 23.159 -3.840 2.226 1.00 0.00 O ATOM 12 CB ASP A 1 21.394 -6.162 2.889 1.00 0.00 C ATOM 13 CG ASP A 1 20.467 -4.982 2.658 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.755 -4.978 1.630 1.00 0.00 O ATOM 15 OD2 ASP A 1 20.454 -4.063 3.502 1.00 0.00 O ATOM 0 H ASP A 1 23.042 -8.048 2.749 1.00 0.00 H new ATOM 0 HA ASP A 1 22.244 -5.997 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 1 20.835 -7.089 2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.752 -6.143 3.919 1.00 0.00 H new ATOM 20 N ALA A 2 24.789 -5.335 2.680 1.00 0.00 N ATOM 21 CA ALA A 2 25.778 -4.316 3.043 1.00 0.00 C ATOM 22 C ALA A 2 25.974 -3.297 1.918 1.00 0.00 C ATOM 23 O ALA A 2 26.238 -2.123 2.182 1.00 0.00 O ATOM 24 CB ALA A 2 27.109 -4.965 3.405 1.00 0.00 C ATOM 0 H ALA A 2 25.130 -6.294 2.746 1.00 0.00 H new ATOM 0 HA ALA A 2 25.396 -3.784 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.830 -4.192 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 2 26.968 -5.637 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.482 -5.530 2.551 1.00 0.00 H new ATOM 30 N TYR A 3 25.835 -3.749 0.666 1.00 0.00 N ATOM 31 CA TYR A 3 25.990 -2.871 -0.494 1.00 0.00 C ATOM 32 C TYR A 3 24.986 -1.718 -0.449 1.00 0.00 C ATOM 33 O TYR A 3 25.319 -0.586 -0.809 1.00 0.00 O ATOM 34 CB TYR A 3 25.818 -3.664 -1.793 1.00 0.00 C ATOM 35 CG TYR A 3 26.299 -2.924 -3.022 1.00 0.00 C ATOM 36 CD1 TYR A 3 27.649 -2.885 -3.350 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.403 -2.262 -3.853 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.091 -2.207 -4.471 1.00 0.00 C ATOM 39 CE2 TYR A 3 25.837 -1.584 -4.974 1.00 0.00 C ATOM 40 CZ TYR A 3 27.181 -1.559 -5.279 1.00 0.00 C ATOM 41 OH TYR A 3 27.618 -0.882 -6.394 1.00 0.00 O ATOM 0 H TYR A 3 25.616 -4.717 0.433 1.00 0.00 H new ATOM 0 HA TYR A 3 26.996 -2.452 -0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.362 -4.605 -1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.765 -3.915 -1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.364 -3.392 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.349 -2.278 -3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.143 -2.185 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.127 -1.075 -5.609 1.00 0.00 H new ATOM 0 HH TYR A 3 26.851 -0.482 -6.855 1.00 0.00 H new ATOM 51 N ALA A 4 23.763 -2.007 0.005 1.00 0.00 N ATOM 52 CA ALA A 4 22.718 -0.989 0.111 1.00 0.00 C ATOM 53 C ALA A 4 23.178 0.163 1.003 1.00 0.00 C ATOM 54 O ALA A 4 23.004 1.334 0.658 1.00 0.00 O ATOM 55 CB ALA A 4 21.432 -1.601 0.650 1.00 0.00 C ATOM 0 H ALA A 4 23.474 -2.938 0.305 1.00 0.00 H new ATOM 0 HA ALA A 4 22.521 -0.593 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.665 -0.830 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.093 -2.388 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.616 -2.024 1.638 1.00 0.00 H new ATOM 61 N GLN A 5 23.778 -0.181 2.145 1.00 0.00 N ATOM 62 CA GLN A 5 24.282 0.818 3.086 1.00 0.00 C ATOM 63 C GLN A 5 25.570 1.456 2.562 1.00 0.00 C ATOM 64 O GLN A 5 25.834 2.633 2.817 1.00 0.00 O ATOM 65 CB GLN A 5 24.529 0.184 4.458 1.00 0.00 C ATOM 66 CG GLN A 5 23.252 -0.132 5.221 1.00 0.00 C ATOM 67 CD GLN A 5 22.667 1.082 5.922 1.00 0.00 C ATOM 68 OE1 GLN A 5 22.760 2.207 5.427 1.00 0.00 O ATOM 69 NE2 GLN A 5 22.058 0.862 7.083 1.00 0.00 N ATOM 0 H GLN A 5 23.926 -1.146 2.439 1.00 0.00 H new ATOM 0 HA GLN A 5 23.527 1.598 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.101 -0.735 4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.142 0.859 5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 5 22.513 -0.538 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 5 23.458 -0.907 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.003 -0.085 7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.646 1.640 7.598 1.00 0.00 H new ATOM 78 N TRP A 6 26.361 0.674 1.819 1.00 0.00 N ATOM 79 CA TRP A 6 27.616 1.158 1.244 1.00 0.00 C ATOM 80 C TRP A 6 27.363 2.379 0.358 1.00 0.00 C ATOM 81 O TRP A 6 28.050 3.394 0.477 1.00 0.00 O ATOM 82 CB TRP A 6 28.292 0.045 0.436 1.00 0.00 C ATOM 83 CG TRP A 6 29.641 0.423 -0.097 1.00 0.00 C ATOM 84 CD1 TRP A 6 30.777 0.641 0.626 1.00 0.00 C ATOM 85 CD2 TRP A 6 29.994 0.627 -1.469 1.00 0.00 C ATOM 86 NE1 TRP A 6 31.813 0.972 -0.211 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.358 0.970 -1.504 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.288 0.554 -2.673 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.029 1.239 -2.693 1.00 0.00 C ATOM 90 CZ3 TRP A 6 29.957 0.821 -3.854 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.315 1.160 -3.854 1.00 0.00 C ATOM 0 H TRP A 6 26.151 -0.300 1.602 1.00 0.00 H new ATOM 0 HA TRP A 6 28.279 1.453 2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.394 -0.839 1.066 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.646 -0.231 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 6 30.850 0.564 1.701 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.767 1.185 0.082 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.240 0.294 -2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.077 1.501 -2.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.423 0.767 -4.791 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.809 1.363 -4.793 1.00 0.00 H new ATOM 102 N LEU A 7 26.360 2.273 -0.518 1.00 0.00 N ATOM 103 CA LEU A 7 25.997 3.372 -1.413 1.00 0.00 C ATOM 104 C LEU A 7 25.422 4.545 -0.619 1.00 0.00 C ATOM 105 O LEU A 7 25.700 5.706 -0.924 1.00 0.00 O ATOM 106 CB LEU A 7 24.976 2.902 -2.454 1.00 0.00 C ATOM 107 CG LEU A 7 25.486 1.867 -3.464 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.338 1.350 -4.316 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.581 2.459 -4.347 1.00 0.00 C ATOM 0 H LEU A 7 25.786 1.437 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 7 26.900 3.702 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.118 2.480 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.617 3.773 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 7 25.914 1.032 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.715 0.616 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.591 0.882 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.884 2.180 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.925 1.705 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.185 3.315 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.416 2.781 -3.725 1.00 0.00 H new ATOM 121 N ALA A 8 24.623 4.230 0.405 1.00 0.00 N ATOM 122 CA ALA A 8 24.009 5.250 1.255 1.00 0.00 C ATOM 123 C ALA A 8 25.063 6.063 2.016 1.00 0.00 C ATOM 124 O ALA A 8 24.816 7.211 2.388 1.00 0.00 O ATOM 125 CB ALA A 8 23.033 4.610 2.229 1.00 0.00 C ATOM 0 H ALA A 8 24.387 3.272 0.665 1.00 0.00 H new ATOM 0 HA ALA A 8 23.466 5.937 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.584 5.382 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.251 4.093 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.563 3.895 2.859 1.00 0.00 H new ATOM 131 N ASP A 9 26.237 5.462 2.239 1.00 0.00 N ATOM 132 CA ASP A 9 27.325 6.134 2.950 1.00 0.00 C ATOM 133 C ASP A 9 28.217 6.938 1.993 1.00 0.00 C ATOM 134 O ASP A 9 29.351 7.284 2.337 1.00 0.00 O ATOM 135 CB ASP A 9 28.167 5.101 3.709 1.00 0.00 C ATOM 136 CG ASP A 9 28.781 5.668 4.975 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.056 5.790 5.984 1.00 0.00 O ATOM 138 OD2 ASP A 9 29.988 5.989 4.957 1.00 0.00 O ATOM 0 H ASP A 9 26.456 4.513 1.937 1.00 0.00 H new ATOM 0 HA ASP A 9 26.881 6.835 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.542 4.245 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 9 28.960 4.734 3.057 1.00 0.00 H new ATOM 143 N GLY A 10 27.705 7.240 0.794 1.00 0.00 N ATOM 144 CA GLY A 10 28.472 8.001 -0.180 1.00 0.00 C ATOM 145 C GLY A 10 29.248 7.126 -1.155 1.00 0.00 C ATOM 146 O GLY A 10 30.014 7.644 -1.970 1.00 0.00 O ATOM 0 H GLY A 10 26.772 6.969 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.795 8.646 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.169 8.652 0.346 1.00 0.00 H new ATOM 150 N GLY A 11 29.056 5.803 -1.079 1.00 0.00 N ATOM 151 CA GLY A 11 29.757 4.895 -1.973 1.00 0.00 C ATOM 152 C GLY A 11 31.269 4.997 -1.837 1.00 0.00 C ATOM 153 O GLY A 11 31.780 5.075 -0.719 1.00 0.00 O ATOM 0 H GLY A 11 28.429 5.350 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.445 3.872 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.472 5.112 -3.003 1.00 0.00 H new ATOM 157 N PRO A 12 32.019 5.002 -2.962 1.00 0.00 N ATOM 158 CA PRO A 12 33.488 5.103 -2.941 1.00 0.00 C ATOM 159 C PRO A 12 33.998 6.260 -2.075 1.00 0.00 C ATOM 160 O PRO A 12 35.073 6.168 -1.481 1.00 0.00 O ATOM 161 CB PRO A 12 33.845 5.352 -4.412 1.00 0.00 C ATOM 162 CG PRO A 12 32.731 4.737 -5.183 1.00 0.00 C ATOM 163 CD PRO A 12 31.494 4.907 -4.342 1.00 0.00 C ATOM 0 HA PRO A 12 33.943 4.210 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 12 33.931 6.418 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.802 4.898 -4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.613 5.223 -6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 12 32.928 3.683 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.939 5.803 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.814 4.063 -4.455 1.00 0.00 H new ATOM 171 N SER A 13 33.223 7.350 -2.016 1.00 0.00 N ATOM 172 CA SER A 13 33.592 8.531 -1.228 1.00 0.00 C ATOM 173 C SER A 13 33.885 8.175 0.231 1.00 0.00 C ATOM 174 O SER A 13 34.790 8.745 0.844 1.00 0.00 O ATOM 175 CB SER A 13 32.476 9.577 -1.285 1.00 0.00 C ATOM 176 OG SER A 13 32.209 9.971 -2.620 1.00 0.00 O ATOM 0 H SER A 13 32.333 7.438 -2.507 1.00 0.00 H new ATOM 0 HA SER A 13 34.503 8.940 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 13 31.570 9.171 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.761 10.449 -0.696 1.00 0.00 H new ATOM 0 HG SER A 13 31.491 10.638 -2.627 1.00 0.00 H new ATOM 182 N SER A 14 33.112 7.234 0.781 1.00 0.00 N ATOM 183 CA SER A 14 33.279 6.800 2.167 1.00 0.00 C ATOM 184 C SER A 14 34.707 6.326 2.451 1.00 0.00 C ATOM 185 O SER A 14 35.202 6.473 3.571 1.00 0.00 O ATOM 186 CB SER A 14 32.289 5.676 2.483 1.00 0.00 C ATOM 187 OG SER A 14 32.663 4.462 1.850 1.00 0.00 O ATOM 0 H SER A 14 32.361 6.757 0.282 1.00 0.00 H new ATOM 0 HA SER A 14 33.081 7.660 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 14 32.240 5.525 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 14 31.291 5.966 2.156 1.00 0.00 H new ATOM 0 HG SER A 14 32.403 4.492 0.905 1.00 0.00 H new ATOM 193 N GLY A 15 35.358 5.747 1.439 1.00 0.00 N ATOM 194 CA GLY A 15 36.713 5.250 1.607 1.00 0.00 C ATOM 195 C GLY A 15 36.747 3.782 2.009 1.00 0.00 C ATOM 196 O GLY A 15 37.728 3.320 2.594 1.00 0.00 O ATOM 0 H GLY A 15 34.968 5.615 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.263 5.382 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.223 5.844 2.365 1.00 0.00 H new ATOM 200 N ARG A 16 35.672 3.052 1.696 1.00 0.00 N ATOM 201 CA ARG A 16 35.576 1.632 2.029 1.00 0.00 C ATOM 202 C ARG A 16 35.269 0.810 0.773 1.00 0.00 C ATOM 203 O ARG A 16 34.520 1.264 -0.094 1.00 0.00 O ATOM 204 CB ARG A 16 34.482 1.424 3.090 1.00 0.00 C ATOM 205 CG ARG A 16 34.064 -0.027 3.299 1.00 0.00 C ATOM 206 CD ARG A 16 34.158 -0.429 4.764 1.00 0.00 C ATOM 207 NE ARG A 16 32.837 -0.591 5.375 1.00 0.00 N ATOM 208 CZ ARG A 16 32.564 -0.328 6.658 1.00 0.00 C ATOM 209 NH1 ARG A 16 33.519 0.098 7.482 1.00 0.00 N ATOM 210 NH2 ARG A 16 31.330 -0.497 7.119 1.00 0.00 N ATOM 0 H ARG A 16 34.855 3.424 1.211 1.00 0.00 H new ATOM 0 HA ARG A 16 36.530 1.294 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.835 1.826 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 16 33.604 2.003 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.042 -0.167 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 16 34.699 -0.680 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 16 34.713 -1.363 4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 16 34.720 0.327 5.312 1.00 0.00 H new ATOM 0 HE ARG A 16 32.076 -0.926 4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 16 34.470 0.227 7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 16 33.299 0.295 8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 16 30.593 -0.827 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 16 31.119 -0.297 8.097 1.00 0.00 H new ATOM 224 N PRO A 17 35.836 -0.412 0.645 1.00 0.00 N ATOM 225 CA PRO A 17 35.588 -1.260 -0.524 1.00 0.00 C ATOM 226 C PRO A 17 34.165 -1.819 -0.531 1.00 0.00 C ATOM 227 O PRO A 17 33.593 -2.094 0.526 1.00 0.00 O ATOM 228 CB PRO A 17 36.615 -2.386 -0.383 1.00 0.00 C ATOM 229 CG PRO A 17 36.920 -2.454 1.073 1.00 0.00 C ATOM 230 CD PRO A 17 36.749 -1.059 1.614 1.00 0.00 C ATOM 0 HA PRO A 17 35.684 -0.708 -1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.214 -3.332 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.513 -2.176 -0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 17 36.250 -3.150 1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.936 -2.812 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 17 36.325 -1.069 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.703 -0.535 1.676 1.00 0.00 H new ATOM 238 N PRO A 18 33.569 -1.991 -1.727 1.00 0.00 N ATOM 239 CA PRO A 18 32.203 -2.513 -1.867 1.00 0.00 C ATOM 240 C PRO A 18 32.060 -3.926 -1.294 1.00 0.00 C ATOM 241 O PRO A 18 32.783 -4.841 -1.697 1.00 0.00 O ATOM 242 CB PRO A 18 31.968 -2.520 -3.389 1.00 0.00 C ATOM 243 CG PRO A 18 33.330 -2.476 -3.990 1.00 0.00 C ATOM 244 CD PRO A 18 34.175 -1.684 -3.035 1.00 0.00 C ATOM 0 HA PRO A 18 31.480 -1.909 -1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.428 -3.414 -3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.371 -1.662 -3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 18 33.730 -3.481 -4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.308 -2.007 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.222 -1.985 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.142 -0.617 -3.255 1.00 0.00 H new ATOM 252 N PRO A 19 31.125 -4.117 -0.338 1.00 0.00 N ATOM 253 CA PRO A 19 30.885 -5.420 0.301 1.00 0.00 C ATOM 254 C PRO A 19 30.757 -6.561 -0.709 1.00 0.00 C ATOM 255 O PRO A 19 30.200 -6.385 -1.794 1.00 0.00 O ATOM 256 CB PRO A 19 29.554 -5.209 1.032 1.00 0.00 C ATOM 257 CG PRO A 19 29.518 -3.752 1.333 1.00 0.00 C ATOM 258 CD PRO A 19 30.234 -3.070 0.199 1.00 0.00 C ATOM 0 HA PRO A 19 31.712 -5.711 0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.709 -5.506 0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.504 -5.804 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.491 -3.397 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.005 -3.539 2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.535 -2.713 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.798 -2.204 0.546 1.00 0.00 H new ATOM 266 N SER A 20 31.277 -7.733 -0.339 1.00 0.00 N ATOM 267 CA SER A 20 31.226 -8.909 -1.204 1.00 0.00 C ATOM 268 C SER A 20 29.972 -9.741 -0.924 1.00 0.00 C ATOM 269 O SER A 20 30.031 -10.756 -0.226 1.00 0.00 O ATOM 270 CB SER A 20 32.481 -9.766 -1.010 1.00 0.00 C ATOM 271 OG SER A 20 33.651 -9.049 -1.368 1.00 0.00 O ATOM 0 H SER A 20 31.739 -7.891 0.557 1.00 0.00 H new ATOM 0 HA SER A 20 31.186 -8.567 -2.238 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.550 -10.084 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.405 -10.669 -1.615 1.00 0.00 H new ATOM 0 HG SER A 20 34.437 -9.618 -1.233 1.00 0.00 H new ATOM 277 N GLY A 21 28.835 -9.302 -1.471 1.00 0.00 N ATOM 278 CA GLY A 21 27.583 -10.016 -1.269 1.00 0.00 C ATOM 279 C GLY A 21 26.878 -9.611 0.015 1.00 0.00 C ATOM 280 O GLY A 21 27.528 -9.352 1.030 1.00 0.00 O ATOM 0 H GLY A 21 28.761 -8.465 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.922 -9.830 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.780 -11.088 -1.248 1.00 0.00 H new TER 284 GLY A 21