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 X(o=0,f=-0.011) 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 -71:sc= 1.08 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.212 -9.024 -0.733 1.00 0.00 N ATOM 2 CA GLY A -1 24.343 -8.935 0.427 1.00 0.00 C ATOM 3 C GLY A -1 23.777 -7.537 0.622 1.00 0.00 C ATOM 4 O GLY A -1 23.999 -6.649 -0.205 1.00 0.00 O ATOM 0 H2 GLY A -1 25.572 -9.995 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.522 -9.644 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A -1 24.900 -9.226 1.318 1.00 0.00 H new ATOM 8 N ASP A 1 23.045 -7.342 1.719 1.00 0.00 N ATOM 9 CA ASP A 1 22.442 -6.038 2.024 1.00 0.00 C ATOM 10 C ASP A 1 23.502 -4.989 2.388 1.00 0.00 C ATOM 11 O ASP A 1 23.224 -3.788 2.342 1.00 0.00 O ATOM 12 CB ASP A 1 21.422 -6.164 3.166 1.00 0.00 C ATOM 13 CG ASP A 1 20.584 -4.909 3.332 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.655 -4.703 2.524 1.00 0.00 O ATOM 15 OD2 ASP A 1 20.860 -4.132 4.271 1.00 0.00 O ATOM 0 H ASP A 1 22.854 -8.066 2.411 1.00 0.00 H new ATOM 0 HA ASP A 1 21.931 -5.703 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 1 20.766 -7.013 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.947 -6.373 4.098 1.00 0.00 H new ATOM 20 N ALA A 2 24.710 -5.438 2.748 1.00 0.00 N ATOM 21 CA ALA A 2 25.797 -4.524 3.113 1.00 0.00 C ATOM 22 C ALA A 2 26.063 -3.494 2.012 1.00 0.00 C ATOM 23 O ALA A 2 26.399 -2.345 2.301 1.00 0.00 O ATOM 24 CB ALA A 2 27.070 -5.302 3.425 1.00 0.00 C ATOM 0 H ALA A 2 24.959 -6.426 2.794 1.00 0.00 H new ATOM 0 HA ALA A 2 25.484 -3.984 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.865 -4.606 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 2 26.886 -5.982 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.370 -5.875 2.548 1.00 0.00 H new ATOM 30 N TYR A 3 25.906 -3.912 0.751 1.00 0.00 N ATOM 31 CA TYR A 3 26.125 -3.024 -0.391 1.00 0.00 C ATOM 32 C TYR A 3 25.165 -1.833 -0.359 1.00 0.00 C ATOM 33 O TYR A 3 25.555 -0.709 -0.680 1.00 0.00 O ATOM 34 CB TYR A 3 25.964 -3.792 -1.706 1.00 0.00 C ATOM 35 CG TYR A 3 26.550 -3.074 -2.902 1.00 0.00 C ATOM 36 CD1 TYR A 3 27.924 -3.039 -3.113 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.729 -2.430 -3.819 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.460 -2.382 -4.204 1.00 0.00 C ATOM 39 CE2 TYR A 3 26.259 -1.772 -4.912 1.00 0.00 C ATOM 40 CZ TYR A 3 27.624 -1.750 -5.099 1.00 0.00 C ATOM 41 OH TYR A 3 28.156 -1.095 -6.187 1.00 0.00 O ATOM 0 H TYR A 3 25.628 -4.860 0.498 1.00 0.00 H new ATOM 0 HA TYR A 3 27.144 -2.643 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.441 -4.767 -1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.904 -3.972 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.582 -3.533 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.659 -2.444 -3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.529 -2.364 -4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.607 -1.277 -5.616 1.00 0.00 H new ATOM 0 HH TYR A 3 27.432 -0.704 -6.719 1.00 0.00 H new ATOM 51 N ALA A 4 23.914 -2.085 0.037 1.00 0.00 N ATOM 52 CA ALA A 4 22.904 -1.031 0.121 1.00 0.00 C ATOM 53 C ALA A 4 23.349 0.077 1.075 1.00 0.00 C ATOM 54 O ALA A 4 23.236 1.262 0.758 1.00 0.00 O ATOM 55 CB ALA A 4 21.567 -1.607 0.565 1.00 0.00 C ATOM 0 H ALA A 4 23.578 -3.010 0.304 1.00 0.00 H new ATOM 0 HA ALA A 4 22.784 -0.598 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.828 -0.808 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.237 -2.356 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.678 -2.069 1.546 1.00 0.00 H new ATOM 61 N GLN A 5 23.869 -0.320 2.240 1.00 0.00 N ATOM 62 CA GLN A 5 24.347 0.636 3.239 1.00 0.00 C ATOM 63 C GLN A 5 25.635 1.315 2.769 1.00 0.00 C ATOM 64 O GLN A 5 25.844 2.504 3.016 1.00 0.00 O ATOM 65 CB GLN A 5 24.585 -0.063 4.582 1.00 0.00 C ATOM 66 CG GLN A 5 23.324 -0.651 5.197 1.00 0.00 C ATOM 67 CD GLN A 5 23.338 -0.617 6.715 1.00 0.00 C ATOM 68 OE1 GLN A 5 24.336 -0.967 7.346 1.00 0.00 O ATOM 69 NE2 GLN A 5 22.226 -0.197 7.312 1.00 0.00 N ATOM 0 H GLN A 5 23.969 -1.298 2.513 1.00 0.00 H new ATOM 0 HA GLN A 5 23.579 1.399 3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.316 -0.859 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.021 0.651 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 5 22.457 -0.099 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 5 23.209 -1.682 4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.421 0.084 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.178 -0.156 8.330 1.00 0.00 H new ATOM 78 N TRP A 6 26.486 0.549 2.081 1.00 0.00 N ATOM 79 CA TRP A 6 27.753 1.064 1.558 1.00 0.00 C ATOM 80 C TRP A 6 27.506 2.230 0.597 1.00 0.00 C ATOM 81 O TRP A 6 28.193 3.250 0.659 1.00 0.00 O ATOM 82 CB TRP A 6 28.525 -0.059 0.852 1.00 0.00 C ATOM 83 CG TRP A 6 29.835 0.378 0.264 1.00 0.00 C ATOM 84 CD1 TRP A 6 30.981 0.692 0.939 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.132 0.547 -1.128 1.00 0.00 C ATOM 86 NE1 TRP A 6 31.965 1.054 0.050 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.469 0.971 -1.222 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.396 0.381 -2.304 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.083 1.233 -2.442 1.00 0.00 C ATOM 90 CZ3 TRP A 6 30.009 0.640 -3.515 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.343 1.062 -3.573 1.00 0.00 C ATOM 0 H TRP A 6 26.318 -0.435 1.873 1.00 0.00 H new ATOM 0 HA TRP A 6 28.351 1.431 2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.708 -0.864 1.564 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.902 -0.472 0.059 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.097 0.660 2.012 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.912 1.339 0.299 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.367 0.056 -2.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.111 1.561 -2.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.451 0.515 -4.431 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.795 1.256 -4.535 1.00 0.00 H new ATOM 102 N LEU A 7 26.507 2.075 -0.280 1.00 0.00 N ATOM 103 CA LEU A 7 26.154 3.120 -1.240 1.00 0.00 C ATOM 104 C LEU A 7 25.587 4.344 -0.522 1.00 0.00 C ATOM 105 O LEU A 7 25.869 5.481 -0.901 1.00 0.00 O ATOM 106 CB LEU A 7 25.125 2.599 -2.252 1.00 0.00 C ATOM 107 CG LEU A 7 25.632 1.533 -3.230 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.481 0.985 -4.058 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.721 2.096 -4.138 1.00 0.00 C ATOM 0 H LEU A 7 25.931 1.236 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 7 27.062 3.407 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.279 2.187 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.750 3.445 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 7 26.065 0.718 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.857 0.229 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.739 0.537 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 7 24.021 1.796 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 7 27.063 1.319 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.321 2.933 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.559 2.440 -3.531 1.00 0.00 H new ATOM 121 N ALA A 8 24.789 4.098 0.523 1.00 0.00 N ATOM 122 CA ALA A 8 24.179 5.174 1.305 1.00 0.00 C ATOM 123 C ALA A 8 25.232 6.048 1.991 1.00 0.00 C ATOM 124 O ALA A 8 24.983 7.224 2.265 1.00 0.00 O ATOM 125 CB ALA A 8 23.221 4.598 2.336 1.00 0.00 C ATOM 0 H ALA A 8 24.551 3.160 0.846 1.00 0.00 H new ATOM 0 HA ALA A 8 23.624 5.809 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.774 5.409 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.436 4.037 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.765 3.934 3.008 1.00 0.00 H new ATOM 131 N ASP A 9 26.409 5.473 2.263 1.00 0.00 N ATOM 132 CA ASP A 9 27.494 6.208 2.912 1.00 0.00 C ATOM 133 C ASP A 9 28.339 6.997 1.900 1.00 0.00 C ATOM 134 O ASP A 9 29.418 7.490 2.238 1.00 0.00 O ATOM 135 CB ASP A 9 28.387 5.240 3.697 1.00 0.00 C ATOM 136 CG ASP A 9 28.965 5.871 4.949 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.245 5.939 5.967 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.140 6.295 4.913 1.00 0.00 O ATOM 0 H ASP A 9 26.632 4.502 2.043 1.00 0.00 H new ATOM 0 HA ASP A 9 27.042 6.926 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.808 4.358 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.201 4.900 3.056 1.00 0.00 H new ATOM 143 N GLY A 10 27.846 7.123 0.662 1.00 0.00 N ATOM 144 CA GLY A 10 28.571 7.855 -0.363 1.00 0.00 C ATOM 145 C GLY A 10 29.394 6.958 -1.279 1.00 0.00 C ATOM 146 O GLY A 10 30.144 7.458 -2.120 1.00 0.00 O ATOM 0 H GLY A 10 26.956 6.729 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.861 8.423 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.232 8.577 0.116 1.00 0.00 H new ATOM 150 N GLY A 11 29.256 5.636 -1.124 1.00 0.00 N ATOM 151 CA GLY A 11 30.001 4.703 -1.955 1.00 0.00 C ATOM 152 C GLY A 11 31.507 4.904 -1.857 1.00 0.00 C ATOM 153 O GLY A 11 32.028 5.113 -0.761 1.00 0.00 O ATOM 0 H GLY A 11 28.641 5.199 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.755 3.683 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.690 4.819 -2.993 1.00 0.00 H new ATOM 157 N PRO A 12 32.238 4.847 -2.994 1.00 0.00 N ATOM 158 CA PRO A 12 33.701 5.029 -3.015 1.00 0.00 C ATOM 159 C PRO A 12 34.162 6.290 -2.273 1.00 0.00 C ATOM 160 O PRO A 12 35.256 6.315 -1.708 1.00 0.00 O ATOM 161 CB PRO A 12 34.020 5.156 -4.508 1.00 0.00 C ATOM 162 CG PRO A 12 32.928 4.417 -5.196 1.00 0.00 C ATOM 163 CD PRO A 12 31.698 4.595 -4.347 1.00 0.00 C ATOM 0 HA PRO A 12 34.210 4.206 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 12 34.047 6.200 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.995 4.728 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.767 4.808 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.179 3.361 -5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 12 31.088 5.428 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 12 31.066 3.707 -4.367 1.00 0.00 H new ATOM 171 N SER A 13 33.325 7.334 -2.288 1.00 0.00 N ATOM 172 CA SER A 13 33.645 8.601 -1.623 1.00 0.00 C ATOM 173 C SER A 13 34.016 8.393 -0.153 1.00 0.00 C ATOM 174 O SER A 13 34.957 9.012 0.347 1.00 0.00 O ATOM 175 CB SER A 13 32.465 9.572 -1.726 1.00 0.00 C ATOM 176 OG SER A 13 32.827 10.868 -1.282 1.00 0.00 O ATOM 0 H SER A 13 32.418 7.325 -2.755 1.00 0.00 H new ATOM 0 HA SER A 13 34.510 9.025 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 13 32.121 9.622 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 13 31.632 9.200 -1.130 1.00 0.00 H new ATOM 0 HG SER A 13 32.056 11.468 -1.360 1.00 0.00 H new ATOM 182 N SER A 14 33.270 7.524 0.533 1.00 0.00 N ATOM 183 CA SER A 14 33.512 7.234 1.945 1.00 0.00 C ATOM 184 C SER A 14 34.929 6.706 2.188 1.00 0.00 C ATOM 185 O SER A 14 35.504 6.926 3.255 1.00 0.00 O ATOM 186 CB SER A 14 32.485 6.219 2.453 1.00 0.00 C ATOM 187 OG SER A 14 32.738 4.922 1.937 1.00 0.00 O ATOM 0 H SER A 14 32.489 7.007 0.129 1.00 0.00 H new ATOM 0 HA SER A 14 33.409 8.170 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 14 32.509 6.190 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 31.483 6.538 2.165 1.00 0.00 H new ATOM 0 HG SER A 14 32.527 4.904 0.980 1.00 0.00 H new ATOM 193 N GLY A 15 35.482 5.998 1.199 1.00 0.00 N ATOM 194 CA GLY A 15 36.817 5.440 1.334 1.00 0.00 C ATOM 195 C GLY A 15 36.799 4.027 1.898 1.00 0.00 C ATOM 196 O GLY A 15 37.794 3.565 2.458 1.00 0.00 O ATOM 0 H GLY A 15 35.026 5.803 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.306 5.434 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.412 6.081 1.985 1.00 0.00 H new ATOM 200 N ARG A 16 35.661 3.344 1.750 1.00 0.00 N ATOM 201 CA ARG A 16 35.501 1.980 2.245 1.00 0.00 C ATOM 202 C ARG A 16 35.299 1.014 1.073 1.00 0.00 C ATOM 203 O ARG A 16 34.692 1.387 0.065 1.00 0.00 O ATOM 204 CB ARG A 16 34.306 1.919 3.205 1.00 0.00 C ATOM 205 CG ARG A 16 34.293 0.700 4.111 1.00 0.00 C ATOM 206 CD ARG A 16 33.688 1.023 5.468 1.00 0.00 C ATOM 207 NE ARG A 16 32.290 0.599 5.570 1.00 0.00 N ATOM 208 CZ ARG A 16 31.393 1.166 6.382 1.00 0.00 C ATOM 209 NH1 ARG A 16 31.740 2.180 7.171 1.00 0.00 N ATOM 210 NH2 ARG A 16 30.143 0.715 6.412 1.00 0.00 N ATOM 0 H ARG A 16 34.833 3.719 1.287 1.00 0.00 H new ATOM 0 HA ARG A 16 36.402 1.683 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.306 2.817 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 16 33.385 1.933 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.724 -0.100 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 16 35.311 0.332 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 16 34.271 0.534 6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 16 33.753 2.096 5.646 1.00 0.00 H new ATOM 0 HE ARG A 16 31.982 -0.177 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 16 32.698 2.531 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 16 31.048 2.606 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 16 29.868 -0.065 5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 16 29.459 1.149 7.032 1.00 0.00 H new ATOM 224 N PRO A 17 35.800 -0.238 1.168 1.00 0.00 N ATOM 225 CA PRO A 17 35.649 -1.217 0.088 1.00 0.00 C ATOM 226 C PRO A 17 34.226 -1.775 0.005 1.00 0.00 C ATOM 227 O PRO A 17 33.582 -2.009 1.028 1.00 0.00 O ATOM 228 CB PRO A 17 36.641 -2.318 0.460 1.00 0.00 C ATOM 229 CG PRO A 17 36.778 -2.234 1.941 1.00 0.00 C ATOM 230 CD PRO A 17 36.548 -0.793 2.317 1.00 0.00 C ATOM 0 HA PRO A 17 35.836 -0.776 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.275 -3.298 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.601 -2.167 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 17 36.054 -2.883 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.768 -2.563 2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.978 -0.708 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.489 -0.266 2.472 1.00 0.00 H new ATOM 238 N PRO A 18 33.717 -1.991 -1.225 1.00 0.00 N ATOM 239 CA PRO A 18 32.363 -2.520 -1.442 1.00 0.00 C ATOM 240 C PRO A 18 32.215 -3.959 -0.934 1.00 0.00 C ATOM 241 O PRO A 18 32.902 -4.864 -1.415 1.00 0.00 O ATOM 242 CB PRO A 18 32.194 -2.468 -2.970 1.00 0.00 C ATOM 243 CG PRO A 18 33.584 -2.466 -3.509 1.00 0.00 C ATOM 244 CD PRO A 18 34.418 -1.734 -2.497 1.00 0.00 C ATOM 0 HA PRO A 18 31.611 -1.947 -0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.630 -3.326 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.650 -1.575 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 18 33.948 -3.483 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.626 -1.972 -4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.442 -2.108 -2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.473 -0.668 -2.717 1.00 0.00 H new ATOM 252 N PRO A 19 31.317 -4.189 0.050 1.00 0.00 N ATOM 253 CA PRO A 19 31.082 -5.526 0.623 1.00 0.00 C ATOM 254 C PRO A 19 30.691 -6.560 -0.435 1.00 0.00 C ATOM 255 O PRO A 19 30.459 -6.220 -1.597 1.00 0.00 O ATOM 256 CB PRO A 19 29.916 -5.304 1.598 1.00 0.00 C ATOM 257 CG PRO A 19 29.952 -3.851 1.917 1.00 0.00 C ATOM 258 CD PRO A 19 30.465 -3.166 0.683 1.00 0.00 C ATOM 0 HA PRO A 19 31.983 -5.922 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.965 -5.585 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.033 -5.909 2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.960 -3.485 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.602 -3.655 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.651 -2.860 0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.032 -2.268 0.929 1.00 0.00 H new ATOM 266 N SER A 20 30.614 -7.824 -0.017 1.00 0.00 N ATOM 267 CA SER A 20 30.244 -8.914 -0.921 1.00 0.00 C ATOM 268 C SER A 20 28.734 -8.929 -1.175 1.00 0.00 C ATOM 269 O SER A 20 28.015 -8.025 -0.742 1.00 0.00 O ATOM 270 CB SER A 20 30.698 -10.263 -0.346 1.00 0.00 C ATOM 271 OG SER A 20 31.495 -10.973 -1.278 1.00 0.00 O ATOM 0 H SER A 20 30.803 -8.118 0.941 1.00 0.00 H new ATOM 0 HA SER A 20 30.748 -8.748 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.264 -10.099 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 20 29.826 -10.860 -0.079 1.00 0.00 H new ATOM 0 HG SER A 20 31.773 -11.828 -0.887 1.00 0.00 H new ATOM 277 N GLY A 21 28.262 -9.960 -1.883 1.00 0.00 N ATOM 278 CA GLY A 21 26.843 -10.075 -2.187 1.00 0.00 C ATOM 279 C GLY A 21 25.974 -10.098 -0.941 1.00 0.00 C ATOM 280 O GLY A 21 25.995 -11.069 -0.182 1.00 0.00 O ATOM 0 H GLY A 21 28.839 -10.716 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.542 -9.239 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 21 26.672 -10.986 -2.761 1.00 0.00 H new TER 284 GLY A 21