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=-0.00335 X(o=-0.0033,f=0) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -75:sc= 1.23 USER MOD Single : A 14 SER OG : rot -88:sc= 1.27 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.512 -9.254 -0.317 1.00 0.00 N ATOM 2 CA GLY A -1 24.821 -9.003 0.933 1.00 0.00 C ATOM 3 C GLY A -1 24.161 -7.635 0.974 1.00 0.00 C ATOM 4 O GLY A -1 24.397 -6.797 0.100 1.00 0.00 O ATOM 0 H2 GLY A -1 25.944 -10.200 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A -1 24.064 -9.772 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.529 -9.085 1.758 1.00 0.00 H new ATOM 8 N ASP A 1 23.334 -7.407 1.996 1.00 0.00 N ATOM 9 CA ASP A 1 22.635 -6.129 2.159 1.00 0.00 C ATOM 10 C ASP A 1 23.600 -4.982 2.486 1.00 0.00 C ATOM 11 O ASP A 1 23.219 -3.812 2.409 1.00 0.00 O ATOM 12 CB ASP A 1 21.576 -6.237 3.261 1.00 0.00 C ATOM 13 CG ASP A 1 20.422 -7.141 2.868 1.00 0.00 C ATOM 14 OD1 ASP A 1 19.447 -6.633 2.275 1.00 0.00 O ATOM 15 OD2 ASP A 1 20.496 -8.355 3.150 1.00 0.00 O ATOM 0 H ASP A 1 23.131 -8.091 2.725 1.00 0.00 H new ATOM 0 HA ASP A 1 22.154 -5.903 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 1 22.040 -6.619 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.193 -5.243 3.492 1.00 0.00 H new ATOM 20 N ALA A 2 24.844 -5.318 2.849 1.00 0.00 N ATOM 21 CA ALA A 2 25.851 -4.307 3.182 1.00 0.00 C ATOM 22 C ALA A 2 26.037 -3.297 2.047 1.00 0.00 C ATOM 23 O ALA A 2 26.302 -2.121 2.299 1.00 0.00 O ATOM 24 CB ALA A 2 27.181 -4.966 3.524 1.00 0.00 C ATOM 0 H ALA A 2 25.175 -6.280 2.919 1.00 0.00 H new ATOM 0 HA ALA A 2 25.490 -3.764 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.915 -4.198 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.050 -5.628 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.531 -5.544 2.669 1.00 0.00 H new ATOM 30 N TYR A 3 25.895 -3.760 0.800 1.00 0.00 N ATOM 31 CA TYR A 3 26.046 -2.892 -0.368 1.00 0.00 C ATOM 32 C TYR A 3 25.030 -1.748 -0.344 1.00 0.00 C ATOM 33 O TYR A 3 25.353 -0.620 -0.720 1.00 0.00 O ATOM 34 CB TYR A 3 25.899 -3.697 -1.663 1.00 0.00 C ATOM 35 CG TYR A 3 26.336 -2.939 -2.897 1.00 0.00 C ATOM 36 CD1 TYR A 3 27.684 -2.766 -3.190 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.401 -2.395 -3.767 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.085 -2.070 -4.314 1.00 0.00 C ATOM 39 CE2 TYR A 3 25.794 -1.699 -4.892 1.00 0.00 C ATOM 40 CZ TYR A 3 27.137 -1.539 -5.163 1.00 0.00 C ATOM 41 OH TYR A 3 27.533 -0.844 -6.281 1.00 0.00 O ATOM 0 H TYR A 3 25.676 -4.731 0.576 1.00 0.00 H new ATOM 0 HA TYR A 3 27.047 -2.462 -0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.486 -4.612 -1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.857 -3.996 -1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.429 -3.182 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.348 -2.519 -3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.136 -1.942 -4.527 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.053 -1.281 -5.558 1.00 0.00 H new ATOM 0 HH TYR A 3 26.743 -0.537 -6.772 1.00 0.00 H new ATOM 51 N ALA A 4 23.807 -2.044 0.108 1.00 0.00 N ATOM 52 CA ALA A 4 22.753 -1.032 0.191 1.00 0.00 C ATOM 53 C ALA A 4 23.195 0.137 1.071 1.00 0.00 C ATOM 54 O ALA A 4 23.022 1.301 0.703 1.00 0.00 O ATOM 55 CB ALA A 4 21.464 -1.644 0.722 1.00 0.00 C ATOM 0 H ALA A 4 23.525 -2.973 0.421 1.00 0.00 H new ATOM 0 HA ALA A 4 22.565 -0.652 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.692 -0.876 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.137 -2.440 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.639 -2.054 1.717 1.00 0.00 H new ATOM 61 N GLN A 5 23.785 -0.183 2.226 1.00 0.00 N ATOM 62 CA GLN A 5 24.273 0.838 3.152 1.00 0.00 C ATOM 63 C GLN A 5 25.560 1.472 2.625 1.00 0.00 C ATOM 64 O GLN A 5 25.822 2.652 2.865 1.00 0.00 O ATOM 65 CB GLN A 5 24.519 0.233 4.537 1.00 0.00 C ATOM 66 CG GLN A 5 23.246 0.002 5.336 1.00 0.00 C ATOM 67 CD GLN A 5 22.852 -1.462 5.399 1.00 0.00 C ATOM 68 OE1 GLN A 5 23.270 -2.190 6.299 1.00 0.00 O ATOM 69 NE2 GLN A 5 22.042 -1.904 4.441 1.00 0.00 N ATOM 0 H GLN A 5 23.935 -1.142 2.541 1.00 0.00 H new ATOM 0 HA GLN A 5 23.510 1.612 3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.043 -0.716 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.177 0.894 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 5 23.384 0.381 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 5 22.433 0.574 4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.718 -1.267 3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.745 -2.880 4.434 1.00 0.00 H new ATOM 78 N TRP A 6 26.357 0.679 1.900 1.00 0.00 N ATOM 79 CA TRP A 6 27.614 1.155 1.327 1.00 0.00 C ATOM 80 C TRP A 6 27.371 2.356 0.410 1.00 0.00 C ATOM 81 O TRP A 6 28.054 3.375 0.519 1.00 0.00 O ATOM 82 CB TRP A 6 28.308 0.027 0.553 1.00 0.00 C ATOM 83 CG TRP A 6 29.648 0.415 0.005 1.00 0.00 C ATOM 84 CD1 TRP A 6 30.790 0.646 0.716 1.00 0.00 C ATOM 85 CD2 TRP A 6 29.985 0.620 -1.371 1.00 0.00 C ATOM 86 NE1 TRP A 6 31.812 0.988 -0.133 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.343 0.978 -1.419 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.269 0.538 -2.568 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.000 1.253 -2.616 1.00 0.00 C ATOM 90 CZ3 TRP A 6 29.923 0.810 -3.755 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.276 1.164 -3.769 1.00 0.00 C ATOM 0 H TRP A 6 26.149 -0.299 1.697 1.00 0.00 H new ATOM 0 HA TRP A 6 28.264 1.472 2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.429 -0.834 1.211 1.00 0.00 H new ATOM 0 HB3 TRP A 6 27.665 -0.288 -0.269 1.00 0.00 H new ATOM 0 HD1 TRP A 6 30.876 0.571 1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 6 32.766 1.213 0.148 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.224 0.267 -2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.045 1.527 -2.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.380 0.748 -4.687 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.758 1.371 -4.713 1.00 0.00 H new ATOM 102 N LEU A 7 26.382 2.232 -0.482 1.00 0.00 N ATOM 103 CA LEU A 7 26.037 3.312 -1.406 1.00 0.00 C ATOM 104 C LEU A 7 25.497 4.522 -0.645 1.00 0.00 C ATOM 105 O LEU A 7 25.811 5.666 -0.981 1.00 0.00 O ATOM 106 CB LEU A 7 24.994 2.835 -2.423 1.00 0.00 C ATOM 107 CG LEU A 7 25.482 1.785 -3.427 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.317 1.260 -4.252 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.563 2.358 -4.338 1.00 0.00 C ATOM 0 H LEU A 7 25.808 1.394 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 7 26.943 3.605 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.143 2.424 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.630 3.700 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 7 25.917 0.957 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.679 0.515 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.580 0.804 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.856 2.084 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.891 1.592 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.161 3.208 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.411 2.685 -3.736 1.00 0.00 H new ATOM 121 N ALA A 8 24.687 4.259 0.386 1.00 0.00 N ATOM 122 CA ALA A 8 24.104 5.321 1.207 1.00 0.00 C ATOM 123 C ALA A 8 25.183 6.109 1.952 1.00 0.00 C ATOM 124 O ALA A 8 25.013 7.300 2.222 1.00 0.00 O ATOM 125 CB ALA A 8 23.101 4.740 2.188 1.00 0.00 C ATOM 0 H ALA A 8 24.421 3.316 0.671 1.00 0.00 H new ATOM 0 HA ALA A 8 23.588 6.012 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.676 5.542 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.304 4.238 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.602 4.023 2.838 1.00 0.00 H new ATOM 131 N ASP A 9 26.294 5.442 2.278 1.00 0.00 N ATOM 132 CA ASP A 9 27.400 6.084 2.987 1.00 0.00 C ATOM 133 C ASP A 9 28.275 6.920 2.039 1.00 0.00 C ATOM 134 O ASP A 9 29.219 7.577 2.485 1.00 0.00 O ATOM 135 CB ASP A 9 28.257 5.032 3.702 1.00 0.00 C ATOM 136 CG ASP A 9 28.850 5.553 4.997 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.104 5.661 5.992 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.063 5.853 5.015 1.00 0.00 O ATOM 0 H ASP A 9 26.449 4.457 2.061 1.00 0.00 H new ATOM 0 HA ASP A 9 26.968 6.759 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.648 4.153 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.062 4.712 3.040 1.00 0.00 H new ATOM 143 N GLY A 10 27.955 6.900 0.739 1.00 0.00 N ATOM 144 CA GLY A 10 28.720 7.667 -0.232 1.00 0.00 C ATOM 145 C GLY A 10 29.480 6.805 -1.232 1.00 0.00 C ATOM 146 O GLY A 10 30.208 7.337 -2.072 1.00 0.00 O ATOM 0 H GLY A 10 27.180 6.366 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 10 28.043 8.327 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.429 8.303 0.298 1.00 0.00 H new ATOM 150 N GLY A 11 29.320 5.479 -1.150 1.00 0.00 N ATOM 151 CA GLY A 11 30.014 4.590 -2.067 1.00 0.00 C ATOM 152 C GLY A 11 31.526 4.713 -1.959 1.00 0.00 C ATOM 153 O GLY A 11 32.058 4.783 -0.853 1.00 0.00 O ATOM 0 H GLY A 11 28.724 5.011 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.720 3.560 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.706 4.813 -3.088 1.00 0.00 H new ATOM 157 N PRO A 12 32.253 4.743 -3.096 1.00 0.00 N ATOM 158 CA PRO A 12 33.720 4.862 -3.098 1.00 0.00 C ATOM 159 C PRO A 12 34.231 6.026 -2.238 1.00 0.00 C ATOM 160 O PRO A 12 35.259 5.902 -1.567 1.00 0.00 O ATOM 161 CB PRO A 12 34.054 5.118 -4.573 1.00 0.00 C ATOM 162 CG PRO A 12 32.928 4.510 -5.333 1.00 0.00 C ATOM 163 CD PRO A 12 31.706 4.653 -4.467 1.00 0.00 C ATOM 0 HA PRO A 12 34.190 3.973 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 12 34.139 6.185 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.006 4.664 -4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.788 5.014 -6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.129 3.461 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 12 31.133 5.543 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 12 31.037 3.799 -4.575 1.00 0.00 H new ATOM 171 N SER A 13 33.515 7.154 -2.271 1.00 0.00 N ATOM 172 CA SER A 13 33.901 8.345 -1.506 1.00 0.00 C ATOM 173 C SER A 13 33.867 8.098 0.007 1.00 0.00 C ATOM 174 O SER A 13 34.617 8.729 0.755 1.00 0.00 O ATOM 175 CB SER A 13 32.993 9.527 -1.863 1.00 0.00 C ATOM 176 OG SER A 13 31.735 9.429 -1.215 1.00 0.00 O ATOM 0 H SER A 13 32.663 7.268 -2.820 1.00 0.00 H new ATOM 0 HA SER A 13 34.930 8.581 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 13 33.479 10.460 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.846 9.561 -2.942 1.00 0.00 H new ATOM 0 HG SER A 13 31.192 8.743 -1.657 1.00 0.00 H new ATOM 182 N SER A 14 32.997 7.186 0.452 1.00 0.00 N ATOM 183 CA SER A 14 32.870 6.864 1.875 1.00 0.00 C ATOM 184 C SER A 14 34.212 6.452 2.488 1.00 0.00 C ATOM 185 O SER A 14 34.441 6.657 3.681 1.00 0.00 O ATOM 186 CB SER A 14 31.842 5.745 2.078 1.00 0.00 C ATOM 187 OG SER A 14 32.385 4.475 1.749 1.00 0.00 O ATOM 0 H SER A 14 32.370 6.658 -0.154 1.00 0.00 H new ATOM 0 HA SER A 14 32.531 7.767 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.507 5.741 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.965 5.938 1.460 1.00 0.00 H new ATOM 0 HG SER A 14 32.251 4.300 0.794 1.00 0.00 H new ATOM 193 N GLY A 15 35.086 5.858 1.672 1.00 0.00 N ATOM 194 CA GLY A 15 36.382 5.414 2.159 1.00 0.00 C ATOM 195 C GLY A 15 36.379 3.947 2.563 1.00 0.00 C ATOM 196 O GLY A 15 37.286 3.489 3.258 1.00 0.00 O ATOM 0 H GLY A 15 34.917 5.677 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.132 5.573 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.674 6.023 3.015 1.00 0.00 H new ATOM 200 N ARG A 16 35.353 3.215 2.125 1.00 0.00 N ATOM 201 CA ARG A 16 35.221 1.796 2.434 1.00 0.00 C ATOM 202 C ARG A 16 35.047 0.990 1.145 1.00 0.00 C ATOM 203 O ARG A 16 34.431 1.475 0.195 1.00 0.00 O ATOM 204 CB ARG A 16 34.017 1.584 3.361 1.00 0.00 C ATOM 205 CG ARG A 16 33.895 0.170 3.910 1.00 0.00 C ATOM 206 CD ARG A 16 32.950 0.111 5.102 1.00 0.00 C ATOM 207 NE ARG A 16 31.546 0.231 4.700 1.00 0.00 N ATOM 208 CZ ARG A 16 30.856 1.377 4.698 1.00 0.00 C ATOM 209 NH1 ARG A 16 31.427 2.516 5.084 1.00 0.00 N ATOM 210 NH2 ARG A 16 29.585 1.383 4.309 1.00 0.00 N ATOM 0 H ARG A 16 34.597 3.588 1.551 1.00 0.00 H new ATOM 0 HA ARG A 16 36.124 1.451 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.088 2.281 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 16 33.105 1.830 2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.534 -0.495 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 16 34.879 -0.192 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 16 33.095 -0.830 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 16 33.197 0.912 5.799 1.00 0.00 H new ATOM 0 HE ARG A 16 31.062 -0.616 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 16 32.401 2.521 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 16 30.890 3.383 5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 16 29.138 0.515 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 16 29.057 2.255 4.307 1.00 0.00 H new ATOM 224 N PRO A 17 35.581 -0.250 1.079 1.00 0.00 N ATOM 225 CA PRO A 17 35.456 -1.085 -0.119 1.00 0.00 C ATOM 226 C PRO A 17 34.050 -1.672 -0.270 1.00 0.00 C ATOM 227 O PRO A 17 33.383 -1.966 0.725 1.00 0.00 O ATOM 228 CB PRO A 17 36.483 -2.193 0.111 1.00 0.00 C ATOM 229 CG PRO A 17 36.595 -2.309 1.592 1.00 0.00 C ATOM 230 CD PRO A 17 36.344 -0.932 2.149 1.00 0.00 C ATOM 0 HA PRO A 17 35.625 -0.518 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.157 -3.133 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.443 -1.942 -0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.869 -3.023 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.583 -2.670 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.777 -0.974 3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.277 -0.413 2.368 1.00 0.00 H new ATOM 238 N PRO A 18 33.577 -1.843 -1.522 1.00 0.00 N ATOM 239 CA PRO A 18 32.242 -2.391 -1.801 1.00 0.00 C ATOM 240 C PRO A 18 32.099 -3.843 -1.340 1.00 0.00 C ATOM 241 O PRO A 18 32.816 -4.725 -1.816 1.00 0.00 O ATOM 242 CB PRO A 18 32.119 -2.301 -3.331 1.00 0.00 C ATOM 243 CG PRO A 18 33.524 -2.228 -3.826 1.00 0.00 C ATOM 244 CD PRO A 18 34.305 -1.510 -2.762 1.00 0.00 C ATOM 0 HA PRO A 18 31.465 -1.844 -1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.602 -3.170 -3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.549 -1.422 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 18 33.928 -3.225 -4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 18 33.576 -1.694 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.340 -1.850 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.329 -0.435 -2.938 1.00 0.00 H new ATOM 252 N PRO A 19 31.162 -4.109 -0.405 1.00 0.00 N ATOM 253 CA PRO A 19 30.918 -5.460 0.123 1.00 0.00 C ATOM 254 C PRO A 19 30.746 -6.500 -0.982 1.00 0.00 C ATOM 255 O PRO A 19 30.224 -6.196 -2.057 1.00 0.00 O ATOM 256 CB PRO A 19 29.611 -5.301 0.907 1.00 0.00 C ATOM 257 CG PRO A 19 29.588 -3.870 1.316 1.00 0.00 C ATOM 258 CD PRO A 19 30.270 -3.109 0.212 1.00 0.00 C ATOM 0 HA PRO A 19 31.756 -5.818 0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.747 -5.551 0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.586 -5.961 1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.565 -3.521 1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.105 -3.728 2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.551 -2.717 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.830 -2.258 0.599 1.00 0.00 H new ATOM 266 N SER A 20 31.186 -7.728 -0.709 1.00 0.00 N ATOM 267 CA SER A 20 31.081 -8.816 -1.678 1.00 0.00 C ATOM 268 C SER A 20 29.823 -9.649 -1.429 1.00 0.00 C ATOM 269 O SER A 20 29.887 -10.733 -0.843 1.00 0.00 O ATOM 270 CB SER A 20 32.328 -9.706 -1.614 1.00 0.00 C ATOM 271 OG SER A 20 32.399 -10.571 -2.735 1.00 0.00 O ATOM 0 H SER A 20 31.619 -7.993 0.176 1.00 0.00 H new ATOM 0 HA SER A 20 31.009 -8.379 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.221 -9.083 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.311 -10.295 -0.697 1.00 0.00 H new ATOM 0 HG SER A 20 33.204 -11.126 -2.670 1.00 0.00 H new ATOM 277 N GLY A 21 28.676 -9.133 -1.879 1.00 0.00 N ATOM 278 CA GLY A 21 27.417 -9.835 -1.699 1.00 0.00 C ATOM 279 C GLY A 21 26.801 -9.594 -0.332 1.00 0.00 C ATOM 280 O GLY A 21 27.478 -9.717 0.690 1.00 0.00 O ATOM 0 H GLY A 21 28.600 -8.240 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.715 -9.517 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.579 -10.904 -1.836 1.00 0.00 H new TER 284 GLY A 21