USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=5 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 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) USER MOD Single : A -1 GLY N :NH3+ 154:sc= 0 (180deg=-0.0627) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -77:sc= -0.148 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.357 -8.568 -0.462 1.00 0.00 N ATOM 2 CA GLY A -1 24.008 -8.067 -0.707 1.00 0.00 C ATOM 3 C GLY A -1 23.675 -6.807 0.084 1.00 0.00 C ATOM 4 O GLY A -1 23.891 -5.694 -0.401 1.00 0.00 O ATOM 0 H1 GLY A -1 25.385 -9.592 -0.644 1.00 0.00 H new ATOM 0 H2 GLY A -1 26.027 -8.085 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.894 -7.860 -1.771 1.00 0.00 H new ATOM 0 HA3 GLY A -1 23.288 -8.846 -0.455 1.00 0.00 H new ATOM 8 N ASP A 1 23.145 -6.983 1.302 1.00 0.00 N ATOM 9 CA ASP A 1 22.778 -5.853 2.163 1.00 0.00 C ATOM 10 C ASP A 1 23.982 -4.959 2.467 1.00 0.00 C ATOM 11 O ASP A 1 23.833 -3.746 2.625 1.00 0.00 O ATOM 12 CB ASP A 1 22.160 -6.358 3.473 1.00 0.00 C ATOM 13 CG ASP A 1 23.106 -7.241 4.268 1.00 0.00 C ATOM 14 OD1 ASP A 1 23.112 -8.468 4.034 1.00 0.00 O ATOM 15 OD2 ASP A 1 23.840 -6.706 5.126 1.00 0.00 O ATOM 0 H ASP A 1 22.961 -7.898 1.713 1.00 0.00 H new ATOM 0 HA ASP A 1 22.043 -5.256 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 1 21.867 -5.504 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 1 21.251 -6.916 3.249 1.00 0.00 H new ATOM 20 N ALA A 2 25.172 -5.562 2.546 1.00 0.00 N ATOM 21 CA ALA A 2 26.399 -4.815 2.827 1.00 0.00 C ATOM 22 C ALA A 2 26.619 -3.700 1.802 1.00 0.00 C ATOM 23 O ALA A 2 27.074 -2.609 2.153 1.00 0.00 O ATOM 24 CB ALA A 2 27.602 -5.749 2.859 1.00 0.00 C ATOM 0 H ALA A 2 25.310 -6.565 2.419 1.00 0.00 H new ATOM 0 HA ALA A 2 26.288 -4.354 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.504 -5.174 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.460 -6.499 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.704 -6.244 1.893 1.00 0.00 H new ATOM 30 N TYR A 3 26.285 -3.978 0.539 1.00 0.00 N ATOM 31 CA TYR A 3 26.440 -2.996 -0.535 1.00 0.00 C ATOM 32 C TYR A 3 25.413 -1.869 -0.407 1.00 0.00 C ATOM 33 O TYR A 3 25.699 -0.724 -0.764 1.00 0.00 O ATOM 34 CB TYR A 3 26.313 -3.675 -1.902 1.00 0.00 C ATOM 35 CG TYR A 3 26.774 -2.812 -3.056 1.00 0.00 C ATOM 36 CD1 TYR A 3 28.128 -2.595 -3.298 1.00 0.00 C ATOM 37 CD2 TYR A 3 25.854 -2.214 -3.909 1.00 0.00 C ATOM 38 CE1 TYR A 3 28.546 -1.808 -4.353 1.00 0.00 C ATOM 39 CE2 TYR A 3 26.267 -1.427 -4.966 1.00 0.00 C ATOM 40 CZ TYR A 3 27.612 -1.227 -5.184 1.00 0.00 C ATOM 41 OH TYR A 3 28.027 -0.442 -6.237 1.00 0.00 O ATOM 0 H TYR A 3 25.906 -4.875 0.236 1.00 0.00 H new ATOM 0 HA TYR A 3 27.435 -2.559 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.894 -4.597 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 3 25.272 -3.955 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.863 -3.049 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.798 -2.367 -3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 3 29.600 -1.648 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.538 -0.970 -5.619 1.00 0.00 H new ATOM 0 HH TYR A 3 27.245 -0.109 -6.725 1.00 0.00 H new ATOM 51 N ALA A 4 24.223 -2.193 0.110 1.00 0.00 N ATOM 52 CA ALA A 4 23.166 -1.199 0.292 1.00 0.00 C ATOM 53 C ALA A 4 23.637 -0.064 1.201 1.00 0.00 C ATOM 54 O ALA A 4 23.464 1.112 0.878 1.00 0.00 O ATOM 55 CB ALA A 4 21.912 -1.851 0.860 1.00 0.00 C ATOM 0 H ALA A 4 23.970 -3.135 0.409 1.00 0.00 H new ATOM 0 HA ALA A 4 22.926 -0.776 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.136 -1.096 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.559 -2.621 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 4 22.142 -2.303 1.825 1.00 0.00 H new ATOM 61 N GLN A 5 24.247 -0.428 2.334 1.00 0.00 N ATOM 62 CA GLN A 5 24.761 0.558 3.286 1.00 0.00 C ATOM 63 C GLN A 5 25.965 1.296 2.703 1.00 0.00 C ATOM 64 O GLN A 5 26.131 2.497 2.919 1.00 0.00 O ATOM 65 CB GLN A 5 25.154 -0.122 4.601 1.00 0.00 C ATOM 66 CG GLN A 5 23.965 -0.576 5.432 1.00 0.00 C ATOM 67 CD GLN A 5 24.334 -1.650 6.437 1.00 0.00 C ATOM 68 OE1 GLN A 5 24.255 -2.843 6.142 1.00 0.00 O ATOM 69 NE2 GLN A 5 24.741 -1.234 7.633 1.00 0.00 N ATOM 0 H GLN A 5 24.396 -1.398 2.613 1.00 0.00 H new ATOM 0 HA GLN A 5 23.970 1.282 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.783 -0.985 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 5 25.756 0.569 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 5 23.546 0.281 5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 5 23.187 -0.955 4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 5 24.792 -0.236 7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 5 25.002 -1.913 8.348 1.00 0.00 H new ATOM 78 N TRP A 6 26.795 0.565 1.953 1.00 0.00 N ATOM 79 CA TRP A 6 27.982 1.135 1.319 1.00 0.00 C ATOM 80 C TRP A 6 27.598 2.292 0.392 1.00 0.00 C ATOM 81 O TRP A 6 28.245 3.340 0.398 1.00 0.00 O ATOM 82 CB TRP A 6 28.726 0.045 0.540 1.00 0.00 C ATOM 83 CG TRP A 6 30.021 0.499 -0.066 1.00 0.00 C ATOM 84 CD1 TRP A 6 31.218 0.660 0.570 1.00 0.00 C ATOM 85 CD2 TRP A 6 30.247 0.839 -1.436 1.00 0.00 C ATOM 86 NE1 TRP A 6 32.170 1.091 -0.321 1.00 0.00 N ATOM 87 CE2 TRP A 6 31.598 1.206 -1.561 1.00 0.00 C ATOM 88 CE3 TRP A 6 29.434 0.870 -2.570 1.00 0.00 C ATOM 89 CZ2 TRP A 6 32.153 1.599 -2.776 1.00 0.00 C ATOM 90 CZ3 TRP A 6 29.986 1.259 -3.775 1.00 0.00 C ATOM 91 CH2 TRP A 6 31.335 1.618 -3.867 1.00 0.00 C ATOM 0 H TRP A 6 26.663 -0.430 1.771 1.00 0.00 H new ATOM 0 HA TRP A 6 28.640 1.529 2.094 1.00 0.00 H new ATOM 0 HB2 TRP A 6 28.924 -0.793 1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 6 28.077 -0.327 -0.253 1.00 0.00 H new ATOM 0 HD1 TRP A 6 31.391 0.475 1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 6 33.144 1.293 -0.096 1.00 0.00 H new ATOM 0 HE3 TRP A 6 28.392 0.595 -2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 33.193 1.879 -2.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 29.367 1.286 -4.659 1.00 0.00 H new ATOM 0 HH2 TRP A 6 31.738 1.917 -4.824 1.00 0.00 H new ATOM 102 N LEU A 7 26.528 2.099 -0.386 1.00 0.00 N ATOM 103 CA LEU A 7 26.041 3.132 -1.301 1.00 0.00 C ATOM 104 C LEU A 7 25.490 4.322 -0.516 1.00 0.00 C ATOM 105 O LEU A 7 25.732 5.477 -0.873 1.00 0.00 O ATOM 106 CB LEU A 7 24.943 2.569 -2.213 1.00 0.00 C ATOM 107 CG LEU A 7 25.418 1.629 -3.326 1.00 0.00 C ATOM 108 CD1 LEU A 7 24.225 1.013 -4.043 1.00 0.00 C ATOM 109 CD2 LEU A 7 26.315 2.362 -4.320 1.00 0.00 C ATOM 0 H LEU A 7 25.984 1.236 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 7 26.879 3.464 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.222 2.034 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.413 3.404 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 7 26.004 0.832 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.578 0.348 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.625 0.446 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.616 1.804 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.637 1.670 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 7 25.761 3.185 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.189 2.755 -3.800 1.00 0.00 H new ATOM 121 N ALA A 8 24.752 4.027 0.560 1.00 0.00 N ATOM 122 CA ALA A 8 24.166 5.064 1.410 1.00 0.00 C ATOM 123 C ALA A 8 25.240 5.933 2.069 1.00 0.00 C ATOM 124 O ALA A 8 24.983 7.088 2.413 1.00 0.00 O ATOM 125 CB ALA A 8 23.270 4.437 2.467 1.00 0.00 C ATOM 0 H ALA A 8 24.547 3.074 0.862 1.00 0.00 H new ATOM 0 HA ALA A 8 23.565 5.712 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.841 5.220 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.468 3.881 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.858 3.760 3.087 1.00 0.00 H new ATOM 131 N ASP A 9 26.444 5.376 2.236 1.00 0.00 N ATOM 132 CA ASP A 9 27.555 6.108 2.846 1.00 0.00 C ATOM 133 C ASP A 9 28.338 6.919 1.803 1.00 0.00 C ATOM 134 O ASP A 9 29.474 7.328 2.055 1.00 0.00 O ATOM 135 CB ASP A 9 28.493 5.132 3.563 1.00 0.00 C ATOM 136 CG ASP A 9 29.086 5.718 4.830 1.00 0.00 C ATOM 137 OD1 ASP A 9 28.412 5.665 5.881 1.00 0.00 O ATOM 138 OD2 ASP A 9 30.224 6.231 4.773 1.00 0.00 O ATOM 0 H ASP A 9 26.672 4.422 1.957 1.00 0.00 H new ATOM 0 HA ASP A 9 27.137 6.809 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.946 4.222 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.299 4.846 2.887 1.00 0.00 H new ATOM 143 N GLY A 10 27.728 7.152 0.635 1.00 0.00 N ATOM 144 CA GLY A 10 28.385 7.908 -0.417 1.00 0.00 C ATOM 145 C GLY A 10 29.187 7.035 -1.369 1.00 0.00 C ATOM 146 O GLY A 10 29.995 7.549 -2.146 1.00 0.00 O ATOM 0 H GLY A 10 26.789 6.828 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.634 8.458 -0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 10 29.048 8.646 0.034 1.00 0.00 H new ATOM 150 N GLY A 11 28.970 5.714 -1.315 1.00 0.00 N ATOM 151 CA GLY A 11 29.692 4.801 -2.188 1.00 0.00 C ATOM 152 C GLY A 11 31.200 4.940 -2.046 1.00 0.00 C ATOM 153 O GLY A 11 31.712 4.924 -0.927 1.00 0.00 O ATOM 0 H GLY A 11 28.308 5.266 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.400 3.776 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.408 4.990 -3.223 1.00 0.00 H new ATOM 157 N PRO A 12 31.947 5.087 -3.165 1.00 0.00 N ATOM 158 CA PRO A 12 33.412 5.240 -3.128 1.00 0.00 C ATOM 159 C PRO A 12 33.874 6.313 -2.137 1.00 0.00 C ATOM 160 O PRO A 12 34.931 6.181 -1.520 1.00 0.00 O ATOM 161 CB PRO A 12 33.760 5.666 -4.559 1.00 0.00 C ATOM 162 CG PRO A 12 32.671 5.101 -5.398 1.00 0.00 C ATOM 163 CD PRO A 12 31.428 5.118 -4.549 1.00 0.00 C ATOM 0 HA PRO A 12 33.901 4.322 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 12 33.806 6.751 -4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.733 5.280 -4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.531 5.692 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 12 32.911 4.086 -5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.830 6.011 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.790 4.259 -4.756 1.00 0.00 H new ATOM 171 N SER A 13 33.075 7.378 -1.997 1.00 0.00 N ATOM 172 CA SER A 13 33.394 8.483 -1.088 1.00 0.00 C ATOM 173 C SER A 13 33.622 7.991 0.345 1.00 0.00 C ATOM 174 O SER A 13 34.494 8.505 1.048 1.00 0.00 O ATOM 175 CB SER A 13 32.274 9.526 -1.102 1.00 0.00 C ATOM 176 OG SER A 13 32.027 9.996 -2.417 1.00 0.00 O ATOM 0 H SER A 13 32.199 7.497 -2.505 1.00 0.00 H new ATOM 0 HA SER A 13 34.319 8.938 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 13 31.363 9.091 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 13 32.545 10.363 -0.459 1.00 0.00 H new ATOM 0 HG SER A 13 31.306 10.660 -2.397 1.00 0.00 H new ATOM 182 N SER A 14 32.834 6.999 0.770 1.00 0.00 N ATOM 183 CA SER A 14 32.946 6.439 2.116 1.00 0.00 C ATOM 184 C SER A 14 34.383 6.011 2.432 1.00 0.00 C ATOM 185 O SER A 14 34.864 6.216 3.549 1.00 0.00 O ATOM 186 CB SER A 14 31.995 5.248 2.271 1.00 0.00 C ATOM 187 OG SER A 14 32.474 4.109 1.575 1.00 0.00 O ATOM 0 H SER A 14 32.109 6.567 0.197 1.00 0.00 H new ATOM 0 HA SER A 14 32.668 7.218 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 14 31.879 5.008 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 14 31.008 5.517 1.895 1.00 0.00 H new ATOM 0 HG SER A 14 32.302 4.216 0.616 1.00 0.00 H new ATOM 193 N GLY A 15 35.062 5.418 1.446 1.00 0.00 N ATOM 194 CA GLY A 15 36.433 4.973 1.641 1.00 0.00 C ATOM 195 C GLY A 15 36.553 3.460 1.721 1.00 0.00 C ATOM 196 O GLY A 15 37.492 2.882 1.168 1.00 0.00 O ATOM 0 H GLY A 15 34.684 5.239 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.050 5.339 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.827 5.414 2.557 1.00 0.00 H new ATOM 200 N ARG A 16 35.601 2.817 2.404 1.00 0.00 N ATOM 201 CA ARG A 16 35.607 1.358 2.548 1.00 0.00 C ATOM 202 C ARG A 16 35.417 0.673 1.192 1.00 0.00 C ATOM 203 O ARG A 16 34.836 1.255 0.274 1.00 0.00 O ATOM 204 CB ARG A 16 34.514 0.887 3.524 1.00 0.00 C ATOM 205 CG ARG A 16 33.235 1.714 3.497 1.00 0.00 C ATOM 206 CD ARG A 16 33.111 2.595 4.731 1.00 0.00 C ATOM 207 NE ARG A 16 32.371 1.931 5.806 1.00 0.00 N ATOM 208 CZ ARG A 16 32.529 2.202 7.105 1.00 0.00 C ATOM 209 NH1 ARG A 16 33.388 3.137 7.504 1.00 0.00 N ATOM 210 NH2 ARG A 16 31.818 1.537 8.010 1.00 0.00 N ATOM 0 H ARG A 16 34.819 3.282 2.865 1.00 0.00 H new ATOM 0 HA ARG A 16 36.579 1.078 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 16 34.265 -0.149 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 16 34.919 0.902 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.222 2.336 2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.373 1.050 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 16 34.106 2.863 5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 16 32.607 3.524 4.464 1.00 0.00 H new ATOM 0 HE ARG A 16 31.691 1.216 5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 16 33.934 3.655 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 16 33.500 3.335 8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 16 31.154 0.822 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 16 31.936 1.742 9.002 1.00 0.00 H new ATOM 224 N PRO A 17 35.903 -0.577 1.049 1.00 0.00 N ATOM 225 CA PRO A 17 35.777 -1.336 -0.202 1.00 0.00 C ATOM 226 C PRO A 17 34.352 -1.839 -0.428 1.00 0.00 C ATOM 227 O PRO A 17 33.638 -2.140 0.530 1.00 0.00 O ATOM 228 CB PRO A 17 36.734 -2.511 0.005 1.00 0.00 C ATOM 229 CG PRO A 17 36.760 -2.717 1.479 1.00 0.00 C ATOM 230 CD PRO A 17 36.610 -1.351 2.092 1.00 0.00 C ATOM 0 HA PRO A 17 36.008 -0.730 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.385 -3.403 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 17 37.728 -2.286 -0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.952 -3.377 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.694 -3.184 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 17 36.039 -1.388 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.578 -0.910 2.331 1.00 0.00 H new ATOM 238 N PRO A 18 33.916 -1.938 -1.701 1.00 0.00 N ATOM 239 CA PRO A 18 32.566 -2.408 -2.046 1.00 0.00 C ATOM 240 C PRO A 18 32.328 -3.862 -1.624 1.00 0.00 C ATOM 241 O PRO A 18 32.866 -4.788 -2.236 1.00 0.00 O ATOM 242 CB PRO A 18 32.515 -2.279 -3.579 1.00 0.00 C ATOM 243 CG PRO A 18 33.941 -2.263 -4.011 1.00 0.00 C ATOM 244 CD PRO A 18 34.703 -1.598 -2.900 1.00 0.00 C ATOM 0 HA PRO A 18 31.796 -1.832 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.976 -3.113 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 18 32.000 -1.367 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.308 -3.275 -4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 18 34.059 -1.717 -4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 18 35.724 -1.973 -2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.769 -0.520 -3.046 1.00 0.00 H new ATOM 252 N PRO A 19 31.511 -4.082 -0.573 1.00 0.00 N ATOM 253 CA PRO A 19 31.198 -5.429 -0.076 1.00 0.00 C ATOM 254 C PRO A 19 30.339 -6.220 -1.061 1.00 0.00 C ATOM 255 O PRO A 19 29.621 -5.640 -1.878 1.00 0.00 O ATOM 256 CB PRO A 19 30.404 -5.180 1.220 1.00 0.00 C ATOM 257 CG PRO A 19 30.551 -3.725 1.517 1.00 0.00 C ATOM 258 CD PRO A 19 30.825 -3.046 0.207 1.00 0.00 C ATOM 0 HA PRO A 19 32.104 -6.016 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.355 -5.449 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.792 -5.787 2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.645 -3.330 1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.366 -3.553 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.905 -2.721 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.448 -2.161 0.335 1.00 0.00 H new ATOM 266 N SER A 20 30.413 -7.547 -0.970 1.00 0.00 N ATOM 267 CA SER A 20 29.642 -8.425 -1.843 1.00 0.00 C ATOM 268 C SER A 20 28.624 -9.252 -1.047 1.00 0.00 C ATOM 269 O SER A 20 28.271 -10.365 -1.446 1.00 0.00 O ATOM 270 CB SER A 20 30.591 -9.345 -2.616 1.00 0.00 C ATOM 271 OG SER A 20 31.108 -10.371 -1.785 1.00 0.00 O ATOM 0 H SER A 20 31.002 -8.037 -0.297 1.00 0.00 H new ATOM 0 HA SER A 20 29.085 -7.807 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.063 -9.789 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.413 -8.759 -3.028 1.00 0.00 H new ATOM 0 HG SER A 20 31.709 -10.943 -2.307 1.00 0.00 H new ATOM 277 N GLY A 21 28.154 -8.706 0.081 1.00 0.00 N ATOM 278 CA GLY A 21 27.190 -9.416 0.908 1.00 0.00 C ATOM 279 C GLY A 21 25.769 -8.889 0.772 1.00 0.00 C ATOM 280 O GLY A 21 25.052 -8.790 1.768 1.00 0.00 O ATOM 0 H GLY A 21 28.425 -7.788 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.204 -10.473 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.497 -9.346 1.952 1.00 0.00 H new TER 284 GLY A 21