USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 150 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 Single : A 1 ALA N :NH3+ -165:sc= 1.22 (180deg=1.05) USER MOD Single : A 17 SER OG : rot 90:sc= 1.13 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -32:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.048 4.140 -0.605 1.00 0.00 N ATOM 2 CA ALA A 1 -9.411 4.128 -1.173 1.00 0.00 C ATOM 3 C ALA A 1 -10.201 2.979 -0.538 1.00 0.00 C ATOM 4 O ALA A 1 -10.010 2.769 0.656 1.00 0.00 O ATOM 5 CB ALA A 1 -9.386 4.127 -2.707 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.588 5.046 -0.826 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.101 4.021 0.427 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.494 3.361 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.937 5.050 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.407 4.118 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.874 5.021 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.859 3.241 -3.062 1.00 0.00 H new ATOM 13 N VAL A 2 -11.080 2.275 -1.274 1.00 0.00 N ATOM 14 CA VAL A 2 -12.156 1.471 -0.675 1.00 0.00 C ATOM 15 C VAL A 2 -12.056 -0.028 -1.009 1.00 0.00 C ATOM 16 O VAL A 2 -12.130 -0.844 -0.096 1.00 0.00 O ATOM 17 CB VAL A 2 -13.533 2.068 -1.060 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.686 1.351 -0.341 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.626 3.569 -0.727 1.00 0.00 C ATOM 0 H VAL A 2 -11.064 2.248 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.042 1.523 0.408 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.623 1.927 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.634 1.799 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.683 0.295 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.560 1.449 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.608 3.945 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.480 3.714 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.856 4.112 -1.275 1.00 0.00 H new ATOM 29 N GLY A 3 -11.967 -0.412 -2.291 1.00 0.00 N ATOM 30 CA GLY A 3 -11.803 -1.795 -2.712 1.00 0.00 C ATOM 31 C GLY A 3 -10.338 -2.202 -2.656 1.00 0.00 C ATOM 32 O GLY A 3 -9.676 -2.145 -1.625 1.00 0.00 O ATOM 0 H GLY A 3 -12.008 0.246 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.392 -2.449 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.182 -1.919 -3.726 1.00 0.00 H new ATOM 36 N ILE A 4 -9.792 -2.502 -3.833 1.00 0.00 N ATOM 37 CA ILE A 4 -8.382 -2.882 -3.999 1.00 0.00 C ATOM 38 C ILE A 4 -7.476 -1.717 -3.569 1.00 0.00 C ATOM 39 O ILE A 4 -6.397 -1.911 -3.019 1.00 0.00 O ATOM 40 CB ILE A 4 -8.113 -3.332 -5.456 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.074 -4.449 -5.937 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.652 -3.778 -5.656 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.089 -5.723 -5.079 1.00 0.00 C ATOM 0 H ILE A 4 -10.316 -2.489 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.152 -3.732 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.302 -2.451 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.085 -4.044 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.804 -4.722 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.504 -4.086 -6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.984 -2.949 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.433 -4.615 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.794 -6.439 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.092 -6.162 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.393 -5.473 -4.062 1.00 0.00 H new ATOM 55 N GLY A 5 -7.964 -0.491 -3.759 1.00 0.00 N ATOM 56 CA GLY A 5 -7.330 0.752 -3.369 1.00 0.00 C ATOM 57 C GLY A 5 -7.328 0.977 -1.857 1.00 0.00 C ATOM 58 O GLY A 5 -6.598 1.852 -1.388 1.00 0.00 O ATOM 0 H GLY A 5 -8.863 -0.339 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.302 0.758 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.844 1.582 -3.853 1.00 0.00 H new ATOM 62 N ALA A 6 -8.157 0.261 -1.082 1.00 0.00 N ATOM 63 CA ALA A 6 -7.944 0.142 0.353 1.00 0.00 C ATOM 64 C ALA A 6 -6.694 -0.691 0.615 1.00 0.00 C ATOM 65 O ALA A 6 -5.859 -0.282 1.411 1.00 0.00 O ATOM 66 CB ALA A 6 -9.163 -0.455 1.054 1.00 0.00 C ATOM 0 H ALA A 6 -8.975 -0.239 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.799 1.140 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.968 -0.529 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.029 0.186 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.363 -1.448 0.652 1.00 0.00 H new ATOM 72 N LEU A 7 -6.534 -1.830 -0.072 1.00 0.00 N ATOM 73 CA LEU A 7 -5.407 -2.744 0.132 1.00 0.00 C ATOM 74 C LEU A 7 -4.107 -2.053 -0.256 1.00 0.00 C ATOM 75 O LEU A 7 -3.088 -2.211 0.397 1.00 0.00 O ATOM 76 CB LEU A 7 -5.548 -4.040 -0.695 1.00 0.00 C ATOM 77 CG LEU A 7 -6.967 -4.615 -0.768 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.994 -5.850 -1.675 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.525 -4.981 0.615 1.00 0.00 C ATOM 0 H LEU A 7 -7.188 -2.143 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.400 -3.014 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.199 -3.845 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.888 -4.797 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.603 -3.834 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.008 -6.248 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.671 -5.572 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.322 -6.610 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.532 -5.383 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.883 -5.730 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.556 -4.090 1.242 1.00 0.00 H new ATOM 91 N PHE A 8 -4.163 -1.260 -1.315 1.00 0.00 N ATOM 92 CA PHE A 8 -3.024 -0.577 -1.919 1.00 0.00 C ATOM 93 C PHE A 8 -2.337 0.383 -0.951 1.00 0.00 C ATOM 94 O PHE A 8 -1.122 0.402 -0.791 1.00 0.00 O ATOM 95 CB PHE A 8 -3.591 0.242 -3.069 1.00 0.00 C ATOM 96 CG PHE A 8 -2.611 0.486 -4.197 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.708 1.565 -4.141 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.583 -0.394 -5.296 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.786 1.765 -5.184 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.662 -0.193 -6.338 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.764 0.887 -6.282 1.00 0.00 C ATOM 0 H PHE A 8 -5.039 -1.065 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.282 -1.314 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.467 -0.269 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.931 1.203 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.723 2.239 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.271 -1.225 -5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.094 2.593 -5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.644 -0.868 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.057 1.043 -7.083 1.00 0.00 H new ATOM 111 N LEU A 9 -3.157 1.209 -0.314 1.00 0.00 N ATOM 112 CA LEU A 9 -2.729 2.152 0.701 1.00 0.00 C ATOM 113 C LEU A 9 -2.475 1.378 1.990 1.00 0.00 C ATOM 114 O LEU A 9 -1.567 1.690 2.754 1.00 0.00 O ATOM 115 CB LEU A 9 -3.864 3.186 0.863 1.00 0.00 C ATOM 116 CG LEU A 9 -3.867 3.956 2.194 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.636 4.860 2.348 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.137 4.812 2.288 1.00 0.00 C ATOM 0 H LEU A 9 -4.160 1.239 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.809 2.672 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.797 3.905 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.819 2.672 0.758 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.840 3.219 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.685 5.382 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.732 4.252 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.616 5.589 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.139 5.358 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.161 5.520 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.015 4.167 2.240 1.00 0.00 H new ATOM 130 N GLY A 10 -3.338 0.399 2.232 1.00 0.00 N ATOM 131 CA GLY A 10 -3.582 -0.131 3.569 1.00 0.00 C ATOM 132 C GLY A 10 -2.806 -1.409 3.843 1.00 0.00 C ATOM 133 O GLY A 10 -1.917 -1.427 4.687 1.00 0.00 O ATOM 0 H GLY A 10 -3.891 -0.052 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.309 0.621 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.648 -0.325 3.690 1.00 0.00 H new ATOM 137 N PHE A 11 -3.159 -2.487 3.145 1.00 0.00 N ATOM 138 CA PHE A 11 -2.566 -3.810 3.296 1.00 0.00 C ATOM 139 C PHE A 11 -1.101 -3.803 2.830 1.00 0.00 C ATOM 140 O PHE A 11 -0.203 -4.217 3.563 1.00 0.00 O ATOM 141 CB PHE A 11 -3.426 -4.789 2.475 1.00 0.00 C ATOM 142 CG PHE A 11 -3.043 -6.246 2.633 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.642 -7.029 3.639 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.092 -6.826 1.771 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.293 -8.384 3.781 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.742 -8.180 1.915 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.343 -8.959 2.919 1.00 0.00 C ATOM 0 H PHE A 11 -3.891 -2.460 2.435 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.552 -4.118 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.470 -4.667 2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.355 -4.520 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.371 -6.588 4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.631 -6.229 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.755 -8.983 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.011 -8.622 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.075 -9.999 3.028 1.00 0.00 H new ATOM 157 N LEU A 12 -0.855 -3.256 1.635 1.00 0.00 N ATOM 158 CA LEU A 12 0.464 -3.027 1.060 1.00 0.00 C ATOM 159 C LEU A 12 1.235 -2.021 1.916 1.00 0.00 C ATOM 160 O LEU A 12 2.398 -2.268 2.218 1.00 0.00 O ATOM 161 CB LEU A 12 0.296 -2.593 -0.411 1.00 0.00 C ATOM 162 CG LEU A 12 1.475 -1.812 -1.025 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.760 -2.649 -1.078 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.140 -1.382 -2.462 1.00 0.00 C ATOM 0 H LEU A 12 -1.607 -2.949 1.019 1.00 0.00 H new ATOM 0 HA LEU A 12 1.060 -3.940 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.123 -3.484 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.600 -1.978 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 12 1.638 -0.946 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.562 -2.057 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.041 -2.948 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.590 -3.538 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.982 -0.832 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.944 -2.265 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.257 -0.744 -2.454 1.00 0.00 H new ATOM 176 N GLY A 13 0.600 -0.935 2.374 1.00 0.00 N ATOM 177 CA GLY A 13 1.297 0.047 3.201 1.00 0.00 C ATOM 178 C GLY A 13 1.657 -0.509 4.584 1.00 0.00 C ATOM 179 O GLY A 13 2.745 -0.218 5.080 1.00 0.00 O ATOM 0 H GLY A 13 -0.379 -0.719 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.206 0.367 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.670 0.931 3.319 1.00 0.00 H new ATOM 183 N ALA A 14 0.817 -1.363 5.185 1.00 0.00 N ATOM 184 CA ALA A 14 1.164 -2.104 6.396 1.00 0.00 C ATOM 185 C ALA A 14 2.350 -3.042 6.140 1.00 0.00 C ATOM 186 O ALA A 14 3.246 -3.134 6.976 1.00 0.00 O ATOM 187 CB ALA A 14 -0.051 -2.885 6.909 1.00 0.00 C ATOM 0 H ALA A 14 -0.123 -1.557 4.841 1.00 0.00 H new ATOM 0 HA ALA A 14 1.462 -1.390 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.223 -3.432 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.860 -2.191 7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.381 -3.588 6.144 1.00 0.00 H new ATOM 193 N ALA A 15 2.393 -3.689 4.969 1.00 0.00 N ATOM 194 CA ALA A 15 3.547 -4.446 4.487 1.00 0.00 C ATOM 195 C ALA A 15 4.679 -3.584 3.931 1.00 0.00 C ATOM 196 O ALA A 15 5.542 -4.106 3.226 1.00 0.00 O ATOM 197 CB ALA A 15 3.136 -5.470 3.436 1.00 0.00 C ATOM 0 H ALA A 15 1.607 -3.699 4.318 1.00 0.00 H new ATOM 0 HA ALA A 15 3.936 -4.948 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.016 -6.017 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.419 -6.168 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.678 -4.959 2.589 1.00 0.00 H new ATOM 203 N GLY A 16 4.685 -2.282 4.210 1.00 0.00 N ATOM 204 CA GLY A 16 5.671 -1.335 3.711 1.00 0.00 C ATOM 205 C GLY A 16 6.993 -1.499 4.458 1.00 0.00 C ATOM 206 O GLY A 16 7.518 -0.531 5.009 1.00 0.00 O ATOM 0 H GLY A 16 3.982 -1.847 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.827 -1.492 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.301 -0.317 3.833 1.00 0.00 H new ATOM 210 N SER A 17 7.509 -2.732 4.507 1.00 0.00 N ATOM 211 CA SER A 17 8.774 -3.039 5.154 1.00 0.00 C ATOM 212 C SER A 17 9.926 -2.330 4.433 1.00 0.00 C ATOM 213 O SER A 17 9.926 -2.210 3.209 1.00 0.00 O ATOM 214 CB SER A 17 8.967 -4.560 5.210 1.00 0.00 C ATOM 215 OG SER A 17 8.919 -5.179 3.939 1.00 0.00 O ATOM 0 H SER A 17 7.052 -3.545 4.094 1.00 0.00 H new ATOM 0 HA SER A 17 8.766 -2.669 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.927 -4.780 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.196 -4.994 5.847 1.00 0.00 H new ATOM 0 HG SER A 17 9.819 -5.203 3.553 1.00 0.00 H new ATOM 221 N THR A 18 10.926 -1.873 5.197 1.00 0.00 N ATOM 222 CA THR A 18 12.124 -1.262 4.625 1.00 0.00 C ATOM 223 C THR A 18 12.941 -2.332 3.884 1.00 0.00 C ATOM 224 O THR A 18 13.323 -2.129 2.733 1.00 0.00 O ATOM 225 CB THR A 18 12.890 -0.477 5.712 1.00 0.00 C ATOM 226 OG1 THR A 18 13.934 0.272 5.134 1.00 0.00 O ATOM 227 CG2 THR A 18 13.471 -1.323 6.853 1.00 0.00 C ATOM 0 H THR A 18 10.925 -1.917 6.216 1.00 0.00 H new ATOM 0 HA THR A 18 11.868 -0.517 3.871 1.00 0.00 H new ATOM 0 HB THR A 18 12.132 0.164 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.409 0.765 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.988 -0.674 7.560 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.664 -1.847 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.175 -2.049 6.446 1.00 0.00 H new ATOM 235 N VAL A 19 13.192 -3.486 4.520 1.00 0.00 N ATOM 236 CA VAL A 19 13.447 -4.746 3.829 1.00 0.00 C ATOM 237 C VAL A 19 12.457 -4.959 2.673 1.00 0.00 C ATOM 238 O VAL A 19 11.255 -5.117 2.909 1.00 0.00 O ATOM 239 CB VAL A 19 13.567 -5.944 4.795 1.00 0.00 C ATOM 240 CG1 VAL A 19 14.796 -5.774 5.703 1.00 0.00 C ATOM 241 CG2 VAL A 19 12.343 -6.198 5.689 1.00 0.00 C ATOM 0 H VAL A 19 13.223 -3.565 5.536 1.00 0.00 H new ATOM 0 HA VAL A 19 14.432 -4.678 3.368 1.00 0.00 H new ATOM 0 HB VAL A 19 13.657 -6.810 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.869 -6.626 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.696 -5.719 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.695 -4.857 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.532 -7.061 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.157 -5.321 6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.471 -6.393 5.065 1.00 0.00 H new ATOM 251 N GLY A 20 12.970 -4.963 1.442 1.00 0.00 N ATOM 252 CA GLY A 20 12.282 -5.451 0.253 1.00 0.00 C ATOM 253 C GLY A 20 12.678 -6.902 -0.022 1.00 0.00 C ATOM 254 O GLY A 20 13.429 -7.510 0.746 1.00 0.00 O ATOM 0 H GLY A 20 13.907 -4.614 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.203 -5.380 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.534 -4.828 -0.605 1.00 0.00 H new ATOM 258 N ALA A 21 12.192 -7.450 -1.135 1.00 0.00 N ATOM 259 CA ALA A 21 12.468 -8.799 -1.605 1.00 0.00 C ATOM 260 C ALA A 21 12.787 -8.783 -3.106 1.00 0.00 C ATOM 261 O ALA A 21 12.812 -7.734 -3.747 1.00 0.00 O ATOM 262 CB ALA A 21 11.252 -9.683 -1.286 1.00 0.00 C ATOM 0 H ALA A 21 11.567 -6.939 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 21 13.342 -9.209 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.440 -10.699 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.081 -9.691 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.371 -9.286 -1.790 1.00 0.00 H new ATOM 268 N ALA A 22 12.987 -9.969 -3.693 1.00 0.00 N ATOM 269 CA ALA A 22 13.250 -10.125 -5.123 1.00 0.00 C ATOM 270 C ALA A 22 12.083 -9.610 -5.980 1.00 0.00 C ATOM 271 O ALA A 22 12.295 -9.194 -7.116 1.00 0.00 O ATOM 272 CB ALA A 22 13.532 -11.601 -5.427 1.00 0.00 C ATOM 0 H ALA A 22 12.970 -10.852 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 22 14.122 -9.524 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.729 -11.722 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.401 -11.930 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.667 -12.202 -5.147 1.00 0.00 H new ATOM 278 N SER A 23 10.857 -9.650 -5.445 1.00 0.00 N ATOM 279 CA SER A 23 9.663 -9.112 -6.086 1.00 0.00 C ATOM 280 C SER A 23 9.559 -7.578 -6.008 1.00 0.00 C ATOM 281 O SER A 23 8.636 -7.046 -6.630 1.00 0.00 O ATOM 282 CB SER A 23 8.417 -9.755 -5.465 1.00 0.00 C ATOM 283 OG SER A 23 7.267 -9.364 -6.187 1.00 0.00 O ATOM 0 H SER A 23 10.669 -10.068 -4.534 1.00 0.00 H new ATOM 0 HA SER A 23 9.735 -9.358 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.513 -10.841 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.323 -9.454 -4.422 1.00 0.00 H new ATOM 0 HG SER A 23 7.391 -8.455 -6.533 1.00 0.00 H new ATOM 289 N GLY A 24 10.402 -6.891 -5.226 1.00 0.00 N ATOM 290 CA GLY A 24 10.262 -5.476 -4.907 1.00 0.00 C ATOM 291 C GLY A 24 9.827 -5.316 -3.459 1.00 0.00 C ATOM 292 O GLY A 24 10.379 -6.054 -2.612 1.00 0.00 O ATOM 0 H GLY A 24 11.218 -7.320 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.209 -4.961 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.530 -5.015 -5.570 1.00 0.00 H new TER 296 GLY A 24