USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=0 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 7 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.00512 X(o=-0.0051,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 5.417 8.842 5.875 1.00 0.00 N ATOM 36 CA ASP A 3 6.352 7.720 5.792 1.00 0.00 C ATOM 37 C ASP A 3 5.635 6.403 5.990 1.00 0.00 C ATOM 38 O ASP A 3 5.393 5.632 5.054 1.00 0.00 O ATOM 39 CB ASP A 3 7.538 7.882 6.782 1.00 0.00 C ATOM 40 CG ASP A 3 8.889 7.307 6.332 1.00 0.00 C ATOM 41 OD1 ASP A 3 9.431 7.621 5.283 1.00 0.00 O ATOM 42 OD2 ASP A 3 9.399 6.396 7.216 1.00 0.00 O ATOM 0 HA ASP A 3 6.777 7.719 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.670 8.945 6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.263 7.409 7.725 1.00 0.00 H new ATOM 47 N GLU A 4 5.296 6.112 7.232 1.00 0.00 N ATOM 48 CA GLU A 4 4.692 4.832 7.596 1.00 0.00 C ATOM 49 C GLU A 4 3.308 4.681 7.009 1.00 0.00 C ATOM 50 O GLU A 4 2.836 3.568 6.739 1.00 0.00 O ATOM 51 CB GLU A 4 4.656 4.730 9.148 1.00 0.00 C ATOM 52 CG GLU A 4 6.029 4.738 9.898 1.00 0.00 C ATOM 53 CD GLU A 4 6.348 3.577 10.843 1.00 0.00 C ATOM 54 OE1 GLU A 4 5.867 2.459 10.710 1.00 0.00 O ATOM 55 OE2 GLU A 4 7.214 3.904 11.841 1.00 0.00 O ATOM 0 H GLU A 4 5.428 6.749 8.018 1.00 0.00 H new ATOM 0 HA GLU A 4 5.293 4.021 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.059 5.560 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.131 3.812 9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.818 4.781 9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.087 5.661 10.475 1.00 0.00 H new ATOM 62 N LEU A 5 2.620 5.791 6.818 1.00 0.00 N ATOM 63 CA LEU A 5 1.234 5.769 6.357 1.00 0.00 C ATOM 64 C LEU A 5 1.152 5.577 4.862 1.00 0.00 C ATOM 65 O LEU A 5 0.199 4.992 4.332 1.00 0.00 O ATOM 66 CB LEU A 5 0.496 7.068 6.791 1.00 0.00 C ATOM 67 CG LEU A 5 0.303 7.324 8.311 1.00 0.00 C ATOM 68 CD1 LEU A 5 0.875 8.697 8.690 1.00 0.00 C ATOM 69 CD2 LEU A 5 -1.170 7.242 8.745 1.00 0.00 C ATOM 0 H LEU A 5 2.996 6.726 6.974 1.00 0.00 H new ATOM 0 HA LEU A 5 0.739 4.917 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.041 7.916 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.490 7.064 6.325 1.00 0.00 H new ATOM 0 HG LEU A 5 0.841 6.534 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.735 8.867 9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.939 8.726 8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.358 9.474 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.245 7.429 9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.751 7.990 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.560 6.249 8.522 1.00 0.00 H new ATOM 81 N ARG A 6 2.152 6.061 4.151 1.00 0.00 N ATOM 82 CA ARG A 6 2.236 5.891 2.703 1.00 0.00 C ATOM 83 C ARG A 6 2.544 4.458 2.339 1.00 0.00 C ATOM 84 O ARG A 6 1.988 3.887 1.396 1.00 0.00 O ATOM 85 CB ARG A 6 3.323 6.858 2.151 1.00 0.00 C ATOM 86 CG ARG A 6 3.335 7.020 0.608 1.00 0.00 C ATOM 87 CD ARG A 6 4.190 5.953 -0.089 1.00 0.00 C ATOM 88 NE ARG A 6 3.578 5.648 -1.408 1.00 0.00 N ATOM 89 CZ ARG A 6 4.193 5.731 -2.580 1.00 0.00 C ATOM 90 NH1 ARG A 6 5.430 6.101 -2.734 1.00 0.00 N ATOM 91 NH2 ARG A 6 3.515 5.424 -3.629 1.00 0.00 N ATOM 0 H ARG A 6 2.930 6.583 4.554 1.00 0.00 H new ATOM 0 HA ARG A 6 1.273 6.131 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.178 7.839 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.302 6.501 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.313 6.965 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.715 8.009 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.211 6.311 -0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.243 5.052 0.522 1.00 0.00 H new ATOM 0 HE ARG A 6 2.603 5.350 -1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.993 6.351 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.838 6.142 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.542 5.130 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.950 5.474 -4.550 1.00 0.00 H new ATOM 105 N GLN A 7 3.458 3.860 3.078 1.00 0.00 N ATOM 106 CA GLN A 7 3.834 2.462 2.881 1.00 0.00 C ATOM 107 C GLN A 7 2.684 1.534 3.195 1.00 0.00 C ATOM 108 O GLN A 7 2.588 0.417 2.672 1.00 0.00 O ATOM 109 CB GLN A 7 5.058 2.148 3.770 1.00 0.00 C ATOM 110 CG GLN A 7 4.775 1.651 5.226 1.00 0.00 C ATOM 111 CD GLN A 7 5.787 0.719 5.907 1.00 0.00 C ATOM 112 OE1 GLN A 7 6.032 0.817 7.099 1.00 0.00 O ATOM 113 NE2 GLN A 7 6.420 -0.184 5.202 1.00 0.00 N ATOM 0 H GLN A 7 3.964 4.324 3.833 1.00 0.00 H new ATOM 0 HA GLN A 7 4.092 2.303 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.657 1.390 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.670 3.048 3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.663 2.532 5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.812 1.140 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.228 -0.280 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.106 -0.792 5.650 1.00 0.00 H new ATOM 122 N ARG A 8 1.798 1.972 4.068 1.00 0.00 N ATOM 123 CA ARG A 8 0.578 1.228 4.377 1.00 0.00 C ATOM 124 C ARG A 8 -0.313 1.143 3.161 1.00 0.00 C ATOM 125 O ARG A 8 -0.917 0.111 2.852 1.00 0.00 O ATOM 126 CB ARG A 8 -0.146 1.932 5.559 1.00 0.00 C ATOM 127 CG ARG A 8 -1.420 1.218 6.077 1.00 0.00 C ATOM 128 CD ARG A 8 -2.242 2.095 7.031 1.00 0.00 C ATOM 129 NE ARG A 8 -3.582 2.313 6.429 1.00 0.00 N ATOM 130 CZ ARG A 8 -4.738 2.233 7.074 1.00 0.00 C ATOM 131 NH1 ARG A 8 -4.855 1.943 8.336 1.00 0.00 N ATOM 132 NH2 ARG A 8 -5.810 2.457 6.401 1.00 0.00 N ATOM 0 H ARG A 8 1.896 2.847 4.584 1.00 0.00 H new ATOM 0 HA ARG A 8 0.828 0.207 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.557 2.031 6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.416 2.941 5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.041 0.930 5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.134 0.299 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.337 1.612 8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.741 3.049 7.196 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.616 2.544 5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.023 1.759 8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.779 1.899 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.751 2.686 5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.720 2.406 6.859 1.00 0.00 H new ATOM 146 N LEU A 9 -0.400 2.248 2.440 1.00 0.00 N ATOM 147 CA LEU A 9 -1.129 2.295 1.175 1.00 0.00 C ATOM 148 C LEU A 9 -0.474 1.423 0.130 1.00 0.00 C ATOM 149 O LEU A 9 -1.117 0.942 -0.810 1.00 0.00 O ATOM 150 CB LEU A 9 -1.252 3.762 0.673 1.00 0.00 C ATOM 151 CG LEU A 9 -2.466 4.601 1.157 1.00 0.00 C ATOM 152 CD1 LEU A 9 -3.340 5.004 -0.040 1.00 0.00 C ATOM 153 CD2 LEU A 9 -3.322 3.864 2.198 1.00 0.00 C ATOM 0 H LEU A 9 0.028 3.134 2.709 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.131 1.903 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.344 4.291 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.274 3.741 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.062 5.490 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.188 5.592 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.750 5.598 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.703 4.108 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.155 4.499 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.707 2.941 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.712 3.628 3.070 1.00 0.00 H new ATOM 165 N ALA A 10 0.823 1.218 0.262 1.00 0.00 N ATOM 166 CA ALA A 10 1.577 0.369 -0.658 1.00 0.00 C ATOM 167 C ALA A 10 1.237 -1.088 -0.458 1.00 0.00 C ATOM 168 O ALA A 10 1.266 -1.899 -1.391 1.00 0.00 O ATOM 169 CB ALA A 10 3.074 0.662 -0.451 1.00 0.00 C ATOM 0 H ALA A 10 1.387 1.631 1.005 1.00 0.00 H new ATOM 0 HA ALA A 10 1.311 0.593 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.663 0.041 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.271 1.713 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.349 0.439 0.580 1.00 0.00 H new ATOM 175 N ALA A 11 0.927 -1.450 0.772 1.00 0.00 N ATOM 176 CA ALA A 11 0.620 -2.836 1.122 1.00 0.00 C ATOM 177 C ALA A 11 -0.711 -3.261 0.549 1.00 0.00 C ATOM 178 O ALA A 11 -0.930 -4.426 0.202 1.00 0.00 O ATOM 179 CB ALA A 11 0.669 -2.957 2.657 1.00 0.00 C ATOM 0 H ALA A 11 0.879 -0.801 1.557 1.00 0.00 H new ATOM 0 HA ALA A 11 1.356 -3.513 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.443 -3.983 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.664 -2.690 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.066 -2.284 3.099 1.00 0.00 H new ATOM 185 N ARG A 12 -1.619 -2.313 0.425 1.00 0.00 N ATOM 186 CA ARG A 12 -2.919 -2.555 -0.199 1.00 0.00 C ATOM 187 C ARG A 12 -2.762 -2.770 -1.686 1.00 0.00 C ATOM 188 O ARG A 12 -3.323 -3.689 -2.290 1.00 0.00 O ATOM 189 CB ARG A 12 -3.841 -1.341 0.102 1.00 0.00 C ATOM 190 CG ARG A 12 -5.304 -1.470 -0.395 1.00 0.00 C ATOM 191 CD ARG A 12 -6.203 -2.210 0.605 1.00 0.00 C ATOM 192 NE ARG A 12 -7.618 -1.973 0.221 1.00 0.00 N ATOM 193 CZ ARG A 12 -8.295 -2.663 -0.687 1.00 0.00 C ATOM 194 NH1 ARG A 12 -7.803 -3.650 -1.376 1.00 0.00 N ATOM 195 NH2 ARG A 12 -9.519 -2.327 -0.896 1.00 0.00 N ATOM 0 H ARG A 12 -1.484 -1.356 0.750 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.368 -3.460 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.856 -1.177 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.400 -0.452 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.711 -0.475 -0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.315 -1.999 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.981 -3.277 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.019 -1.853 1.618 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.110 -1.216 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.835 -3.939 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.385 -4.135 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.933 -1.556 -0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.076 -2.832 -1.586 1.00 0.00 H new ATOM 209 N LEU A 13 -1.992 -1.893 -2.308 1.00 0.00 N ATOM 210 CA LEU A 13 -1.642 -2.023 -3.719 1.00 0.00 C ATOM 211 C LEU A 13 -1.045 -3.379 -4.016 1.00 0.00 C ATOM 212 O LEU A 13 -1.198 -3.933 -5.109 1.00 0.00 O ATOM 213 CB LEU A 13 -0.663 -0.889 -4.140 1.00 0.00 C ATOM 214 CG LEU A 13 0.240 -1.129 -5.380 1.00 0.00 C ATOM 215 CD1 LEU A 13 -0.547 -1.118 -6.701 1.00 0.00 C ATOM 216 CD2 LEU A 13 1.356 -0.077 -5.433 1.00 0.00 C ATOM 0 H LEU A 13 -1.591 -1.072 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.558 -1.930 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.252 0.009 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.014 -0.676 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 13 0.670 -2.124 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.136 -1.291 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.301 -1.904 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.034 -0.151 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.983 -0.255 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.915 0.918 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.963 -0.145 -4.531 1.00 0.00 H new ATOM 228 N GLU A 14 -0.335 -3.928 -3.049 1.00 0.00 N ATOM 229 CA GLU A 14 0.393 -5.181 -3.228 1.00 0.00 C ATOM 230 C GLU A 14 -0.562 -6.347 -3.331 1.00 0.00 C ATOM 231 O GLU A 14 -0.375 -7.288 -4.107 1.00 0.00 O ATOM 232 CB GLU A 14 1.370 -5.364 -2.029 1.00 0.00 C ATOM 233 CG GLU A 14 2.399 -6.539 -2.104 1.00 0.00 C ATOM 234 CD GLU A 14 3.320 -6.776 -0.905 1.00 0.00 C ATOM 235 OE1 GLU A 14 3.619 -5.895 -0.109 1.00 0.00 O ATOM 236 OE2 GLU A 14 3.774 -8.057 -0.807 1.00 0.00 O ATOM 0 H GLU A 14 -0.243 -3.523 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 14 0.961 -5.146 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.929 -4.436 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.773 -5.498 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.841 -7.458 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.028 -6.374 -2.979 1.00 0.00 H new ATOM 243 N ALA A 15 -1.605 -6.304 -2.519 1.00 0.00 N ATOM 244 CA ALA A 15 -2.607 -7.366 -2.488 1.00 0.00 C ATOM 245 C ALA A 15 -3.408 -7.386 -3.768 1.00 0.00 C ATOM 246 O ALA A 15 -3.832 -8.436 -4.262 1.00 0.00 O ATOM 247 CB ALA A 15 -3.485 -7.151 -1.242 1.00 0.00 C ATOM 0 H ALA A 15 -1.784 -5.541 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.132 -8.345 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.244 -7.932 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.864 -7.192 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.970 -6.177 -1.302 1.00 0.00 H new ATOM 253 N LEU A 16 -3.643 -6.210 -4.320 1.00 0.00 N ATOM 254 CA LEU A 16 -4.495 -6.057 -5.497 1.00 0.00 C ATOM 255 C LEU A 16 -3.776 -6.448 -6.766 1.00 0.00 C ATOM 256 O LEU A 16 -4.374 -6.952 -7.724 1.00 0.00 O ATOM 257 CB LEU A 16 -5.026 -4.596 -5.592 1.00 0.00 C ATOM 258 CG LEU A 16 -6.023 -4.110 -4.507 1.00 0.00 C ATOM 259 CD1 LEU A 16 -6.429 -2.654 -4.777 1.00 0.00 C ATOM 260 CD2 LEU A 16 -7.281 -4.990 -4.418 1.00 0.00 C ATOM 0 H LEU A 16 -3.253 -5.334 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.342 -6.734 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.166 -3.927 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.506 -4.478 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.508 -4.184 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.129 -2.323 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.543 -2.020 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.904 -2.584 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.942 -4.603 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.801 -4.980 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.993 -6.012 -4.172 1.00 0.00 H new ATOM 272 N LYS A 17 -2.479 -6.208 -6.805 1.00 0.00 N ATOM 273 CA LYS A 17 -1.683 -6.428 -8.011 1.00 0.00 C ATOM 274 C LYS A 17 -1.539 -7.894 -8.342 1.00 0.00 C ATOM 275 O LYS A 17 -1.131 -8.269 -9.452 1.00 0.00 O ATOM 276 CB LYS A 17 -0.286 -5.767 -7.828 1.00 0.00 C ATOM 277 CG LYS A 17 0.654 -6.572 -6.897 1.00 0.00 C ATOM 278 CD LYS A 17 1.793 -7.306 -7.612 1.00 0.00 C ATOM 279 CE LYS A 17 1.412 -8.782 -7.787 1.00 0.00 C ATOM 280 NZ LYS A 17 2.361 -9.624 -7.038 1.00 0.00 N ATOM 0 H LYS A 17 -1.945 -5.857 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.204 -5.968 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.187 -5.657 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.416 -4.764 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.084 -5.892 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.060 -7.301 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.982 -6.849 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.714 -7.222 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.397 -8.952 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.426 -9.050 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.104 -10.625 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.324 -9.469 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.326 -9.374 -6.029 1.00 0.00 H new ATOM 294 N GLU A 18 -1.834 -8.755 -7.389 1.00 0.00 N ATOM 295 CA GLU A 18 -1.860 -10.199 -7.610 1.00 0.00 C ATOM 296 C GLU A 18 -3.216 -10.672 -8.071 1.00 0.00 C ATOM 297 O GLU A 18 -3.897 -11.457 -7.398 1.00 0.00 O ATOM 298 CB GLU A 18 -1.449 -10.886 -6.273 1.00 0.00 C ATOM 299 CG GLU A 18 -1.167 -12.423 -6.294 1.00 0.00 C ATOM 300 CD GLU A 18 -0.354 -13.030 -5.147 1.00 0.00 C ATOM 301 OE1 GLU A 18 -0.353 -12.272 -4.016 1.00 0.00 O ATOM 302 OE2 GLU A 18 0.239 -14.096 -5.243 1.00 0.00 O ATOM 0 H GLU A 18 -2.064 -8.479 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.162 -10.463 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.553 -10.387 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.240 -10.702 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.128 -12.936 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.650 -12.653 -7.226 1.00 0.00 H new ATOM 309 N ASN A 19 -3.633 -10.214 -9.237 1.00 0.00 N ATOM 310 CA ASN A 19 -4.874 -10.673 -9.855 1.00 0.00 C ATOM 311 C ASN A 19 -4.791 -10.585 -11.361 1.00 0.00 C ATOM 312 O ASN A 19 -4.639 -11.585 -12.069 1.00 0.00 O ATOM 313 CB ASN A 19 -6.065 -9.826 -9.320 1.00 0.00 C ATOM 314 CG ASN A 19 -7.410 -9.989 -10.036 1.00 0.00 C ATOM 315 OD1 ASN A 19 -7.794 -9.203 -10.890 1.00 0.00 O ATOM 316 ND2 ASN A 19 -8.170 -11.003 -9.723 1.00 0.00 N ATOM 0 H ASN A 19 -3.128 -9.517 -9.784 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.033 -11.719 -9.593 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.209 -10.071 -8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.781 -8.775 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.069 -11.130 -10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.865 -11.669 -9.013 1.00 0.00 H new ATOM 323 N GLY A 20 -4.876 -9.370 -11.874 1.00 0.00 N ATOM 324 CA GLY A 20 -4.759 -9.129 -13.309 1.00 0.00 C ATOM 325 C GLY A 20 -4.815 -7.653 -13.622 1.00 0.00 C ATOM 326 O GLY A 20 -5.327 -7.212 -14.698 1.00 0.00 O ATOM 327 OXT GLY A 20 -4.320 -6.879 -12.746 1.00 0.00 O ATOM 0 H GLY A 20 -5.026 -8.528 -11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.820 -9.545 -13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.563 -9.645 -13.834 1.00 0.00 H new