USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 157:sc= -0.144 (180deg=-0.698) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 25 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -55:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 3:sc= 0.316 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.0196 K(o=-0.02,f=-4.7!) USER MOD Single : A 71 THR OG1 : rot 44:sc= 0.211 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.114 3.612 17.443 1.00 2.45 N ATOM 2 CA GLY A 1 8.878 3.966 16.224 1.00 14.00 C ATOM 3 C GLY A 1 9.456 2.748 15.540 1.00 44.12 C ATOM 4 O GLY A 1 10.673 2.621 15.400 1.00 54.03 O ATOM 0 H1 GLY A 1 7.736 4.477 17.879 1.00 2.45 H new ATOM 0 H2 GLY A 1 7.328 2.980 17.189 1.00 2.45 H new ATOM 0 H3 GLY A 1 8.741 3.130 18.118 1.00 2.45 H new ATOM 0 HA2 GLY A 1 8.226 4.496 15.529 1.00 14.00 H new ATOM 0 HA3 GLY A 1 9.685 4.650 16.488 1.00 14.00 H new ATOM 10 N ALA A 2 8.588 1.842 15.121 1.00 21.54 N ATOM 11 CA ALA A 2 9.021 0.635 14.435 1.00 4.14 C ATOM 12 C ALA A 2 8.698 0.714 12.951 1.00 45.33 C ATOM 13 O ALA A 2 7.653 1.241 12.565 1.00 60.22 O ATOM 14 CB ALA A 2 8.368 -0.587 15.056 1.00 40.24 C ATOM 0 H ALA A 2 7.578 1.919 15.244 1.00 21.54 H new ATOM 0 HA ALA A 2 10.102 0.546 14.544 1.00 4.14 H new ATOM 0 HB1 ALA A 2 8.701 -1.483 14.533 1.00 40.24 H new ATOM 0 HB2 ALA A 2 8.649 -0.655 16.107 1.00 40.24 H new ATOM 0 HB3 ALA A 2 7.284 -0.501 14.975 1.00 40.24 H new ATOM 20 N MET A 3 9.593 0.196 12.121 1.00 25.02 N ATOM 21 CA MET A 3 9.362 0.164 10.684 1.00 2.53 C ATOM 22 C MET A 3 8.541 -1.063 10.317 1.00 1.22 C ATOM 23 O MET A 3 8.467 -2.023 11.087 1.00 41.15 O ATOM 24 CB MET A 3 10.680 0.162 9.899 1.00 33.12 C ATOM 25 CG MET A 3 11.462 1.465 9.983 1.00 13.04 C ATOM 26 SD MET A 3 12.317 1.681 11.558 1.00 62.22 S ATOM 27 CE MET A 3 13.536 0.372 11.462 1.00 73.22 C ATOM 0 H MET A 3 10.482 -0.206 12.417 1.00 25.02 H new ATOM 0 HA MET A 3 8.813 1.066 10.415 1.00 2.53 H new ATOM 0 HB2 MET A 3 11.308 -0.649 10.268 1.00 33.12 H new ATOM 0 HB3 MET A 3 10.465 -0.052 8.852 1.00 33.12 H new ATOM 0 HG2 MET A 3 12.192 1.496 9.174 1.00 13.04 H new ATOM 0 HG3 MET A 3 10.780 2.301 9.830 1.00 13.04 H new ATOM 0 HE1 MET A 3 14.374 0.607 12.118 1.00 73.22 H new ATOM 0 HE2 MET A 3 13.084 -0.570 11.774 1.00 73.22 H new ATOM 0 HE3 MET A 3 13.892 0.281 10.436 1.00 73.22 H new ATOM 37 N ALA A 4 7.929 -1.038 9.143 1.00 10.42 N ATOM 38 CA ALA A 4 7.090 -2.141 8.708 1.00 1.02 C ATOM 39 C ALA A 4 7.935 -3.277 8.144 1.00 61.51 C ATOM 40 O ALA A 4 8.006 -3.473 6.932 1.00 65.43 O ATOM 41 CB ALA A 4 6.067 -1.666 7.685 1.00 22.24 C ATOM 0 H ALA A 4 7.998 -0.268 8.477 1.00 10.42 H new ATOM 0 HA ALA A 4 6.552 -2.522 9.576 1.00 1.02 H new ATOM 0 HB1 ALA A 4 5.448 -2.507 7.372 1.00 22.24 H new ATOM 0 HB2 ALA A 4 5.436 -0.898 8.131 1.00 22.24 H new ATOM 0 HB3 ALA A 4 6.584 -1.253 6.819 1.00 22.24 H new ATOM 47 N PHE A 5 8.605 -4.000 9.028 1.00 34.12 N ATOM 48 CA PHE A 5 9.387 -5.159 8.630 1.00 50.30 C ATOM 49 C PHE A 5 9.134 -6.324 9.577 1.00 24.53 C ATOM 50 O PHE A 5 9.747 -6.425 10.638 1.00 13.42 O ATOM 51 CB PHE A 5 10.885 -4.834 8.579 1.00 24.33 C ATOM 52 CG PHE A 5 11.261 -3.854 7.498 1.00 1.43 C ATOM 53 CD1 PHE A 5 11.243 -4.229 6.160 1.00 25.20 C ATOM 54 CD2 PHE A 5 11.636 -2.559 7.821 1.00 2.14 C ATOM 55 CE1 PHE A 5 11.590 -3.329 5.171 1.00 51.33 C ATOM 56 CE2 PHE A 5 11.983 -1.657 6.834 1.00 45.12 C ATOM 57 CZ PHE A 5 11.962 -2.043 5.508 1.00 2.31 C ATOM 0 H PHE A 5 8.622 -3.803 10.029 1.00 34.12 H new ATOM 0 HA PHE A 5 9.070 -5.443 7.627 1.00 50.30 H new ATOM 0 HB2 PHE A 5 11.192 -4.431 9.544 1.00 24.33 H new ATOM 0 HB3 PHE A 5 11.442 -5.758 8.428 1.00 24.33 H new ATOM 0 HD1 PHE A 5 10.955 -5.234 5.891 1.00 25.20 H new ATOM 0 HD2 PHE A 5 11.657 -2.252 8.856 1.00 2.14 H new ATOM 0 HE1 PHE A 5 11.570 -3.631 4.134 1.00 51.33 H new ATOM 0 HE2 PHE A 5 12.271 -0.650 7.099 1.00 45.12 H new ATOM 0 HZ PHE A 5 12.236 -1.340 4.736 1.00 2.31 H new ATOM 67 N ASP A 6 8.191 -7.172 9.199 1.00 13.41 N ATOM 68 CA ASP A 6 7.871 -8.376 9.956 1.00 42.04 C ATOM 69 C ASP A 6 7.363 -9.439 8.995 1.00 51.35 C ATOM 70 O ASP A 6 8.105 -10.342 8.603 1.00 10.12 O ATOM 71 CB ASP A 6 6.826 -8.072 11.037 1.00 54.33 C ATOM 72 CG ASP A 6 6.398 -9.308 11.807 1.00 21.02 C ATOM 73 OD1 ASP A 6 7.172 -9.782 12.666 1.00 63.01 O ATOM 74 OD2 ASP A 6 5.273 -9.793 11.578 1.00 0.43 O ATOM 0 H ASP A 6 7.625 -7.047 8.360 1.00 13.41 H new ATOM 0 HA ASP A 6 8.766 -8.742 10.459 1.00 42.04 H new ATOM 0 HB2 ASP A 6 7.233 -7.339 11.733 1.00 54.33 H new ATOM 0 HB3 ASP A 6 5.951 -7.618 10.572 1.00 54.33 H new ATOM 79 N GLY A 7 6.108 -9.300 8.591 1.00 12.53 N ATOM 80 CA GLY A 7 5.568 -10.130 7.536 1.00 74.34 C ATOM 81 C GLY A 7 5.172 -11.521 7.987 1.00 54.14 C ATOM 82 O GLY A 7 5.854 -12.147 8.800 1.00 20.11 O ATOM 0 H GLY A 7 5.452 -8.622 8.979 1.00 12.53 H new ATOM 0 HA2 GLY A 7 4.695 -9.635 7.110 1.00 74.34 H new ATOM 0 HA3 GLY A 7 6.308 -10.214 6.740 1.00 74.34 H new ATOM 86 N GLU A 8 4.052 -11.997 7.470 1.00 41.01 N ATOM 87 CA GLU A 8 3.644 -13.374 7.668 1.00 44.04 C ATOM 88 C GLU A 8 4.399 -14.251 6.678 1.00 61.11 C ATOM 89 O GLU A 8 4.488 -13.926 5.496 1.00 63.11 O ATOM 90 CB GLU A 8 2.132 -13.506 7.478 1.00 72.43 C ATOM 91 CG GLU A 8 1.582 -14.883 7.808 1.00 41.24 C ATOM 92 CD GLU A 8 0.074 -14.940 7.705 1.00 71.12 C ATOM 93 OE1 GLU A 8 -0.607 -14.468 8.642 1.00 55.35 O ATOM 94 OE2 GLU A 8 -0.436 -15.447 6.689 1.00 21.12 O ATOM 0 H GLU A 8 3.406 -11.444 6.906 1.00 41.01 H new ATOM 0 HA GLU A 8 3.879 -13.694 8.683 1.00 44.04 H new ATOM 0 HB2 GLU A 8 1.632 -12.767 8.105 1.00 72.43 H new ATOM 0 HB3 GLU A 8 1.885 -13.266 6.444 1.00 72.43 H new ATOM 0 HG2 GLU A 8 2.018 -15.618 7.131 1.00 41.24 H new ATOM 0 HG3 GLU A 8 1.886 -15.160 8.817 1.00 41.24 H new ATOM 101 N ASP A 9 4.938 -15.361 7.153 1.00 73.22 N ATOM 102 CA ASP A 9 5.847 -16.176 6.352 1.00 31.02 C ATOM 103 C ASP A 9 5.101 -17.038 5.343 1.00 73.22 C ATOM 104 O ASP A 9 5.714 -17.808 4.602 1.00 30.54 O ATOM 105 CB ASP A 9 6.709 -17.062 7.255 1.00 20.31 C ATOM 106 CG ASP A 9 7.741 -16.275 8.043 1.00 72.34 C ATOM 107 OD1 ASP A 9 7.358 -15.559 8.989 1.00 54.02 O ATOM 108 OD2 ASP A 9 8.947 -16.382 7.729 1.00 75.13 O ATOM 0 H ASP A 9 4.764 -15.722 8.091 1.00 73.22 H new ATOM 0 HA ASP A 9 6.488 -15.491 5.797 1.00 31.02 H new ATOM 0 HB2 ASP A 9 6.064 -17.602 7.948 1.00 20.31 H new ATOM 0 HB3 ASP A 9 7.217 -17.809 6.645 1.00 20.31 H new ATOM 113 N GLU A 10 3.783 -16.907 5.303 1.00 32.22 N ATOM 114 CA GLU A 10 2.977 -17.699 4.384 1.00 32.34 C ATOM 115 C GLU A 10 2.347 -16.837 3.295 1.00 25.45 C ATOM 116 O GLU A 10 1.523 -17.317 2.516 1.00 70.33 O ATOM 117 CB GLU A 10 1.888 -18.458 5.139 1.00 4.34 C ATOM 118 CG GLU A 10 2.428 -19.411 6.190 1.00 33.31 C ATOM 119 CD GLU A 10 1.370 -20.353 6.715 1.00 12.31 C ATOM 120 OE1 GLU A 10 0.504 -19.912 7.498 1.00 63.12 O ATOM 121 OE2 GLU A 10 1.401 -21.547 6.347 1.00 20.44 O ATOM 0 H GLU A 10 3.252 -16.265 5.891 1.00 32.22 H new ATOM 0 HA GLU A 10 3.646 -18.413 3.904 1.00 32.34 H new ATOM 0 HB2 GLU A 10 1.223 -17.740 5.619 1.00 4.34 H new ATOM 0 HB3 GLU A 10 1.287 -19.021 4.425 1.00 4.34 H new ATOM 0 HG2 GLU A 10 3.247 -19.991 5.764 1.00 33.31 H new ATOM 0 HG3 GLU A 10 2.842 -18.836 7.019 1.00 33.31 H new ATOM 128 N VAL A 11 2.732 -15.571 3.228 1.00 51.10 N ATOM 129 CA VAL A 11 2.229 -14.693 2.176 1.00 32.32 C ATOM 130 C VAL A 11 3.059 -14.866 0.913 1.00 12.53 C ATOM 131 O VAL A 11 4.194 -15.354 0.972 1.00 13.43 O ATOM 132 CB VAL A 11 2.235 -13.208 2.597 1.00 43.52 C ATOM 133 CG1 VAL A 11 1.388 -13.005 3.841 1.00 34.41 C ATOM 134 CG2 VAL A 11 3.655 -12.705 2.825 1.00 12.01 C ATOM 0 H VAL A 11 3.382 -15.131 3.879 1.00 51.10 H new ATOM 0 HA VAL A 11 1.194 -14.979 1.987 1.00 32.32 H new ATOM 0 HB VAL A 11 1.802 -12.626 1.784 1.00 43.52 H new ATOM 0 HG11 VAL A 11 1.403 -11.952 4.124 1.00 34.41 H new ATOM 0 HG12 VAL A 11 0.362 -13.311 3.636 1.00 34.41 H new ATOM 0 HG13 VAL A 11 1.790 -13.606 4.657 1.00 34.41 H new ATOM 0 HG21 VAL A 11 3.626 -11.656 3.120 1.00 12.01 H new ATOM 0 HG22 VAL A 11 4.126 -13.291 3.614 1.00 12.01 H new ATOM 0 HG23 VAL A 11 4.229 -12.807 1.904 1.00 12.01 H new ATOM 144 N THR A 12 2.502 -14.489 -0.224 1.00 61.24 N ATOM 145 CA THR A 12 3.210 -14.630 -1.482 1.00 42.11 C ATOM 146 C THR A 12 3.943 -13.343 -1.853 1.00 30.50 C ATOM 147 O THR A 12 4.938 -13.377 -2.579 1.00 64.43 O ATOM 148 CB THR A 12 2.265 -15.055 -2.620 1.00 72.12 C ATOM 149 OG1 THR A 12 1.055 -14.289 -2.577 1.00 40.32 O ATOM 150 CG2 THR A 12 1.936 -16.536 -2.522 1.00 13.14 C ATOM 0 H THR A 12 1.568 -14.086 -0.302 1.00 61.24 H new ATOM 0 HA THR A 12 3.949 -15.419 -1.345 1.00 42.11 H new ATOM 0 HB THR A 12 2.772 -14.870 -3.567 1.00 72.12 H new ATOM 0 HG1 THR A 12 0.465 -14.569 -3.307 1.00 40.32 H new ATOM 0 HG21 THR A 12 1.267 -16.815 -3.336 1.00 13.14 H new ATOM 0 HG22 THR A 12 2.855 -17.118 -2.592 1.00 13.14 H new ATOM 0 HG23 THR A 12 1.450 -16.738 -1.568 1.00 13.14 H new ATOM 158 N GLY A 13 3.457 -12.214 -1.348 1.00 61.10 N ATOM 159 CA GLY A 13 4.142 -10.954 -1.551 1.00 24.14 C ATOM 160 C GLY A 13 5.053 -10.620 -0.385 1.00 32.41 C ATOM 161 O GLY A 13 4.571 -10.325 0.711 1.00 14.12 O ATOM 0 H GLY A 13 2.599 -12.151 -0.801 1.00 61.10 H new ATOM 0 HA2 GLY A 13 4.728 -11.001 -2.469 1.00 24.14 H new ATOM 0 HA3 GLY A 13 3.409 -10.158 -1.681 1.00 24.14 H new ATOM 165 N PRO A 14 6.381 -10.649 -0.593 1.00 64.55 N ATOM 166 CA PRO A 14 7.362 -10.435 0.477 1.00 22.00 C ATOM 167 C PRO A 14 7.172 -9.099 1.192 1.00 45.31 C ATOM 168 O PRO A 14 6.999 -9.055 2.407 1.00 15.54 O ATOM 169 CB PRO A 14 8.717 -10.472 -0.247 1.00 1.32 C ATOM 170 CG PRO A 14 8.401 -10.308 -1.696 1.00 63.13 C ATOM 171 CD PRO A 14 7.033 -10.895 -1.890 1.00 11.43 C ATOM 0 HA PRO A 14 7.267 -11.188 1.259 1.00 22.00 H new ATOM 0 HB2 PRO A 14 9.371 -9.674 0.104 1.00 1.32 H new ATOM 0 HB3 PRO A 14 9.235 -11.413 -0.063 1.00 1.32 H new ATOM 0 HG2 PRO A 14 8.419 -9.257 -1.983 1.00 63.13 H new ATOM 0 HG3 PRO A 14 9.137 -10.820 -2.316 1.00 63.13 H new ATOM 0 HD2 PRO A 14 6.499 -10.412 -2.708 1.00 11.43 H new ATOM 0 HD3 PRO A 14 7.079 -11.959 -2.123 1.00 11.43 H new ATOM 179 N ASP A 15 7.187 -8.016 0.433 1.00 54.25 N ATOM 180 CA ASP A 15 7.017 -6.683 0.996 1.00 32.24 C ATOM 181 C ASP A 15 5.544 -6.305 1.048 1.00 53.41 C ATOM 182 O ASP A 15 5.163 -5.320 1.683 1.00 21.34 O ATOM 183 CB ASP A 15 7.812 -5.657 0.183 1.00 4.11 C ATOM 184 CG ASP A 15 7.640 -5.836 -1.314 1.00 51.20 C ATOM 185 OD1 ASP A 15 8.277 -6.755 -1.877 1.00 42.11 O ATOM 186 OD2 ASP A 15 6.880 -5.069 -1.932 1.00 55.13 O ATOM 0 H ASP A 15 7.316 -8.032 -0.579 1.00 54.25 H new ATOM 0 HA ASP A 15 7.401 -6.687 2.016 1.00 32.24 H new ATOM 0 HB2 ASP A 15 7.495 -4.653 0.464 1.00 4.11 H new ATOM 0 HB3 ASP A 15 8.869 -5.740 0.436 1.00 4.11 H new ATOM 191 N ALA A 16 4.721 -7.130 0.421 1.00 34.11 N ATOM 192 CA ALA A 16 3.290 -6.881 0.334 1.00 74.10 C ATOM 193 C ALA A 16 2.615 -6.959 1.697 1.00 24.44 C ATOM 194 O ALA A 16 1.779 -6.117 2.031 1.00 31.30 O ATOM 195 CB ALA A 16 2.651 -7.874 -0.618 1.00 72.24 C ATOM 0 H ALA A 16 5.024 -7.988 -0.040 1.00 34.11 H new ATOM 0 HA ALA A 16 3.153 -5.868 -0.044 1.00 74.10 H new ATOM 0 HB1 ALA A 16 1.580 -7.682 -0.679 1.00 72.24 H new ATOM 0 HB2 ALA A 16 3.095 -7.767 -1.608 1.00 72.24 H new ATOM 0 HB3 ALA A 16 2.818 -8.887 -0.253 1.00 72.24 H new ATOM 201 N ASP A 17 2.988 -7.970 2.477 1.00 70.20 N ATOM 202 CA ASP A 17 2.362 -8.229 3.776 1.00 13.35 C ATOM 203 C ASP A 17 2.354 -6.992 4.667 1.00 51.21 C ATOM 204 O ASP A 17 1.297 -6.528 5.086 1.00 13.01 O ATOM 205 CB ASP A 17 3.091 -9.362 4.497 1.00 54.02 C ATOM 206 CG ASP A 17 2.529 -9.635 5.880 1.00 75.12 C ATOM 207 OD1 ASP A 17 2.881 -8.907 6.830 1.00 25.45 O ATOM 208 OD2 ASP A 17 1.744 -10.586 6.028 1.00 60.44 O ATOM 0 H ASP A 17 3.726 -8.630 2.232 1.00 70.20 H new ATOM 0 HA ASP A 17 1.328 -8.513 3.581 1.00 13.35 H new ATOM 0 HB2 ASP A 17 3.026 -10.270 3.897 1.00 54.02 H new ATOM 0 HB3 ASP A 17 4.148 -9.112 4.582 1.00 54.02 H new ATOM 213 N ARG A 18 3.531 -6.443 4.930 1.00 50.44 N ATOM 214 CA ARG A 18 3.651 -5.351 5.891 1.00 20.14 C ATOM 215 C ARG A 18 3.061 -4.048 5.361 1.00 41.15 C ATOM 216 O ARG A 18 2.534 -3.247 6.129 1.00 23.32 O ATOM 217 CB ARG A 18 5.102 -5.136 6.332 1.00 11.31 C ATOM 218 CG ARG A 18 6.133 -5.209 5.218 1.00 22.02 C ATOM 219 CD ARG A 18 6.688 -6.617 5.059 1.00 63.30 C ATOM 220 NE ARG A 18 7.986 -6.618 4.387 1.00 42.41 N ATOM 221 CZ ARG A 18 8.893 -7.588 4.527 1.00 41.24 C ATOM 222 NH1 ARG A 18 8.611 -8.674 5.236 1.00 61.33 N ATOM 223 NH2 ARG A 18 10.079 -7.482 3.938 1.00 25.51 N ATOM 0 H ARG A 18 4.409 -6.730 4.498 1.00 50.44 H new ATOM 0 HA ARG A 18 3.070 -5.650 6.763 1.00 20.14 H new ATOM 0 HB2 ARG A 18 5.178 -4.161 6.813 1.00 11.31 H new ATOM 0 HB3 ARG A 18 5.351 -5.883 7.085 1.00 11.31 H new ATOM 0 HG2 ARG A 18 5.679 -4.888 4.280 1.00 22.02 H new ATOM 0 HG3 ARG A 18 6.949 -4.518 5.431 1.00 22.02 H new ATOM 0 HD2 ARG A 18 6.787 -7.081 6.040 1.00 63.30 H new ATOM 0 HD3 ARG A 18 5.984 -7.223 4.489 1.00 63.30 H new ATOM 0 HE ARG A 18 8.212 -5.833 3.776 1.00 42.41 H new ATOM 0 HH11 ARG A 18 7.697 -8.771 5.678 1.00 61.33 H new ATOM 0 HH12 ARG A 18 9.308 -9.411 5.339 1.00 61.33 H new ATOM 0 HH21 ARG A 18 10.298 -6.658 3.378 1.00 25.51 H new ATOM 0 HH22 ARG A 18 10.770 -8.224 4.046 1.00 25.51 H new ATOM 237 N ALA A 19 3.131 -3.843 4.054 1.00 42.53 N ATOM 238 CA ALA A 19 2.581 -2.633 3.455 1.00 31.15 C ATOM 239 C ALA A 19 1.060 -2.640 3.539 1.00 30.15 C ATOM 240 O ALA A 19 0.435 -1.620 3.829 1.00 0.34 O ATOM 241 CB ALA A 19 3.041 -2.491 2.015 1.00 41.24 C ATOM 0 H ALA A 19 3.558 -4.491 3.392 1.00 42.53 H new ATOM 0 HA ALA A 19 2.950 -1.773 4.015 1.00 31.15 H new ATOM 0 HB1 ALA A 19 2.619 -1.582 1.586 1.00 41.24 H new ATOM 0 HB2 ALA A 19 4.129 -2.436 1.984 1.00 41.24 H new ATOM 0 HB3 ALA A 19 2.705 -3.353 1.439 1.00 41.24 H new ATOM 247 N ARG A 20 0.472 -3.806 3.313 1.00 21.33 N ATOM 248 CA ARG A 20 -0.973 -3.957 3.385 1.00 32.45 C ATOM 249 C ARG A 20 -1.437 -3.991 4.845 1.00 44.21 C ATOM 250 O ARG A 20 -2.567 -3.617 5.154 1.00 34.32 O ATOM 251 CB ARG A 20 -1.407 -5.210 2.594 1.00 5.54 C ATOM 252 CG ARG A 20 -2.357 -6.160 3.316 1.00 34.23 C ATOM 253 CD ARG A 20 -1.599 -7.154 4.184 1.00 2.54 C ATOM 254 NE ARG A 20 -2.481 -8.140 4.809 1.00 54.32 N ATOM 255 CZ ARG A 20 -2.043 -9.208 5.474 1.00 64.32 C ATOM 256 NH1 ARG A 20 -0.740 -9.422 5.599 1.00 73.52 N ATOM 257 NH2 ARG A 20 -2.906 -10.055 6.021 1.00 45.31 N ATOM 0 H ARG A 20 0.975 -4.662 3.078 1.00 21.33 H new ATOM 0 HA ARG A 20 -1.456 -3.096 2.924 1.00 32.45 H new ATOM 0 HB2 ARG A 20 -1.883 -4.885 1.669 1.00 5.54 H new ATOM 0 HB3 ARG A 20 -0.513 -5.766 2.313 1.00 5.54 H new ATOM 0 HG2 ARG A 20 -3.046 -5.586 3.935 1.00 34.23 H new ATOM 0 HG3 ARG A 20 -2.959 -6.699 2.585 1.00 34.23 H new ATOM 0 HD2 ARG A 20 -0.856 -7.670 3.576 1.00 2.54 H new ATOM 0 HD3 ARG A 20 -1.056 -6.614 4.960 1.00 2.54 H new ATOM 0 HE ARG A 20 -3.489 -8.002 4.731 1.00 54.32 H new ATOM 0 HH11 ARG A 20 -0.074 -8.769 5.186 1.00 73.52 H new ATOM 0 HH12 ARG A 20 -0.404 -10.240 6.108 1.00 73.52 H new ATOM 0 HH21 ARG A 20 -3.909 -9.889 5.933 1.00 45.31 H new ATOM 0 HH22 ARG A 20 -2.567 -10.872 6.529 1.00 45.31 H new ATOM 271 N ALA A 21 -0.548 -4.411 5.742 1.00 3.01 N ATOM 272 CA ALA A 21 -0.861 -4.458 7.168 1.00 52.14 C ATOM 273 C ALA A 21 -0.868 -3.057 7.771 1.00 21.12 C ATOM 274 O ALA A 21 -1.638 -2.768 8.688 1.00 50.23 O ATOM 275 CB ALA A 21 0.131 -5.350 7.901 1.00 21.52 C ATOM 0 H ALA A 21 0.394 -4.723 5.507 1.00 3.01 H new ATOM 0 HA ALA A 21 -1.859 -4.881 7.283 1.00 52.14 H new ATOM 0 HB1 ALA A 21 -0.116 -5.374 8.962 1.00 21.52 H new ATOM 0 HB2 ALA A 21 0.082 -6.360 7.494 1.00 21.52 H new ATOM 0 HB3 ALA A 21 1.139 -4.956 7.772 1.00 21.52 H new ATOM 281 N ALA A 22 -0.014 -2.187 7.247 1.00 3.25 N ATOM 282 CA ALA A 22 0.054 -0.805 7.710 1.00 23.41 C ATOM 283 C ALA A 22 -1.167 -0.011 7.251 1.00 13.24 C ATOM 284 O ALA A 22 -1.588 0.943 7.903 1.00 61.34 O ATOM 285 CB ALA A 22 1.338 -0.151 7.222 1.00 31.22 C ATOM 0 H ALA A 22 0.643 -2.413 6.500 1.00 3.25 H new ATOM 0 HA ALA A 22 0.057 -0.808 8.800 1.00 23.41 H new ATOM 0 HB1 ALA A 22 1.378 0.880 7.574 1.00 31.22 H new ATOM 0 HB2 ALA A 22 2.196 -0.700 7.610 1.00 31.22 H new ATOM 0 HB3 ALA A 22 1.361 -0.164 6.132 1.00 31.22 H new ATOM 291 N ALA A 23 -1.752 -0.438 6.139 1.00 12.52 N ATOM 292 CA ALA A 23 -2.910 0.239 5.570 1.00 33.13 C ATOM 293 C ALA A 23 -4.159 0.016 6.418 1.00 20.10 C ATOM 294 O ALA A 23 -5.090 0.819 6.385 1.00 32.14 O ATOM 295 CB ALA A 23 -3.144 -0.240 4.149 1.00 1.34 C ATOM 0 H ALA A 23 -1.442 -1.254 5.611 1.00 12.52 H new ATOM 0 HA ALA A 23 -2.704 1.309 5.559 1.00 33.13 H new ATOM 0 HB1 ALA A 23 -4.011 0.271 3.731 1.00 1.34 H new ATOM 0 HB2 ALA A 23 -2.266 -0.020 3.542 1.00 1.34 H new ATOM 0 HB3 ALA A 23 -3.323 -1.315 4.152 1.00 1.34 H new ATOM 301 N VAL A 24 -4.157 -1.064 7.194 1.00 25.03 N ATOM 302 CA VAL A 24 -5.305 -1.427 8.024 1.00 23.21 C ATOM 303 C VAL A 24 -5.584 -0.358 9.082 1.00 2.04 C ATOM 304 O VAL A 24 -6.712 -0.200 9.545 1.00 21.40 O ATOM 305 CB VAL A 24 -5.089 -2.796 8.715 1.00 33.41 C ATOM 306 CG1 VAL A 24 -6.302 -3.193 9.542 1.00 55.35 C ATOM 307 CG2 VAL A 24 -4.773 -3.871 7.688 1.00 15.01 C ATOM 0 H VAL A 24 -3.369 -1.707 7.266 1.00 25.03 H new ATOM 0 HA VAL A 24 -6.167 -1.500 7.361 1.00 23.21 H new ATOM 0 HB VAL A 24 -4.238 -2.698 9.389 1.00 33.41 H new ATOM 0 HG11 VAL A 24 -6.120 -4.158 10.015 1.00 55.35 H new ATOM 0 HG12 VAL A 24 -6.481 -2.441 10.310 1.00 55.35 H new ATOM 0 HG13 VAL A 24 -7.176 -3.265 8.895 1.00 55.35 H new ATOM 0 HG21 VAL A 24 -4.625 -4.825 8.194 1.00 15.01 H new ATOM 0 HG22 VAL A 24 -5.602 -3.958 6.985 1.00 15.01 H new ATOM 0 HG23 VAL A 24 -3.866 -3.602 7.147 1.00 15.01 H new ATOM 317 N GLN A 25 -4.558 0.396 9.445 1.00 25.04 N ATOM 318 CA GLN A 25 -4.699 1.432 10.457 1.00 20.05 C ATOM 319 C GLN A 25 -5.315 2.697 9.862 1.00 34.22 C ATOM 320 O GLN A 25 -5.758 3.586 10.589 1.00 3.45 O ATOM 321 CB GLN A 25 -3.344 1.771 11.089 1.00 63.43 C ATOM 322 CG GLN A 25 -2.781 0.692 12.008 1.00 22.11 C ATOM 323 CD GLN A 25 -2.420 -0.592 11.286 1.00 70.52 C ATOM 324 OE1 GLN A 25 -3.223 -1.522 11.198 1.00 73.51 O ATOM 325 NE2 GLN A 25 -1.215 -0.643 10.744 1.00 0.01 N ATOM 0 H GLN A 25 -3.620 0.310 9.055 1.00 25.04 H new ATOM 0 HA GLN A 25 -5.363 1.045 11.230 1.00 20.05 H new ATOM 0 HB2 GLN A 25 -2.625 1.962 10.293 1.00 63.43 H new ATOM 0 HB3 GLN A 25 -3.445 2.696 11.657 1.00 63.43 H new ATOM 0 HG2 GLN A 25 -1.894 1.079 12.509 1.00 22.11 H new ATOM 0 HG3 GLN A 25 -3.513 0.469 12.784 1.00 22.11 H new ATOM 0 HE21 GLN A 25 -0.579 0.149 10.839 1.00 0.01 H new ATOM 0 HE22 GLN A 25 -0.922 -1.474 10.231 1.00 0.01 H new ATOM 334 N ALA A 26 -5.354 2.764 8.538 1.00 70.40 N ATOM 335 CA ALA A 26 -5.856 3.943 7.849 1.00 44.12 C ATOM 336 C ALA A 26 -7.252 3.704 7.283 1.00 2.04 C ATOM 337 O ALA A 26 -7.828 4.586 6.645 1.00 43.42 O ATOM 338 CB ALA A 26 -4.897 4.352 6.739 1.00 53.33 C ATOM 0 H ALA A 26 -5.043 2.014 7.920 1.00 70.40 H new ATOM 0 HA ALA A 26 -5.925 4.753 8.575 1.00 44.12 H new ATOM 0 HB1 ALA A 26 -5.284 5.235 6.231 1.00 53.33 H new ATOM 0 HB2 ALA A 26 -3.920 4.578 7.167 1.00 53.33 H new ATOM 0 HB3 ALA A 26 -4.799 3.536 6.023 1.00 53.33 H new ATOM 344 N VAL A 27 -7.795 2.515 7.515 1.00 5.54 N ATOM 345 CA VAL A 27 -9.128 2.188 7.030 1.00 73.15 C ATOM 346 C VAL A 27 -9.880 1.300 8.027 1.00 52.42 C ATOM 347 O VAL A 27 -9.469 0.175 8.314 1.00 33.12 O ATOM 348 CB VAL A 27 -9.077 1.515 5.635 1.00 73.03 C ATOM 349 CG1 VAL A 27 -8.232 0.248 5.654 1.00 62.32 C ATOM 350 CG2 VAL A 27 -10.479 1.218 5.127 1.00 23.00 C ATOM 0 H VAL A 27 -7.335 1.766 8.033 1.00 5.54 H new ATOM 0 HA VAL A 27 -9.673 3.127 6.930 1.00 73.15 H new ATOM 0 HB VAL A 27 -8.603 2.217 4.950 1.00 73.03 H new ATOM 0 HG11 VAL A 27 -8.220 -0.196 4.659 1.00 62.32 H new ATOM 0 HG12 VAL A 27 -7.214 0.494 5.954 1.00 62.32 H new ATOM 0 HG13 VAL A 27 -8.657 -0.462 6.363 1.00 62.32 H new ATOM 0 HG21 VAL A 27 -10.418 0.746 4.146 1.00 23.00 H new ATOM 0 HG22 VAL A 27 -10.983 0.547 5.822 1.00 23.00 H new ATOM 0 HG23 VAL A 27 -11.042 2.148 5.048 1.00 23.00 H new ATOM 360 N PRO A 28 -10.988 1.812 8.582 1.00 61.44 N ATOM 361 CA PRO A 28 -11.793 1.073 9.556 1.00 32.42 C ATOM 362 C PRO A 28 -12.522 -0.113 8.928 1.00 51.14 C ATOM 363 O PRO A 28 -13.588 0.041 8.330 1.00 23.34 O ATOM 364 CB PRO A 28 -12.791 2.115 10.068 1.00 74.12 C ATOM 365 CG PRO A 28 -12.883 3.127 8.979 1.00 50.11 C ATOM 366 CD PRO A 28 -11.535 3.154 8.312 1.00 23.42 C ATOM 0 HA PRO A 28 -11.178 0.639 10.344 1.00 32.42 H new ATOM 0 HB2 PRO A 28 -13.763 1.665 10.272 1.00 74.12 H new ATOM 0 HB3 PRO A 28 -12.448 2.567 10.999 1.00 74.12 H new ATOM 0 HG2 PRO A 28 -13.664 2.861 8.267 1.00 50.11 H new ATOM 0 HG3 PRO A 28 -13.138 4.108 9.380 1.00 50.11 H new ATOM 0 HD2 PRO A 28 -11.621 3.344 7.242 1.00 23.42 H new ATOM 0 HD3 PRO A 28 -10.899 3.937 8.725 1.00 23.42 H new ATOM 374 N GLY A 29 -11.917 -1.288 9.041 1.00 35.24 N ATOM 375 CA GLY A 29 -12.529 -2.498 8.523 1.00 11.32 C ATOM 376 C GLY A 29 -12.595 -2.515 7.008 1.00 35.43 C ATOM 377 O GLY A 29 -13.606 -2.915 6.430 1.00 42.24 O ATOM 0 H GLY A 29 -11.009 -1.426 9.484 1.00 35.24 H new ATOM 0 HA2 GLY A 29 -11.963 -3.363 8.868 1.00 11.32 H new ATOM 0 HA3 GLY A 29 -13.536 -2.593 8.928 1.00 11.32 H new ATOM 381 N GLY A 30 -11.521 -2.083 6.365 1.00 30.21 N ATOM 382 CA GLY A 30 -11.491 -2.050 4.915 1.00 32.04 C ATOM 383 C GLY A 30 -10.768 -3.244 4.326 1.00 73.54 C ATOM 384 O GLY A 30 -10.019 -3.927 5.025 1.00 30.14 O ATOM 0 H GLY A 30 -10.669 -1.754 6.820 1.00 30.21 H new ATOM 0 HA2 GLY A 30 -12.512 -2.022 4.534 1.00 32.04 H new ATOM 0 HA3 GLY A 30 -11.002 -1.133 4.585 1.00 32.04 H new ATOM 388 N THR A 31 -10.989 -3.495 3.044 1.00 74.34 N ATOM 389 CA THR A 31 -10.365 -4.618 2.364 1.00 62.52 C ATOM 390 C THR A 31 -9.000 -4.220 1.811 1.00 74.11 C ATOM 391 O THR A 31 -8.901 -3.397 0.899 1.00 54.24 O ATOM 392 CB THR A 31 -11.260 -5.127 1.217 1.00 34.12 C ATOM 393 OG1 THR A 31 -12.583 -5.382 1.712 1.00 22.15 O ATOM 394 CG2 THR A 31 -10.689 -6.396 0.603 1.00 1.44 C ATOM 0 H THR A 31 -11.600 -2.932 2.452 1.00 74.34 H new ATOM 0 HA THR A 31 -10.234 -5.419 3.092 1.00 62.52 H new ATOM 0 HB THR A 31 -11.299 -4.359 0.445 1.00 34.12 H new ATOM 0 HG1 THR A 31 -13.150 -5.704 0.980 1.00 22.15 H new ATOM 0 HG21 THR A 31 -11.339 -6.734 -0.204 1.00 1.44 H new ATOM 0 HG22 THR A 31 -9.694 -6.193 0.206 1.00 1.44 H new ATOM 0 HG23 THR A 31 -10.624 -7.172 1.366 1.00 1.44 H new ATOM 402 N ALA A 32 -7.951 -4.789 2.384 1.00 43.25 N ATOM 403 CA ALA A 32 -6.597 -4.514 1.937 1.00 23.24 C ATOM 404 C ALA A 32 -6.034 -5.702 1.172 1.00 54.33 C ATOM 405 O ALA A 32 -6.136 -6.844 1.619 1.00 14.34 O ATOM 406 CB ALA A 32 -5.707 -4.174 3.126 1.00 75.33 C ATOM 0 H ALA A 32 -8.013 -5.446 3.162 1.00 43.25 H new ATOM 0 HA ALA A 32 -6.622 -3.656 1.265 1.00 23.24 H new ATOM 0 HB1 ALA A 32 -4.695 -3.970 2.776 1.00 75.33 H new ATOM 0 HB2 ALA A 32 -6.100 -3.293 3.634 1.00 75.33 H new ATOM 0 HB3 ALA A 32 -5.689 -5.015 3.819 1.00 75.33 H new ATOM 412 N GLY A 33 -5.457 -5.439 0.014 1.00 54.21 N ATOM 413 CA GLY A 33 -4.855 -6.499 -0.764 1.00 51.02 C ATOM 414 C GLY A 33 -3.350 -6.423 -0.715 1.00 40.44 C ATOM 415 O GLY A 33 -2.799 -5.374 -0.373 1.00 13.21 O ATOM 0 H GLY A 33 -5.394 -4.510 -0.403 1.00 54.21 H new ATOM 0 HA2 GLY A 33 -5.186 -7.466 -0.384 1.00 51.02 H new ATOM 0 HA3 GLY A 33 -5.192 -6.431 -1.798 1.00 51.02 H new ATOM 419 N GLU A 34 -2.683 -7.523 -1.039 1.00 1.52 N ATOM 420 CA GLU A 34 -1.229 -7.545 -1.049 1.00 62.32 C ATOM 421 C GLU A 34 -0.692 -6.568 -2.088 1.00 44.15 C ATOM 422 O GLU A 34 -1.191 -6.487 -3.212 1.00 70.35 O ATOM 423 CB GLU A 34 -0.696 -8.965 -1.277 1.00 63.33 C ATOM 424 CG GLU A 34 -0.788 -9.835 -0.029 1.00 61.44 C ATOM 425 CD GLU A 34 -0.251 -11.243 -0.222 1.00 64.42 C ATOM 426 OE1 GLU A 34 0.983 -11.416 -0.291 1.00 62.53 O ATOM 427 OE2 GLU A 34 -1.071 -12.186 -0.286 1.00 53.31 O ATOM 0 H GLU A 34 -3.124 -8.406 -1.297 1.00 1.52 H new ATOM 0 HA GLU A 34 -0.872 -7.225 -0.070 1.00 62.32 H new ATOM 0 HB2 GLU A 34 -1.258 -9.434 -2.084 1.00 63.33 H new ATOM 0 HB3 GLU A 34 0.343 -8.911 -1.601 1.00 63.33 H new ATOM 0 HG2 GLU A 34 -0.237 -9.354 0.779 1.00 61.44 H new ATOM 0 HG3 GLU A 34 -1.830 -9.894 0.286 1.00 61.44 H new ATOM 434 N VAL A 35 0.325 -5.824 -1.687 1.00 4.01 N ATOM 435 CA VAL A 35 0.812 -4.694 -2.455 1.00 14.53 C ATOM 436 C VAL A 35 1.905 -5.111 -3.424 1.00 31.20 C ATOM 437 O VAL A 35 2.559 -6.139 -3.242 1.00 0.43 O ATOM 438 CB VAL A 35 1.351 -3.578 -1.534 1.00 73.34 C ATOM 439 CG1 VAL A 35 0.424 -3.381 -0.349 1.00 31.31 C ATOM 440 CG2 VAL A 35 2.770 -3.872 -1.073 1.00 24.02 C ATOM 0 H VAL A 35 0.836 -5.988 -0.819 1.00 4.01 H new ATOM 0 HA VAL A 35 -0.037 -4.311 -3.021 1.00 14.53 H new ATOM 0 HB VAL A 35 1.383 -2.652 -2.108 1.00 73.34 H new ATOM 0 HG11 VAL A 35 0.816 -2.591 0.292 1.00 31.31 H new ATOM 0 HG12 VAL A 35 -0.567 -3.101 -0.705 1.00 31.31 H new ATOM 0 HG13 VAL A 35 0.357 -4.309 0.218 1.00 31.31 H new ATOM 0 HG21 VAL A 35 3.117 -3.066 -0.427 1.00 24.02 H new ATOM 0 HG22 VAL A 35 2.786 -4.812 -0.521 1.00 24.02 H new ATOM 0 HG23 VAL A 35 3.426 -3.949 -1.940 1.00 24.02 H new ATOM 450 N GLU A 36 2.086 -4.319 -4.463 1.00 60.32 N ATOM 451 CA GLU A 36 3.134 -4.577 -5.428 1.00 10.10 C ATOM 452 C GLU A 36 4.281 -3.606 -5.223 1.00 72.22 C ATOM 453 O GLU A 36 4.073 -2.433 -4.904 1.00 2.54 O ATOM 454 CB GLU A 36 2.611 -4.446 -6.859 1.00 75.50 C ATOM 455 CG GLU A 36 1.644 -5.540 -7.269 1.00 55.44 C ATOM 456 CD GLU A 36 1.253 -5.437 -8.728 1.00 45.35 C ATOM 457 OE1 GLU A 36 2.149 -5.235 -9.575 1.00 41.42 O ATOM 458 OE2 GLU A 36 0.048 -5.552 -9.037 1.00 2.41 O ATOM 0 H GLU A 36 1.521 -3.493 -4.659 1.00 60.32 H new ATOM 0 HA GLU A 36 3.484 -5.598 -5.277 1.00 10.10 H new ATOM 0 HB2 GLU A 36 2.117 -3.480 -6.967 1.00 75.50 H new ATOM 0 HB3 GLU A 36 3.458 -4.449 -7.545 1.00 75.50 H new ATOM 0 HG2 GLU A 36 2.099 -6.513 -7.084 1.00 55.44 H new ATOM 0 HG3 GLU A 36 0.749 -5.483 -6.649 1.00 55.44 H new ATOM 465 N THR A 37 5.489 -4.106 -5.387 1.00 25.22 N ATOM 466 CA THR A 37 6.670 -3.282 -5.273 1.00 51.05 C ATOM 467 C THR A 37 6.812 -2.401 -6.513 1.00 45.30 C ATOM 468 O THR A 37 7.189 -2.881 -7.583 1.00 70.53 O ATOM 469 CB THR A 37 7.915 -4.170 -5.131 1.00 53.13 C ATOM 470 OG1 THR A 37 7.537 -5.414 -4.526 1.00 33.13 O ATOM 471 CG2 THR A 37 8.982 -3.498 -4.280 1.00 12.12 C ATOM 0 H THR A 37 5.677 -5.086 -5.601 1.00 25.22 H new ATOM 0 HA THR A 37 6.575 -2.650 -4.390 1.00 51.05 H new ATOM 0 HB THR A 37 8.331 -4.340 -6.124 1.00 53.13 H new ATOM 0 HG1 THR A 37 7.082 -5.239 -3.676 1.00 33.13 H new ATOM 0 HG21 THR A 37 9.849 -4.153 -4.200 1.00 12.12 H new ATOM 0 HG22 THR A 37 9.279 -2.558 -4.745 1.00 12.12 H new ATOM 0 HG23 THR A 37 8.583 -3.301 -3.285 1.00 12.12 H new ATOM 479 N GLU A 38 6.489 -1.123 -6.372 1.00 12.43 N ATOM 480 CA GLU A 38 6.562 -0.196 -7.491 1.00 61.11 C ATOM 481 C GLU A 38 8.018 0.109 -7.818 1.00 44.03 C ATOM 482 O GLU A 38 8.848 0.270 -6.921 1.00 2.11 O ATOM 483 CB GLU A 38 5.797 1.098 -7.187 1.00 42.52 C ATOM 484 CG GLU A 38 4.318 0.878 -6.902 1.00 31.34 C ATOM 485 CD GLU A 38 3.511 2.165 -6.908 1.00 52.13 C ATOM 486 OE1 GLU A 38 3.631 2.953 -5.952 1.00 22.32 O ATOM 487 OE2 GLU A 38 2.745 2.387 -7.877 1.00 61.13 O ATOM 0 H GLU A 38 6.175 -0.706 -5.496 1.00 12.43 H new ATOM 0 HA GLU A 38 6.094 -0.664 -8.357 1.00 61.11 H new ATOM 0 HB2 GLU A 38 6.255 1.588 -6.328 1.00 42.52 H new ATOM 0 HB3 GLU A 38 5.898 1.778 -8.033 1.00 42.52 H new ATOM 0 HG2 GLU A 38 3.908 0.196 -7.647 1.00 31.34 H new ATOM 0 HG3 GLU A 38 4.209 0.393 -5.932 1.00 31.34 H new ATOM 494 N THR A 39 8.332 0.156 -9.101 1.00 11.54 N ATOM 495 CA THR A 39 9.694 0.395 -9.533 1.00 73.24 C ATOM 496 C THR A 39 9.748 1.550 -10.531 1.00 25.25 C ATOM 497 O THR A 39 8.764 1.840 -11.213 1.00 41.30 O ATOM 498 CB THR A 39 10.316 -0.881 -10.151 1.00 4.23 C ATOM 499 OG1 THR A 39 11.705 -0.669 -10.430 1.00 11.34 O ATOM 500 CG2 THR A 39 9.594 -1.287 -11.429 1.00 52.35 C ATOM 0 H THR A 39 7.662 0.032 -9.860 1.00 11.54 H new ATOM 0 HA THR A 39 10.280 0.666 -8.655 1.00 73.24 H new ATOM 0 HB THR A 39 10.209 -1.687 -9.426 1.00 4.23 H new ATOM 0 HG1 THR A 39 12.088 -1.483 -10.819 1.00 11.34 H new ATOM 0 HG21 THR A 39 10.055 -2.186 -11.838 1.00 52.35 H new ATOM 0 HG22 THR A 39 8.546 -1.486 -11.207 1.00 52.35 H new ATOM 0 HG23 THR A 39 9.664 -0.480 -12.158 1.00 52.35 H new ATOM 508 N GLY A 40 10.889 2.222 -10.594 1.00 41.20 N ATOM 509 CA GLY A 40 11.040 3.347 -11.490 1.00 12.31 C ATOM 510 C GLY A 40 10.941 4.668 -10.757 1.00 65.44 C ATOM 511 O GLY A 40 11.394 5.699 -11.255 1.00 61.13 O ATOM 0 H GLY A 40 11.716 2.005 -10.037 1.00 41.20 H new ATOM 0 HA2 GLY A 40 12.004 3.283 -11.994 1.00 12.31 H new ATOM 0 HA3 GLY A 40 10.272 3.302 -12.263 1.00 12.31 H new ATOM 515 N GLU A 41 10.363 4.632 -9.564 1.00 32.13 N ATOM 516 CA GLU A 41 10.192 5.831 -8.758 1.00 34.30 C ATOM 517 C GLU A 41 11.344 5.940 -7.755 1.00 1.15 C ATOM 518 O GLU A 41 11.954 4.933 -7.396 1.00 54.01 O ATOM 519 CB GLU A 41 8.841 5.781 -8.033 1.00 73.34 C ATOM 520 CG GLU A 41 8.102 7.113 -7.987 1.00 21.43 C ATOM 521 CD GLU A 41 8.863 8.185 -7.240 1.00 44.43 C ATOM 522 OE1 GLU A 41 8.718 8.278 -6.006 1.00 14.13 O ATOM 523 OE2 GLU A 41 9.629 8.930 -7.882 1.00 33.22 O ATOM 0 H GLU A 41 10.003 3.781 -9.132 1.00 32.13 H new ATOM 0 HA GLU A 41 10.204 6.711 -9.401 1.00 34.30 H new ATOM 0 HB2 GLU A 41 8.206 5.044 -8.524 1.00 73.34 H new ATOM 0 HB3 GLU A 41 9.003 5.433 -7.013 1.00 73.34 H new ATOM 0 HG2 GLU A 41 7.912 7.452 -9.005 1.00 21.43 H new ATOM 0 HG3 GLU A 41 7.131 6.967 -7.513 1.00 21.43 H new ATOM 530 N GLY A 42 11.646 7.157 -7.323 1.00 73.42 N ATOM 531 CA GLY A 42 12.742 7.368 -6.397 1.00 63.20 C ATOM 532 C GLY A 42 12.328 7.189 -4.949 1.00 33.20 C ATOM 533 O GLY A 42 13.130 6.766 -4.112 1.00 74.20 O ATOM 0 H GLY A 42 11.150 8.005 -7.598 1.00 73.42 H new ATOM 0 HA2 GLY A 42 13.547 6.671 -6.629 1.00 63.20 H new ATOM 0 HA3 GLY A 42 13.140 8.373 -6.535 1.00 63.20 H new ATOM 537 N ALA A 43 11.078 7.511 -4.646 1.00 71.24 N ATOM 538 CA ALA A 43 10.572 7.401 -3.287 1.00 1.42 C ATOM 539 C ALA A 43 9.535 6.293 -3.180 1.00 53.21 C ATOM 540 O ALA A 43 9.651 5.407 -2.335 1.00 71.03 O ATOM 541 CB ALA A 43 9.985 8.729 -2.826 1.00 31.50 C ATOM 0 H ALA A 43 10.396 7.851 -5.324 1.00 71.24 H new ATOM 0 HA ALA A 43 11.407 7.146 -2.635 1.00 1.42 H new ATOM 0 HB1 ALA A 43 9.611 8.628 -1.807 1.00 31.50 H new ATOM 0 HB2 ALA A 43 10.757 9.498 -2.854 1.00 31.50 H new ATOM 0 HB3 ALA A 43 9.166 9.013 -3.486 1.00 31.50 H new ATOM 547 N ALA A 44 8.532 6.341 -4.050 1.00 13.12 N ATOM 548 CA ALA A 44 7.462 5.352 -4.039 1.00 5.22 C ATOM 549 C ALA A 44 7.985 3.980 -4.447 1.00 22.33 C ATOM 550 O ALA A 44 8.215 3.709 -5.625 1.00 54.23 O ATOM 551 CB ALA A 44 6.323 5.791 -4.948 1.00 24.20 C ATOM 0 H ALA A 44 8.438 7.055 -4.772 1.00 13.12 H new ATOM 0 HA ALA A 44 7.078 5.274 -3.022 1.00 5.22 H new ATOM 0 HB1 ALA A 44 5.532 5.041 -4.928 1.00 24.20 H new ATOM 0 HB2 ALA A 44 5.927 6.745 -4.600 1.00 24.20 H new ATOM 0 HB3 ALA A 44 6.693 5.901 -5.967 1.00 24.20 H new ATOM 557 N ALA A 45 8.192 3.125 -3.458 1.00 63.20 N ATOM 558 CA ALA A 45 8.732 1.799 -3.699 1.00 61.11 C ATOM 559 C ALA A 45 7.681 0.723 -3.457 1.00 2.30 C ATOM 560 O ALA A 45 7.866 -0.435 -3.836 1.00 52.42 O ATOM 561 CB ALA A 45 9.948 1.561 -2.819 1.00 51.41 C ATOM 0 H ALA A 45 7.993 3.328 -2.478 1.00 63.20 H new ATOM 0 HA ALA A 45 9.035 1.741 -4.745 1.00 61.11 H new ATOM 0 HB1 ALA A 45 10.344 0.563 -3.008 1.00 51.41 H new ATOM 0 HB2 ALA A 45 10.712 2.304 -3.046 1.00 51.41 H new ATOM 0 HB3 ALA A 45 9.661 1.644 -1.771 1.00 51.41 H new ATOM 567 N TYR A 46 6.583 1.105 -2.818 1.00 0.23 N ATOM 568 CA TYR A 46 5.511 0.169 -2.513 1.00 42.30 C ATOM 569 C TYR A 46 4.163 0.804 -2.844 1.00 22.24 C ATOM 570 O TYR A 46 3.902 1.948 -2.458 1.00 23.23 O ATOM 571 CB TYR A 46 5.531 -0.217 -1.027 1.00 12.04 C ATOM 572 CG TYR A 46 6.896 -0.585 -0.484 1.00 25.11 C ATOM 573 CD1 TYR A 46 7.723 0.384 0.070 1.00 42.01 C ATOM 574 CD2 TYR A 46 7.351 -1.898 -0.507 1.00 63.41 C ATOM 575 CE1 TYR A 46 8.964 0.059 0.578 1.00 62.21 C ATOM 576 CE2 TYR A 46 8.595 -2.229 0.006 1.00 11.22 C ATOM 577 CZ TYR A 46 9.393 -1.244 0.546 1.00 31.31 C ATOM 578 OH TYR A 46 10.630 -1.564 1.062 1.00 11.34 O ATOM 0 H TYR A 46 6.412 2.059 -2.501 1.00 0.23 H new ATOM 0 HA TYR A 46 5.659 -0.728 -3.114 1.00 42.30 H new ATOM 0 HB2 TYR A 46 5.136 0.616 -0.445 1.00 12.04 H new ATOM 0 HB3 TYR A 46 4.856 -1.060 -0.876 1.00 12.04 H new ATOM 0 HD1 TYR A 46 7.388 1.410 0.104 1.00 42.01 H new ATOM 0 HD2 TYR A 46 6.727 -2.671 -0.930 1.00 63.41 H new ATOM 0 HE1 TYR A 46 9.595 0.827 0.999 1.00 62.21 H new ATOM 0 HE2 TYR A 46 8.937 -3.253 -0.017 1.00 11.22 H new ATOM 0 HH TYR A 46 11.039 -0.763 1.452 1.00 11.34 H new ATOM 588 N GLY A 47 3.311 0.062 -3.543 1.00 33.00 N ATOM 589 CA GLY A 47 1.986 0.555 -3.859 1.00 55.42 C ATOM 590 C GLY A 47 0.908 -0.277 -3.190 1.00 11.43 C ATOM 591 O GLY A 47 0.711 -1.442 -3.535 1.00 41.32 O ATOM 0 H GLY A 47 3.516 -0.873 -3.896 1.00 33.00 H new ATOM 0 HA2 GLY A 47 1.897 1.593 -3.538 1.00 55.42 H new ATOM 0 HA3 GLY A 47 1.840 0.541 -4.939 1.00 55.42 H new ATOM 595 N VAL A 48 0.207 0.330 -2.239 1.00 3.45 N ATOM 596 CA VAL A 48 -0.802 -0.368 -1.450 1.00 51.15 C ATOM 597 C VAL A 48 -2.195 -0.145 -2.025 1.00 41.14 C ATOM 598 O VAL A 48 -2.592 0.989 -2.272 1.00 60.51 O ATOM 599 CB VAL A 48 -0.792 0.110 0.022 1.00 35.22 C ATOM 600 CG1 VAL A 48 -1.714 -0.748 0.871 1.00 4.10 C ATOM 601 CG2 VAL A 48 0.624 0.109 0.589 1.00 40.44 C ATOM 0 H VAL A 48 0.321 1.314 -1.994 1.00 3.45 H new ATOM 0 HA VAL A 48 -0.556 -1.429 -1.487 1.00 51.15 H new ATOM 0 HB VAL A 48 -1.161 1.135 0.046 1.00 35.22 H new ATOM 0 HG11 VAL A 48 -1.692 -0.395 1.902 1.00 4.10 H new ATOM 0 HG12 VAL A 48 -2.731 -0.680 0.486 1.00 4.10 H new ATOM 0 HG13 VAL A 48 -1.381 -1.785 0.835 1.00 4.10 H new ATOM 0 HG21 VAL A 48 0.602 0.449 1.624 1.00 40.44 H new ATOM 0 HG22 VAL A 48 1.032 -0.901 0.548 1.00 40.44 H new ATOM 0 HG23 VAL A 48 1.252 0.778 0.001 1.00 40.44 H new ATOM 611 N LEU A 49 -2.939 -1.224 -2.230 1.00 1.43 N ATOM 612 CA LEU A 49 -4.302 -1.113 -2.730 1.00 24.11 C ATOM 613 C LEU A 49 -5.305 -1.288 -1.590 1.00 52.51 C ATOM 614 O LEU A 49 -5.435 -2.370 -1.014 1.00 51.42 O ATOM 615 CB LEU A 49 -4.556 -2.124 -3.859 1.00 10.00 C ATOM 616 CG LEU A 49 -4.278 -3.593 -3.528 1.00 44.52 C ATOM 617 CD1 LEU A 49 -5.579 -4.381 -3.472 1.00 63.21 C ATOM 618 CD2 LEU A 49 -3.328 -4.192 -4.554 1.00 54.41 C ATOM 0 H LEU A 49 -2.624 -2.179 -2.059 1.00 1.43 H new ATOM 0 HA LEU A 49 -4.437 -0.115 -3.147 1.00 24.11 H new ATOM 0 HB2 LEU A 49 -5.597 -2.034 -4.171 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -3.941 -1.844 -4.714 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.805 -3.648 -2.547 1.00 44.52 H new ATOM 0 HD11 LEU A 49 -5.363 -5.423 -3.236 1.00 63.21 H new ATOM 0 HD12 LEU A 49 -6.226 -3.961 -2.702 1.00 63.21 H new ATOM 0 HD13 LEU A 49 -6.081 -4.324 -4.438 1.00 63.21 H new ATOM 0 HD21 LEU A 49 -3.138 -5.237 -4.308 1.00 54.41 H new ATOM 0 HD22 LEU A 49 -3.776 -4.129 -5.546 1.00 54.41 H new ATOM 0 HD23 LEU A 49 -2.388 -3.640 -4.545 1.00 54.41 H new ATOM 630 N VAL A 50 -5.988 -0.204 -1.252 1.00 34.43 N ATOM 631 CA VAL A 50 -6.929 -0.202 -0.143 1.00 21.10 C ATOM 632 C VAL A 50 -8.353 0.023 -0.637 1.00 1.55 C ATOM 633 O VAL A 50 -8.655 1.048 -1.251 1.00 30.04 O ATOM 634 CB VAL A 50 -6.574 0.893 0.887 1.00 53.24 C ATOM 635 CG1 VAL A 50 -7.531 0.856 2.066 1.00 1.11 C ATOM 636 CG2 VAL A 50 -5.136 0.741 1.357 1.00 52.53 C ATOM 0 H VAL A 50 -5.907 0.691 -1.734 1.00 34.43 H new ATOM 0 HA VAL A 50 -6.863 -1.179 0.336 1.00 21.10 H new ATOM 0 HB VAL A 50 -6.674 1.863 0.400 1.00 53.24 H new ATOM 0 HG11 VAL A 50 -7.261 1.636 2.778 1.00 1.11 H new ATOM 0 HG12 VAL A 50 -8.549 1.022 1.714 1.00 1.11 H new ATOM 0 HG13 VAL A 50 -7.470 -0.117 2.553 1.00 1.11 H new ATOM 0 HG21 VAL A 50 -4.906 1.522 2.082 1.00 52.53 H new ATOM 0 HG22 VAL A 50 -5.007 -0.236 1.823 1.00 52.53 H new ATOM 0 HG23 VAL A 50 -4.463 0.828 0.504 1.00 52.53 H new ATOM 646 N THR A 51 -9.222 -0.939 -0.374 1.00 21.43 N ATOM 647 CA THR A 51 -10.622 -0.813 -0.726 1.00 1.00 C ATOM 648 C THR A 51 -11.433 -0.443 0.511 1.00 64.03 C ATOM 649 O THR A 51 -11.665 -1.275 1.391 1.00 33.03 O ATOM 650 CB THR A 51 -11.161 -2.121 -1.334 1.00 51.25 C ATOM 651 OG1 THR A 51 -10.285 -2.555 -2.386 1.00 55.32 O ATOM 652 CG2 THR A 51 -12.566 -1.926 -1.885 1.00 61.24 C ATOM 0 H THR A 51 -8.979 -1.818 0.084 1.00 21.43 H new ATOM 0 HA THR A 51 -10.718 -0.026 -1.474 1.00 1.00 H new ATOM 0 HB THR A 51 -11.202 -2.877 -0.550 1.00 51.25 H new ATOM 0 HG1 THR A 51 -10.626 -3.388 -2.773 1.00 55.32 H new ATOM 0 HG21 THR A 51 -12.924 -2.864 -2.309 1.00 61.24 H new ATOM 0 HG22 THR A 51 -13.232 -1.613 -1.081 1.00 61.24 H new ATOM 0 HG23 THR A 51 -12.550 -1.160 -2.661 1.00 61.24 H new ATOM 660 N ARG A 52 -11.832 0.818 0.589 1.00 60.24 N ATOM 661 CA ARG A 52 -12.578 1.311 1.738 1.00 31.34 C ATOM 662 C ARG A 52 -14.024 0.835 1.684 1.00 74.11 C ATOM 663 O ARG A 52 -14.591 0.685 0.600 1.00 54.04 O ATOM 664 CB ARG A 52 -12.530 2.841 1.800 1.00 72.11 C ATOM 665 CG ARG A 52 -11.185 3.391 2.242 1.00 23.44 C ATOM 666 CD ARG A 52 -11.224 4.905 2.377 1.00 31.14 C ATOM 667 NE ARG A 52 -10.092 5.417 3.146 1.00 3.03 N ATOM 668 CZ ARG A 52 -10.205 6.329 4.114 1.00 13.33 C ATOM 669 NH1 ARG A 52 -11.381 6.879 4.380 1.00 44.55 N ATOM 670 NH2 ARG A 52 -9.137 6.703 4.802 1.00 42.25 N ATOM 0 H ARG A 52 -11.652 1.519 -0.130 1.00 60.24 H new ATOM 0 HA ARG A 52 -12.112 0.912 2.639 1.00 31.34 H new ATOM 0 HB2 ARG A 52 -12.772 3.244 0.816 1.00 72.11 H new ATOM 0 HB3 ARG A 52 -13.300 3.193 2.487 1.00 72.11 H new ATOM 0 HG2 ARG A 52 -10.904 2.946 3.196 1.00 23.44 H new ATOM 0 HG3 ARG A 52 -10.419 3.108 1.520 1.00 23.44 H new ATOM 0 HD2 ARG A 52 -11.222 5.357 1.385 1.00 31.14 H new ATOM 0 HD3 ARG A 52 -12.155 5.202 2.861 1.00 31.14 H new ATOM 0 HE ARG A 52 -9.162 5.057 2.931 1.00 3.03 H new ATOM 0 HH11 ARG A 52 -12.205 6.606 3.844 1.00 44.55 H new ATOM 0 HH12 ARG A 52 -11.462 7.576 5.121 1.00 44.55 H new ATOM 0 HH21 ARG A 52 -8.226 6.294 4.592 1.00 42.25 H new ATOM 0 HH22 ARG A 52 -9.225 7.400 5.541 1.00 42.25 H new ATOM 684 N PRO A 53 -14.645 0.608 2.858 1.00 4.32 N ATOM 685 CA PRO A 53 -16.028 0.118 2.955 1.00 41.21 C ATOM 686 C PRO A 53 -17.028 1.050 2.276 1.00 50.44 C ATOM 687 O PRO A 53 -18.149 0.653 1.961 1.00 23.02 O ATOM 688 CB PRO A 53 -16.294 0.057 4.464 1.00 43.53 C ATOM 689 CG PRO A 53 -15.240 0.906 5.086 1.00 64.11 C ATOM 690 CD PRO A 53 -14.044 0.800 4.189 1.00 2.43 C ATOM 0 HA PRO A 53 -16.147 -0.842 2.453 1.00 41.21 H new ATOM 0 HB2 PRO A 53 -17.290 0.430 4.703 1.00 43.53 H new ATOM 0 HB3 PRO A 53 -16.240 -0.968 4.831 1.00 43.53 H new ATOM 0 HG2 PRO A 53 -15.573 1.940 5.173 1.00 64.11 H new ATOM 0 HG3 PRO A 53 -15.005 0.561 6.093 1.00 64.11 H new ATOM 0 HD2 PRO A 53 -13.429 1.699 4.228 1.00 2.43 H new ATOM 0 HD3 PRO A 53 -13.403 -0.037 4.467 1.00 2.43 H new ATOM 698 N ASP A 54 -16.607 2.288 2.047 1.00 44.43 N ATOM 699 CA ASP A 54 -17.438 3.280 1.375 1.00 42.02 C ATOM 700 C ASP A 54 -17.608 2.937 -0.102 1.00 31.25 C ATOM 701 O ASP A 54 -18.477 3.482 -0.778 1.00 62.33 O ATOM 702 CB ASP A 54 -16.817 4.671 1.505 1.00 15.31 C ATOM 703 CG ASP A 54 -16.584 5.075 2.944 1.00 25.24 C ATOM 704 OD1 ASP A 54 -17.506 5.641 3.568 1.00 24.23 O ATOM 705 OD2 ASP A 54 -15.470 4.832 3.456 1.00 64.32 O ATOM 0 H ASP A 54 -15.686 2.631 2.320 1.00 44.43 H new ATOM 0 HA ASP A 54 -18.417 3.275 1.853 1.00 42.02 H new ATOM 0 HB2 ASP A 54 -15.869 4.693 0.968 1.00 15.31 H new ATOM 0 HB3 ASP A 54 -17.470 5.402 1.028 1.00 15.31 H new ATOM 710 N GLY A 55 -16.770 2.034 -0.601 1.00 31.34 N ATOM 711 CA GLY A 55 -16.864 1.628 -1.991 1.00 35.01 C ATOM 712 C GLY A 55 -15.925 2.410 -2.885 1.00 61.45 C ATOM 713 O GLY A 55 -16.237 2.674 -4.047 1.00 33.52 O ATOM 0 H GLY A 55 -16.029 1.577 -0.069 1.00 31.34 H new ATOM 0 HA2 GLY A 55 -16.638 0.565 -2.072 1.00 35.01 H new ATOM 0 HA3 GLY A 55 -17.888 1.763 -2.338 1.00 35.01 H new ATOM 717 N THR A 56 -14.779 2.789 -2.342 1.00 61.20 N ATOM 718 CA THR A 56 -13.794 3.550 -3.092 1.00 42.42 C ATOM 719 C THR A 56 -12.413 2.907 -2.962 1.00 63.13 C ATOM 720 O THR A 56 -12.090 2.304 -1.931 1.00 14.34 O ATOM 721 CB THR A 56 -13.746 5.024 -2.626 1.00 21.34 C ATOM 722 OG1 THR A 56 -12.807 5.761 -3.414 1.00 10.31 O ATOM 723 CG2 THR A 56 -13.374 5.129 -1.152 1.00 41.14 C ATOM 0 H THR A 56 -14.508 2.581 -1.381 1.00 61.20 H new ATOM 0 HA THR A 56 -14.092 3.540 -4.140 1.00 42.42 H new ATOM 0 HB THR A 56 -14.742 5.447 -2.758 1.00 21.34 H new ATOM 0 HG1 THR A 56 -12.786 6.693 -3.111 1.00 10.31 H new ATOM 0 HG21 THR A 56 -13.349 6.178 -0.857 1.00 41.14 H new ATOM 0 HG22 THR A 56 -14.114 4.600 -0.551 1.00 41.14 H new ATOM 0 HG23 THR A 56 -12.392 4.684 -0.992 1.00 41.14 H new ATOM 731 N ARG A 57 -11.610 3.026 -4.012 1.00 53.52 N ATOM 732 CA ARG A 57 -10.289 2.417 -4.043 1.00 70.10 C ATOM 733 C ARG A 57 -9.207 3.480 -3.904 1.00 42.23 C ATOM 734 O ARG A 57 -9.121 4.405 -4.709 1.00 64.43 O ATOM 735 CB ARG A 57 -10.099 1.636 -5.345 1.00 73.41 C ATOM 736 CG ARG A 57 -8.760 0.922 -5.444 1.00 74.10 C ATOM 737 CD ARG A 57 -8.667 0.097 -6.717 1.00 41.12 C ATOM 738 NE ARG A 57 -7.360 -0.541 -6.860 1.00 4.13 N ATOM 739 CZ ARG A 57 -7.143 -1.639 -7.584 1.00 70.52 C ATOM 740 NH1 ARG A 57 -8.143 -2.243 -8.208 1.00 54.51 N ATOM 741 NH2 ARG A 57 -5.921 -2.139 -7.679 1.00 54.42 N ATOM 0 H ARG A 57 -11.854 3.542 -4.857 1.00 53.52 H new ATOM 0 HA ARG A 57 -10.205 1.727 -3.203 1.00 70.10 H new ATOM 0 HB2 ARG A 57 -10.899 0.902 -5.437 1.00 73.41 H new ATOM 0 HB3 ARG A 57 -10.197 2.322 -6.187 1.00 73.41 H new ATOM 0 HG2 ARG A 57 -7.953 1.654 -5.423 1.00 74.10 H new ATOM 0 HG3 ARG A 57 -8.626 0.274 -4.578 1.00 74.10 H new ATOM 0 HD2 ARG A 57 -9.445 -0.667 -6.712 1.00 41.12 H new ATOM 0 HD3 ARG A 57 -8.854 0.737 -7.579 1.00 41.12 H new ATOM 0 HE ARG A 57 -6.566 -0.121 -6.377 1.00 4.13 H new ATOM 0 HH11 ARG A 57 -9.089 -1.868 -8.137 1.00 54.51 H new ATOM 0 HH12 ARG A 57 -7.967 -3.083 -8.760 1.00 54.51 H new ATOM 0 HH21 ARG A 57 -5.145 -1.684 -7.198 1.00 54.42 H new ATOM 0 HH22 ARG A 57 -5.755 -2.979 -8.233 1.00 54.42 H new ATOM 755 N VAL A 58 -8.394 3.340 -2.873 1.00 44.32 N ATOM 756 CA VAL A 58 -7.313 4.276 -2.605 1.00 4.45 C ATOM 757 C VAL A 58 -5.982 3.543 -2.642 1.00 32.43 C ATOM 758 O VAL A 58 -5.853 2.462 -2.067 1.00 0.21 O ATOM 759 CB VAL A 58 -7.480 4.946 -1.220 1.00 11.21 C ATOM 760 CG1 VAL A 58 -6.374 5.959 -0.960 1.00 13.11 C ATOM 761 CG2 VAL A 58 -8.845 5.604 -1.098 1.00 61.34 C ATOM 0 H VAL A 58 -8.462 2.578 -2.199 1.00 44.32 H new ATOM 0 HA VAL A 58 -7.341 5.050 -3.372 1.00 4.45 H new ATOM 0 HB VAL A 58 -7.406 4.165 -0.464 1.00 11.21 H new ATOM 0 HG11 VAL A 58 -6.519 6.412 0.021 1.00 13.11 H new ATOM 0 HG12 VAL A 58 -5.407 5.457 -0.988 1.00 13.11 H new ATOM 0 HG13 VAL A 58 -6.403 6.734 -1.726 1.00 13.11 H new ATOM 0 HG21 VAL A 58 -8.939 6.068 -0.116 1.00 61.34 H new ATOM 0 HG22 VAL A 58 -8.952 6.365 -1.871 1.00 61.34 H new ATOM 0 HG23 VAL A 58 -9.624 4.851 -1.219 1.00 61.34 H new ATOM 771 N GLU A 59 -4.995 4.106 -3.324 1.00 12.51 N ATOM 772 CA GLU A 59 -3.680 3.495 -3.351 1.00 74.03 C ATOM 773 C GLU A 59 -2.700 4.303 -2.512 1.00 23.03 C ATOM 774 O GLU A 59 -2.532 5.506 -2.706 1.00 40.13 O ATOM 775 CB GLU A 59 -3.164 3.298 -4.785 1.00 4.53 C ATOM 776 CG GLU A 59 -3.077 4.563 -5.626 1.00 41.34 C ATOM 777 CD GLU A 59 -2.539 4.284 -7.018 1.00 75.01 C ATOM 778 OE1 GLU A 59 -1.302 4.309 -7.203 1.00 3.10 O ATOM 779 OE2 GLU A 59 -3.350 4.023 -7.929 1.00 0.11 O ATOM 0 H GLU A 59 -5.079 4.971 -3.857 1.00 12.51 H new ATOM 0 HA GLU A 59 -3.768 2.501 -2.913 1.00 74.03 H new ATOM 0 HB2 GLU A 59 -2.174 2.844 -4.738 1.00 4.53 H new ATOM 0 HB3 GLU A 59 -3.816 2.588 -5.294 1.00 4.53 H new ATOM 0 HG2 GLU A 59 -4.065 5.016 -5.703 1.00 41.34 H new ATOM 0 HG3 GLU A 59 -2.433 5.287 -5.127 1.00 41.34 H new ATOM 786 N VAL A 60 -2.081 3.630 -1.557 1.00 42.41 N ATOM 787 CA VAL A 60 -1.146 4.266 -0.649 1.00 61.15 C ATOM 788 C VAL A 60 0.273 4.095 -1.166 1.00 13.13 C ATOM 789 O VAL A 60 0.712 2.978 -1.447 1.00 41.10 O ATOM 790 CB VAL A 60 -1.244 3.667 0.770 1.00 54.42 C ATOM 791 CG1 VAL A 60 -0.382 4.444 1.748 1.00 2.52 C ATOM 792 CG2 VAL A 60 -2.689 3.625 1.240 1.00 33.21 C ATOM 0 H VAL A 60 -2.212 2.632 -1.391 1.00 42.41 H new ATOM 0 HA VAL A 60 -1.400 5.325 -0.596 1.00 61.15 H new ATOM 0 HB VAL A 60 -0.870 2.644 0.730 1.00 54.42 H new ATOM 0 HG11 VAL A 60 -0.469 4.002 2.740 1.00 2.52 H new ATOM 0 HG12 VAL A 60 0.658 4.408 1.424 1.00 2.52 H new ATOM 0 HG13 VAL A 60 -0.715 5.481 1.783 1.00 2.52 H new ATOM 0 HG21 VAL A 60 -2.733 3.199 2.242 1.00 33.21 H new ATOM 0 HG22 VAL A 60 -3.096 4.636 1.257 1.00 33.21 H new ATOM 0 HG23 VAL A 60 -3.276 3.010 0.558 1.00 33.21 H new ATOM 802 N HIS A 61 0.980 5.200 -1.307 1.00 1.44 N ATOM 803 CA HIS A 61 2.346 5.165 -1.805 1.00 34.54 C ATOM 804 C HIS A 61 3.335 5.241 -0.653 1.00 42.40 C ATOM 805 O HIS A 61 3.299 6.171 0.158 1.00 72.31 O ATOM 806 CB HIS A 61 2.581 6.303 -2.793 1.00 34.33 C ATOM 807 CG HIS A 61 1.808 6.148 -4.070 1.00 41.52 C ATOM 808 ND1 HIS A 61 0.611 6.788 -4.319 1.00 43.54 N ATOM 809 CD2 HIS A 61 2.063 5.403 -5.172 1.00 64.54 C ATOM 810 CE1 HIS A 61 0.171 6.443 -5.512 1.00 33.34 C ATOM 811 NE2 HIS A 61 1.028 5.601 -6.052 1.00 63.34 N ATOM 0 H HIS A 61 0.633 6.133 -1.085 1.00 1.44 H new ATOM 0 HA HIS A 61 2.501 4.220 -2.326 1.00 34.54 H new ATOM 0 HB2 HIS A 61 2.306 7.247 -2.322 1.00 34.33 H new ATOM 0 HB3 HIS A 61 3.645 6.360 -3.025 1.00 34.33 H new ATOM 0 HD1 HIS A 61 0.140 7.428 -3.679 1.00 43.54 H new ATOM 0 HD2 HIS A 61 2.923 4.769 -5.330 1.00 64.54 H new ATOM 0 HE1 HIS A 61 -0.742 6.793 -5.971 1.00 33.34 H new ATOM 820 N LEU A 62 4.209 4.248 -0.581 1.00 44.33 N ATOM 821 CA LEU A 62 5.174 4.142 0.504 1.00 51.02 C ATOM 822 C LEU A 62 6.593 4.360 -0.002 1.00 31.13 C ATOM 823 O LEU A 62 6.909 4.038 -1.148 1.00 2.23 O ATOM 824 CB LEU A 62 5.053 2.763 1.154 1.00 2.41 C ATOM 825 CG LEU A 62 4.231 2.699 2.447 1.00 52.23 C ATOM 826 CD1 LEU A 62 3.151 3.770 2.478 1.00 54.43 C ATOM 827 CD2 LEU A 62 3.584 1.337 2.575 1.00 10.43 C ATOM 0 H LEU A 62 4.270 3.497 -1.269 1.00 44.33 H new ATOM 0 HA LEU A 62 4.959 4.916 1.241 1.00 51.02 H new ATOM 0 HB2 LEU A 62 4.609 2.080 0.430 1.00 2.41 H new ATOM 0 HB3 LEU A 62 6.056 2.394 1.366 1.00 2.41 H new ATOM 0 HG LEU A 62 4.911 2.873 3.281 1.00 52.23 H new ATOM 0 HD11 LEU A 62 2.589 3.693 3.409 1.00 54.43 H new ATOM 0 HD12 LEU A 62 3.613 4.755 2.413 1.00 54.43 H new ATOM 0 HD13 LEU A 62 2.475 3.630 1.634 1.00 54.43 H new ATOM 0 HD21 LEU A 62 3.001 1.296 3.495 1.00 10.43 H new ATOM 0 HD22 LEU A 62 2.928 1.164 1.722 1.00 10.43 H new ATOM 0 HD23 LEU A 62 4.356 0.568 2.600 1.00 10.43 H new ATOM 839 N ASP A 63 7.443 4.893 0.865 1.00 4.43 N ATOM 840 CA ASP A 63 8.837 5.150 0.523 1.00 22.15 C ATOM 841 C ASP A 63 9.689 3.930 0.865 1.00 72.10 C ATOM 842 O ASP A 63 9.198 2.986 1.481 1.00 74.33 O ATOM 843 CB ASP A 63 9.334 6.401 1.273 1.00 64.03 C ATOM 844 CG ASP A 63 10.826 6.654 1.128 1.00 4.51 C ATOM 845 OD1 ASP A 63 11.253 7.192 0.084 1.00 61.45 O ATOM 846 OD2 ASP A 63 11.577 6.299 2.063 1.00 44.45 O ATOM 0 H ASP A 63 7.190 5.158 1.817 1.00 4.43 H new ATOM 0 HA ASP A 63 8.922 5.335 -0.548 1.00 22.15 H new ATOM 0 HB2 ASP A 63 8.790 7.272 0.907 1.00 64.03 H new ATOM 0 HB3 ASP A 63 9.094 6.297 2.331 1.00 64.03 H new ATOM 851 N ARG A 64 10.950 3.964 0.443 1.00 1.21 N ATOM 852 CA ARG A 64 11.909 2.875 0.638 1.00 13.25 C ATOM 853 C ARG A 64 11.824 2.284 2.045 1.00 44.44 C ATOM 854 O ARG A 64 11.691 1.071 2.215 1.00 34.23 O ATOM 855 CB ARG A 64 13.329 3.404 0.434 1.00 32.13 C ATOM 856 CG ARG A 64 13.426 4.539 -0.568 1.00 11.25 C ATOM 857 CD ARG A 64 14.639 5.407 -0.283 1.00 72.50 C ATOM 858 NE ARG A 64 14.676 5.836 1.116 1.00 31.24 N ATOM 859 CZ ARG A 64 14.923 7.081 1.518 1.00 2.53 C ATOM 860 NH1 ARG A 64 15.066 8.063 0.637 1.00 62.02 N ATOM 861 NH2 ARG A 64 14.992 7.344 2.813 1.00 24.42 N ATOM 0 H ARG A 64 11.344 4.763 -0.054 1.00 1.21 H new ATOM 0 HA ARG A 64 11.668 2.097 -0.086 1.00 13.25 H new ATOM 0 HB2 ARG A 64 13.720 3.745 1.393 1.00 32.13 H new ATOM 0 HB3 ARG A 64 13.967 2.585 0.103 1.00 32.13 H new ATOM 0 HG2 ARG A 64 13.492 4.134 -1.578 1.00 11.25 H new ATOM 0 HG3 ARG A 64 12.521 5.145 -0.526 1.00 11.25 H new ATOM 0 HD2 ARG A 64 15.548 4.853 -0.519 1.00 72.50 H new ATOM 0 HD3 ARG A 64 14.622 6.282 -0.933 1.00 72.50 H new ATOM 0 HE ARG A 64 14.500 5.132 1.833 1.00 31.24 H new ATOM 0 HH11 ARG A 64 14.987 7.868 -0.361 1.00 62.02 H new ATOM 0 HH12 ARG A 64 15.255 9.013 0.958 1.00 62.02 H new ATOM 0 HH21 ARG A 64 14.856 6.596 3.493 1.00 24.42 H new ATOM 0 HH22 ARG A 64 15.181 8.295 3.131 1.00 24.42 H new ATOM 875 N ASP A 65 11.897 3.156 3.046 1.00 25.23 N ATOM 876 CA ASP A 65 11.945 2.730 4.446 1.00 63.02 C ATOM 877 C ASP A 65 10.541 2.521 5.008 1.00 42.04 C ATOM 878 O ASP A 65 10.349 2.493 6.224 1.00 13.34 O ATOM 879 CB ASP A 65 12.685 3.772 5.295 1.00 42.25 C ATOM 880 CG ASP A 65 14.092 4.061 4.800 1.00 65.40 C ATOM 881 OD1 ASP A 65 14.995 3.231 5.032 1.00 50.44 O ATOM 882 OD2 ASP A 65 14.303 5.128 4.183 1.00 21.33 O ATOM 0 H ASP A 65 11.924 4.167 2.915 1.00 25.23 H new ATOM 0 HA ASP A 65 12.480 1.781 4.486 1.00 63.02 H new ATOM 0 HB2 ASP A 65 12.112 4.699 5.301 1.00 42.25 H new ATOM 0 HB3 ASP A 65 12.735 3.421 6.326 1.00 42.25 H new ATOM 887 N PHE A 66 9.571 2.373 4.108 1.00 53.25 N ATOM 888 CA PHE A 66 8.165 2.192 4.471 1.00 63.33 C ATOM 889 C PHE A 66 7.589 3.442 5.120 1.00 51.14 C ATOM 890 O PHE A 66 6.646 3.370 5.908 1.00 42.23 O ATOM 891 CB PHE A 66 7.964 0.970 5.371 1.00 53.45 C ATOM 892 CG PHE A 66 7.636 -0.270 4.597 1.00 61.03 C ATOM 893 CD1 PHE A 66 6.424 -0.375 3.940 1.00 51.21 C ATOM 894 CD2 PHE A 66 8.534 -1.320 4.514 1.00 42.20 C ATOM 895 CE1 PHE A 66 6.109 -1.502 3.218 1.00 10.14 C ATOM 896 CE2 PHE A 66 8.224 -2.455 3.789 1.00 53.42 C ATOM 897 CZ PHE A 66 7.007 -2.543 3.141 1.00 52.54 C ATOM 0 H PHE A 66 9.738 2.375 3.102 1.00 53.25 H new ATOM 0 HA PHE A 66 7.620 2.014 3.544 1.00 63.33 H new ATOM 0 HB2 PHE A 66 8.869 0.801 5.954 1.00 53.45 H new ATOM 0 HB3 PHE A 66 7.161 1.174 6.080 1.00 53.45 H new ATOM 0 HD1 PHE A 66 5.716 0.438 3.995 1.00 51.21 H new ATOM 0 HD2 PHE A 66 9.485 -1.252 5.020 1.00 42.20 H new ATOM 0 HE1 PHE A 66 5.158 -1.571 2.711 1.00 10.14 H new ATOM 0 HE2 PHE A 66 8.930 -3.270 3.729 1.00 53.42 H new ATOM 0 HZ PHE A 66 6.760 -3.428 2.574 1.00 52.54 H new ATOM 907 N ARG A 67 8.141 4.589 4.765 1.00 73.52 N ATOM 908 CA ARG A 67 7.593 5.857 5.210 1.00 24.23 C ATOM 909 C ARG A 67 6.400 6.216 4.332 1.00 15.13 C ATOM 910 O ARG A 67 6.519 6.255 3.107 1.00 52.34 O ATOM 911 CB ARG A 67 8.651 6.963 5.136 1.00 73.52 C ATOM 912 CG ARG A 67 8.222 8.259 5.806 1.00 41.30 C ATOM 913 CD ARG A 67 8.161 8.102 7.317 1.00 32.20 C ATOM 914 NE ARG A 67 7.520 9.241 7.970 1.00 62.12 N ATOM 915 CZ ARG A 67 8.104 10.000 8.897 1.00 42.20 C ATOM 916 NH1 ARG A 67 9.375 9.797 9.230 1.00 30.55 N ATOM 917 NH2 ARG A 67 7.416 10.980 9.476 1.00 54.43 N ATOM 0 H ARG A 67 8.967 4.668 4.171 1.00 73.52 H new ATOM 0 HA ARG A 67 7.275 5.764 6.248 1.00 24.23 H new ATOM 0 HB2 ARG A 67 9.569 6.608 5.604 1.00 73.52 H new ATOM 0 HB3 ARG A 67 8.883 7.164 4.090 1.00 73.52 H new ATOM 0 HG2 ARG A 67 8.922 9.054 5.548 1.00 41.30 H new ATOM 0 HG3 ARG A 67 7.245 8.560 5.429 1.00 41.30 H new ATOM 0 HD2 ARG A 67 7.615 7.191 7.563 1.00 32.20 H new ATOM 0 HD3 ARG A 67 9.171 7.984 7.708 1.00 32.20 H new ATOM 0 HE ARG A 67 6.564 9.470 7.699 1.00 62.12 H new ATOM 0 HH11 ARG A 67 9.909 9.057 8.775 1.00 30.55 H new ATOM 0 HH12 ARG A 67 9.816 10.382 9.940 1.00 30.55 H new ATOM 0 HH21 ARG A 67 6.446 11.148 9.210 1.00 54.43 H new ATOM 0 HH22 ARG A 67 7.859 11.563 10.186 1.00 54.43 H new ATOM 931 N VAL A 68 5.247 6.441 4.948 1.00 42.12 N ATOM 932 CA VAL A 68 4.049 6.798 4.199 1.00 35.31 C ATOM 933 C VAL A 68 4.240 8.138 3.489 1.00 5.23 C ATOM 934 O VAL A 68 4.570 9.150 4.113 1.00 30.31 O ATOM 935 CB VAL A 68 2.790 6.833 5.107 1.00 75.32 C ATOM 936 CG1 VAL A 68 2.967 7.809 6.259 1.00 3.42 C ATOM 937 CG2 VAL A 68 1.546 7.174 4.297 1.00 73.04 C ATOM 0 H VAL A 68 5.116 6.383 5.958 1.00 42.12 H new ATOM 0 HA VAL A 68 3.888 6.024 3.449 1.00 35.31 H new ATOM 0 HB VAL A 68 2.659 5.837 5.531 1.00 75.32 H new ATOM 0 HG11 VAL A 68 2.068 7.810 6.876 1.00 3.42 H new ATOM 0 HG12 VAL A 68 3.822 7.507 6.864 1.00 3.42 H new ATOM 0 HG13 VAL A 68 3.138 8.811 5.864 1.00 3.42 H new ATOM 0 HG21 VAL A 68 0.677 7.192 4.955 1.00 73.04 H new ATOM 0 HG22 VAL A 68 1.671 8.152 3.833 1.00 73.04 H new ATOM 0 HG23 VAL A 68 1.399 6.421 3.522 1.00 73.04 H new ATOM 947 N LEU A 69 4.076 8.130 2.174 1.00 22.30 N ATOM 948 CA LEU A 69 4.240 9.339 1.384 1.00 70.23 C ATOM 949 C LEU A 69 2.934 10.110 1.306 1.00 2.33 C ATOM 950 O LEU A 69 2.868 11.273 1.709 1.00 15.04 O ATOM 951 CB LEU A 69 4.736 9.005 -0.022 1.00 11.04 C ATOM 952 CG LEU A 69 6.120 8.359 -0.085 1.00 11.55 C ATOM 953 CD1 LEU A 69 6.470 8.014 -1.522 1.00 52.24 C ATOM 954 CD2 LEU A 69 7.170 9.287 0.513 1.00 30.24 C ATOM 0 H LEU A 69 3.830 7.301 1.633 1.00 22.30 H new ATOM 0 HA LEU A 69 4.986 9.963 1.876 1.00 70.23 H new ATOM 0 HB2 LEU A 69 4.018 8.335 -0.494 1.00 11.04 H new ATOM 0 HB3 LEU A 69 4.753 9.921 -0.612 1.00 11.04 H new ATOM 0 HG LEU A 69 6.104 7.440 0.501 1.00 11.55 H new ATOM 0 HD11 LEU A 69 7.458 7.554 -1.556 1.00 52.24 H new ATOM 0 HD12 LEU A 69 5.732 7.317 -1.919 1.00 52.24 H new ATOM 0 HD13 LEU A 69 6.472 8.923 -2.124 1.00 52.24 H new ATOM 0 HD21 LEU A 69 8.149 8.811 0.460 1.00 30.24 H new ATOM 0 HD22 LEU A 69 7.190 10.222 -0.047 1.00 30.24 H new ATOM 0 HD23 LEU A 69 6.923 9.493 1.554 1.00 30.24 H new ATOM 966 N ASP A 70 1.894 9.454 0.803 1.00 51.43 N ATOM 967 CA ASP A 70 0.597 10.096 0.635 1.00 14.42 C ATOM 968 C ASP A 70 -0.447 9.053 0.256 1.00 72.44 C ATOM 969 O ASP A 70 -0.118 7.878 0.068 1.00 22.31 O ATOM 970 CB ASP A 70 0.667 11.188 -0.441 1.00 41.23 C ATOM 971 CG ASP A 70 -0.387 12.265 -0.256 1.00 54.44 C ATOM 972 OD1 ASP A 70 -1.534 12.070 -0.698 1.00 1.41 O ATOM 973 OD2 ASP A 70 -0.067 13.323 0.327 1.00 53.13 O ATOM 0 H ASP A 70 1.924 8.479 0.505 1.00 51.43 H new ATOM 0 HA ASP A 70 0.314 10.563 1.578 1.00 14.42 H new ATOM 0 HB2 ASP A 70 1.656 11.647 -0.423 1.00 41.23 H new ATOM 0 HB3 ASP A 70 0.545 10.732 -1.423 1.00 41.23 H new ATOM 978 N THR A 71 -1.693 9.486 0.136 1.00 41.42 N ATOM 979 CA THR A 71 -2.800 8.594 -0.158 1.00 14.14 C ATOM 980 C THR A 71 -3.771 9.246 -1.138 1.00 62.51 C ATOM 981 O THR A 71 -4.468 10.201 -0.791 1.00 31.51 O ATOM 982 CB THR A 71 -3.565 8.210 1.127 1.00 50.23 C ATOM 983 OG1 THR A 71 -3.823 9.383 1.917 1.00 41.14 O ATOM 984 CG2 THR A 71 -2.786 7.202 1.956 1.00 64.10 C ATOM 0 H THR A 71 -1.963 10.464 0.240 1.00 41.42 H new ATOM 0 HA THR A 71 -2.380 7.692 -0.604 1.00 14.14 H new ATOM 0 HB THR A 71 -4.508 7.753 0.828 1.00 50.23 H new ATOM 0 HG1 THR A 71 -4.133 10.108 1.335 1.00 41.14 H new ATOM 0 HG21 THR A 71 -3.353 6.953 2.853 1.00 64.10 H new ATOM 0 HG22 THR A 71 -2.621 6.298 1.369 1.00 64.10 H new ATOM 0 HG23 THR A 71 -1.825 7.630 2.241 1.00 64.10 H new ATOM 992 N GLU A 72 -3.798 8.745 -2.362 1.00 62.11 N ATOM 993 CA GLU A 72 -4.721 9.248 -3.370 1.00 61.12 C ATOM 994 C GLU A 72 -5.688 8.155 -3.823 1.00 45.53 C ATOM 995 O GLU A 72 -5.281 7.035 -4.141 1.00 44.43 O ATOM 996 CB GLU A 72 -3.966 9.827 -4.578 1.00 25.40 C ATOM 997 CG GLU A 72 -2.833 8.952 -5.097 1.00 14.01 C ATOM 998 CD GLU A 72 -1.513 9.221 -4.401 1.00 23.30 C ATOM 999 OE1 GLU A 72 -0.790 10.145 -4.834 1.00 41.32 O ATOM 1000 OE2 GLU A 72 -1.183 8.504 -3.434 1.00 43.32 O ATOM 0 H GLU A 72 -3.192 7.990 -2.683 1.00 62.11 H new ATOM 0 HA GLU A 72 -5.299 10.051 -2.912 1.00 61.12 H new ATOM 0 HB2 GLU A 72 -4.677 9.996 -5.387 1.00 25.40 H new ATOM 0 HB3 GLU A 72 -3.559 10.800 -4.303 1.00 25.40 H new ATOM 0 HG2 GLU A 72 -3.101 7.904 -4.965 1.00 14.01 H new ATOM 0 HG3 GLU A 72 -2.714 9.118 -6.168 1.00 14.01 H new ATOM 1007 N PRO A 73 -6.996 8.458 -3.820 1.00 31.12 N ATOM 1008 CA PRO A 73 -8.016 7.527 -4.297 1.00 4.13 C ATOM 1009 C PRO A 73 -8.019 7.415 -5.818 1.00 52.34 C ATOM 1010 O PRO A 73 -8.474 8.321 -6.520 1.00 75.04 O ATOM 1011 CB PRO A 73 -9.324 8.140 -3.791 1.00 35.14 C ATOM 1012 CG PRO A 73 -9.043 9.598 -3.667 1.00 31.54 C ATOM 1013 CD PRO A 73 -7.578 9.724 -3.336 1.00 61.24 C ATOM 0 HA PRO A 73 -7.849 6.511 -3.939 1.00 4.13 H new ATOM 0 HB2 PRO A 73 -10.142 7.953 -4.486 1.00 35.14 H new ATOM 0 HB3 PRO A 73 -9.616 7.711 -2.832 1.00 35.14 H new ATOM 0 HG2 PRO A 73 -9.277 10.119 -4.595 1.00 31.54 H new ATOM 0 HG3 PRO A 73 -9.657 10.047 -2.886 1.00 31.54 H new ATOM 0 HD2 PRO A 73 -7.129 10.585 -3.831 1.00 61.24 H new ATOM 0 HD3 PRO A 73 -7.420 9.853 -2.265 1.00 61.24 H new ATOM 1021 N ALA A 74 -7.496 6.310 -6.322 1.00 74.12 N ATOM 1022 CA ALA A 74 -7.416 6.094 -7.752 1.00 62.42 C ATOM 1023 C ALA A 74 -8.222 4.871 -8.165 1.00 33.33 C ATOM 1024 O ALA A 74 -7.735 3.741 -8.112 1.00 64.20 O ATOM 1025 CB ALA A 74 -5.968 5.955 -8.191 1.00 33.30 C ATOM 0 H ALA A 74 -7.120 5.548 -5.758 1.00 74.12 H new ATOM 0 HA ALA A 74 -7.845 6.964 -8.250 1.00 62.42 H new ATOM 0 HB1 ALA A 74 -5.928 5.793 -9.268 1.00 33.30 H new ATOM 0 HB2 ALA A 74 -5.423 6.865 -7.940 1.00 33.30 H new ATOM 0 HB3 ALA A 74 -5.513 5.107 -7.680 1.00 33.30 H new ATOM 1031 N ASP A 75 -9.467 5.106 -8.541 1.00 65.21 N ATOM 1032 CA ASP A 75 -10.329 4.048 -9.044 1.00 75.22 C ATOM 1033 C ASP A 75 -10.139 3.918 -10.545 1.00 11.33 C ATOM 1034 O ASP A 75 -10.112 4.921 -11.259 1.00 62.31 O ATOM 1035 CB ASP A 75 -11.794 4.348 -8.714 1.00 32.40 C ATOM 1036 CG ASP A 75 -12.754 3.311 -9.270 1.00 0.04 C ATOM 1037 OD1 ASP A 75 -12.545 2.102 -9.036 1.00 13.54 O ATOM 1038 OD2 ASP A 75 -13.744 3.705 -9.922 1.00 41.14 O ATOM 0 H ASP A 75 -9.907 6.026 -8.507 1.00 65.21 H new ATOM 0 HA ASP A 75 -10.061 3.107 -8.564 1.00 75.22 H new ATOM 0 HB2 ASP A 75 -11.913 4.401 -7.632 1.00 32.40 H new ATOM 0 HB3 ASP A 75 -12.057 5.328 -9.112 1.00 32.40 H new ATOM 1043 N GLY A 76 -9.980 2.686 -11.008 1.00 0.32 N ATOM 1044 CA GLY A 76 -9.707 2.434 -12.410 1.00 4.51 C ATOM 1045 C GLY A 76 -10.759 3.012 -13.338 1.00 2.53 C ATOM 1046 O GLY A 76 -11.881 2.513 -13.406 1.00 11.10 O ATOM 0 H GLY A 76 -10.036 1.847 -10.430 1.00 0.32 H new ATOM 0 HA2 GLY A 76 -8.735 2.856 -12.666 1.00 4.51 H new ATOM 0 HA3 GLY A 76 -9.640 1.358 -12.573 1.00 4.51 H new ATOM 1050 N ASP A 77 -10.394 4.069 -14.047 1.00 44.55 N ATOM 1051 CA ASP A 77 -11.283 4.681 -15.025 1.00 60.32 C ATOM 1052 C ASP A 77 -11.065 4.041 -16.385 1.00 32.40 C ATOM 1053 O ASP A 77 -12.015 3.762 -17.117 1.00 34.42 O ATOM 1054 CB ASP A 77 -11.028 6.191 -15.102 1.00 53.05 C ATOM 1055 CG ASP A 77 -11.823 6.867 -16.203 1.00 63.14 C ATOM 1056 OD1 ASP A 77 -13.052 7.018 -16.047 1.00 44.41 O ATOM 1057 OD2 ASP A 77 -11.218 7.248 -17.233 1.00 24.53 O ATOM 0 H ASP A 77 -9.485 4.523 -13.963 1.00 44.55 H new ATOM 0 HA ASP A 77 -12.316 4.520 -14.717 1.00 60.32 H new ATOM 0 HB2 ASP A 77 -11.282 6.647 -14.145 1.00 53.05 H new ATOM 0 HB3 ASP A 77 -9.965 6.367 -15.267 1.00 53.05 H new ATOM 1062 N GLY A 78 -9.806 3.780 -16.699 1.00 54.43 N ATOM 1063 CA GLY A 78 -9.470 3.179 -17.968 1.00 14.42 C ATOM 1064 C GLY A 78 -8.132 3.662 -18.478 1.00 31.11 C ATOM 1065 O GLY A 78 -7.092 3.091 -18.148 1.00 72.23 O ATOM 0 H GLY A 78 -9.009 3.975 -16.093 1.00 54.43 H new ATOM 0 HA2 GLY A 78 -9.449 2.094 -17.863 1.00 14.42 H new ATOM 0 HA3 GLY A 78 -10.244 3.414 -18.698 1.00 14.42 H new ATOM 1069 N GLY A 79 -8.161 4.715 -19.278 1.00 24.02 N ATOM 1070 CA GLY A 79 -6.939 5.293 -19.797 1.00 13.34 C ATOM 1071 C GLY A 79 -7.217 6.390 -20.800 1.00 62.44 C ATOM 1072 O GLY A 79 -8.304 6.974 -20.800 1.00 71.45 O ATOM 0 H GLY A 79 -9.015 5.183 -19.580 1.00 24.02 H new ATOM 0 HA2 GLY A 79 -6.349 5.695 -18.973 1.00 13.34 H new ATOM 0 HA3 GLY A 79 -6.340 4.514 -20.268 1.00 13.34 H new ATOM 1076 N LEU A 80 -6.241 6.672 -21.654 1.00 22.02 N ATOM 1077 CA LEU A 80 -6.414 7.649 -22.720 1.00 42.31 C ATOM 1078 C LEU A 80 -7.173 7.020 -23.883 1.00 24.32 C ATOM 1079 O LEU A 80 -7.151 5.799 -24.057 1.00 25.25 O ATOM 1080 CB LEU A 80 -5.057 8.191 -23.209 1.00 23.40 C ATOM 1081 CG LEU A 80 -4.154 7.187 -23.941 1.00 4.50 C ATOM 1082 CD1 LEU A 80 -3.061 7.921 -24.699 1.00 0.12 C ATOM 1083 CD2 LEU A 80 -3.533 6.190 -22.971 1.00 24.54 C ATOM 0 H LEU A 80 -5.319 6.236 -21.628 1.00 22.02 H new ATOM 0 HA LEU A 80 -6.988 8.486 -22.322 1.00 42.31 H new ATOM 0 HB2 LEU A 80 -5.244 9.034 -23.875 1.00 23.40 H new ATOM 0 HB3 LEU A 80 -4.512 8.579 -22.348 1.00 23.40 H new ATOM 0 HG LEU A 80 -4.773 6.633 -24.647 1.00 4.50 H new ATOM 0 HD11 LEU A 80 -2.427 7.199 -25.214 1.00 0.12 H new ATOM 0 HD12 LEU A 80 -3.513 8.593 -25.429 1.00 0.12 H new ATOM 0 HD13 LEU A 80 -2.458 8.499 -23.999 1.00 0.12 H new ATOM 0 HD21 LEU A 80 -2.900 5.494 -23.521 1.00 24.54 H new ATOM 0 HD22 LEU A 80 -2.932 6.724 -22.236 1.00 24.54 H new ATOM 0 HD23 LEU A 80 -4.323 5.638 -22.462 1.00 24.54 H new ATOM 1095 N GLU A 81 -7.833 7.848 -24.679 1.00 50.00 N ATOM 1096 CA GLU A 81 -8.640 7.358 -25.785 1.00 72.12 C ATOM 1097 C GLU A 81 -8.703 8.424 -26.878 1.00 44.42 C ATOM 1098 O GLU A 81 -9.653 9.235 -26.866 1.00 60.51 O ATOM 1099 CB GLU A 81 -10.048 7.001 -25.276 1.00 44.53 C ATOM 1100 CG GLU A 81 -10.760 5.910 -26.069 1.00 31.54 C ATOM 1101 CD GLU A 81 -11.223 6.361 -27.436 1.00 30.43 C ATOM 1102 OE1 GLU A 81 -12.256 7.060 -27.519 1.00 45.24 O ATOM 1103 OE2 GLU A 81 -10.569 6.011 -28.436 1.00 12.14 O ATOM 1104 OXT GLU A 81 -7.781 8.468 -27.723 1.00 0.00 O ATOM 0 H GLU A 81 -7.825 8.863 -24.579 1.00 50.00 H new ATOM 0 HA GLU A 81 -8.191 6.459 -26.206 1.00 72.12 H new ATOM 0 HB2 GLU A 81 -9.973 6.684 -24.236 1.00 44.53 H new ATOM 0 HB3 GLU A 81 -10.663 7.901 -25.291 1.00 44.53 H new ATOM 0 HG2 GLU A 81 -10.089 5.059 -26.184 1.00 31.54 H new ATOM 0 HG3 GLU A 81 -11.621 5.562 -25.499 1.00 31.54 H new TER 1111 GLU A 81