USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 Set 1.1: A 20 SER OG : rot 43:sc= 0.026 USER MOD Set 1.2: A 22 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -150:sc= -0.249 (180deg=-1.71) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.265 (180deg=-0.265) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 14 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -96:sc= -1.78 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.149 USER MOD Single : A 34 THR OG1 : rot -48:sc= 0.882 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 42 MET CE :methyl -147:sc= -0.0253 (180deg=-0.163) USER MOD Single : A 43 MET CE :methyl 156:sc= -2.42 (180deg=-3.1) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0713 USER MOD Single : A 57 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.097) USER MOD Single : A 61 SER OG : rot 82:sc= 0.0656 USER MOD Single : A 63 CYS SG : rot 158:sc= 0.0471 USER MOD Single : A 64 ASN : amide:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 70 MET CE :methyl 168:sc= -0.034 (180deg=-0.124) USER MOD Single : A 71 LYS NZ :NH3+ 140:sc= -1.19 (180deg=-4.26!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.992 0.139 0.049 1.00 0.00 N ATOM 2 CA ALA A 1 2.297 -0.345 -0.383 1.00 0.00 C ATOM 3 C ALA A 1 2.217 -1.793 -0.853 1.00 0.00 C ATOM 4 O ALA A 1 1.965 -2.701 -0.060 1.00 0.00 O ATOM 5 CB ALA A 1 3.309 -0.210 0.745 1.00 0.00 C ATOM 0 H1 ALA A 1 1.075 1.127 0.364 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.321 0.083 -0.744 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.647 -0.447 0.836 1.00 0.00 H new ATOM 0 HA ALA A 1 2.623 0.266 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.279 -0.575 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.395 0.838 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.978 -0.796 1.603 1.00 0.00 H new ATOM 11 N ASP A 2 2.432 -2.003 -2.147 1.00 0.00 N ATOM 12 CA ASP A 2 2.385 -3.342 -2.723 1.00 0.00 C ATOM 13 C ASP A 2 3.233 -3.419 -3.989 1.00 0.00 C ATOM 14 O ASP A 2 3.838 -2.430 -4.404 1.00 0.00 O ATOM 15 CB ASP A 2 0.940 -3.734 -3.037 1.00 0.00 C ATOM 16 CG ASP A 2 0.246 -4.382 -1.855 1.00 0.00 C ATOM 17 OD1 ASP A 2 -0.354 -3.646 -1.044 1.00 0.00 O ATOM 18 OD2 ASP A 2 0.304 -5.624 -1.741 1.00 0.00 O ATOM 0 H ASP A 2 2.641 -1.263 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 2 2.792 -4.040 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.384 -2.847 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.929 -4.421 -3.883 1.00 0.00 H new ATOM 23 N ASP A 3 3.272 -4.599 -4.597 1.00 0.00 N ATOM 24 CA ASP A 3 4.046 -4.806 -5.816 1.00 0.00 C ATOM 25 C ASP A 3 3.160 -4.674 -7.051 1.00 0.00 C ATOM 26 O ASP A 3 3.454 -3.896 -7.958 1.00 0.00 O ATOM 27 CB ASP A 3 4.712 -6.182 -5.795 1.00 0.00 C ATOM 28 CG ASP A 3 5.694 -6.333 -4.650 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.364 -5.336 -4.308 1.00 0.00 O ATOM 30 OD2 ASP A 3 5.793 -7.448 -4.096 1.00 0.00 O ATOM 0 H ASP A 3 2.777 -5.427 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 3 4.818 -4.038 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.945 -6.952 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.232 -6.345 -6.739 1.00 0.00 H new ATOM 35 N MET A 4 2.075 -5.441 -7.079 1.00 0.00 N ATOM 36 CA MET A 4 1.146 -5.410 -8.203 1.00 0.00 C ATOM 37 C MET A 4 0.619 -3.997 -8.433 1.00 0.00 C ATOM 38 O MET A 4 0.194 -3.656 -9.536 1.00 0.00 O ATOM 39 CB MET A 4 -0.020 -6.368 -7.955 1.00 0.00 C ATOM 40 CG MET A 4 0.411 -7.726 -7.426 1.00 0.00 C ATOM 41 SD MET A 4 1.730 -8.468 -8.407 1.00 0.00 S ATOM 42 CE MET A 4 1.034 -8.348 -10.053 1.00 0.00 C ATOM 0 H MET A 4 1.817 -6.091 -6.337 1.00 0.00 H new ATOM 0 HA MET A 4 1.684 -5.728 -9.096 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.709 -5.912 -7.244 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.569 -6.508 -8.886 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.747 -7.620 -6.394 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.448 -8.396 -7.414 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.405 -9.170 -10.666 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.053 -8.401 -9.993 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.326 -7.399 -10.503 1.00 0.00 H new ATOM 52 N GLU A 5 0.649 -3.181 -7.384 1.00 0.00 N ATOM 53 CA GLU A 5 0.172 -1.806 -7.473 1.00 0.00 C ATOM 54 C GLU A 5 1.067 -0.978 -8.391 1.00 0.00 C ATOM 55 O GLU A 5 0.582 -0.184 -9.197 1.00 0.00 O ATOM 56 CB GLU A 5 0.121 -1.169 -6.083 1.00 0.00 C ATOM 57 CG GLU A 5 -1.177 -0.430 -5.799 1.00 0.00 C ATOM 58 CD GLU A 5 -1.632 -0.583 -4.361 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.297 -1.595 -4.053 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.324 0.309 -3.543 1.00 0.00 O ATOM 0 H GLU A 5 0.998 -3.448 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.833 -1.824 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.259 -1.946 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.955 -0.474 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.045 0.628 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.956 -0.802 -6.464 1.00 0.00 H new ATOM 67 N ARG A 6 2.376 -1.169 -8.262 1.00 0.00 N ATOM 68 CA ARG A 6 3.339 -0.440 -9.077 1.00 0.00 C ATOM 69 C ARG A 6 3.098 -0.696 -10.562 1.00 0.00 C ATOM 70 O ARG A 6 2.877 0.237 -11.335 1.00 0.00 O ATOM 71 CB ARG A 6 4.766 -0.846 -8.704 1.00 0.00 C ATOM 72 CG ARG A 6 5.302 -0.127 -7.476 1.00 0.00 C ATOM 73 CD ARG A 6 5.725 1.296 -7.804 1.00 0.00 C ATOM 74 NE ARG A 6 6.464 1.914 -6.707 1.00 0.00 N ATOM 75 CZ ARG A 6 6.741 3.212 -6.646 1.00 0.00 C ATOM 76 NH1 ARG A 6 6.342 4.024 -7.614 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.418 3.699 -5.614 1.00 0.00 N ATOM 0 H ARG A 6 2.794 -1.823 -7.600 1.00 0.00 H new ATOM 0 HA ARG A 6 3.209 0.625 -8.883 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.794 -1.921 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.425 -0.645 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.537 -0.111 -6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.153 -0.677 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.344 1.292 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.842 1.894 -8.028 1.00 0.00 H new ATOM 0 HE ARG A 6 6.785 1.316 -5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.821 3.653 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.556 5.020 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.726 3.077 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.630 4.696 -5.568 1.00 0.00 H new ATOM 91 N ILE A 7 3.143 -1.965 -10.954 1.00 0.00 N ATOM 92 CA ILE A 7 2.929 -2.342 -12.345 1.00 0.00 C ATOM 93 C ILE A 7 1.579 -1.843 -12.849 1.00 0.00 C ATOM 94 O ILE A 7 1.488 -1.240 -13.919 1.00 0.00 O ATOM 95 CB ILE A 7 3.001 -3.869 -12.531 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.258 -4.428 -11.863 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.979 -4.224 -14.011 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.988 -5.100 -10.534 1.00 0.00 C ATOM 0 H ILE A 7 3.326 -2.749 -10.328 1.00 0.00 H new ATOM 0 HA ILE A 7 3.725 -1.875 -12.925 1.00 0.00 H new ATOM 0 HB ILE A 7 2.129 -4.319 -12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.728 -5.146 -12.535 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.971 -3.617 -11.713 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.031 -5.307 -14.126 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.057 -3.855 -14.460 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.834 -3.765 -14.508 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.924 -5.473 -10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.546 -4.380 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.299 -5.932 -10.680 1.00 0.00 H new ATOM 110 N PHE A 8 0.533 -2.096 -12.070 1.00 0.00 N ATOM 111 CA PHE A 8 -0.813 -1.671 -12.437 1.00 0.00 C ATOM 112 C PHE A 8 -0.841 -0.183 -12.774 1.00 0.00 C ATOM 113 O PHE A 8 -1.532 0.243 -13.700 1.00 0.00 O ATOM 114 CB PHE A 8 -1.792 -1.966 -11.298 1.00 0.00 C ATOM 115 CG PHE A 8 -3.185 -1.471 -11.562 1.00 0.00 C ATOM 116 CD1 PHE A 8 -4.068 -2.219 -12.325 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.613 -0.257 -11.048 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.351 -1.767 -12.569 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.895 0.200 -11.288 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.764 -0.555 -12.051 1.00 0.00 C ATOM 0 H PHE A 8 0.591 -2.593 -11.181 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.115 -2.231 -13.322 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.824 -3.042 -11.126 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.420 -1.508 -10.382 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.749 -3.167 -12.734 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.937 0.339 -10.453 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.030 -2.360 -13.164 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.217 1.146 -10.879 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.765 -0.198 -12.242 1.00 0.00 H new ATOM 130 N LYS A 9 -0.085 0.603 -12.016 1.00 0.00 N ATOM 131 CA LYS A 9 -0.021 2.044 -12.233 1.00 0.00 C ATOM 132 C LYS A 9 0.970 2.384 -13.341 1.00 0.00 C ATOM 133 O LYS A 9 0.915 3.466 -13.925 1.00 0.00 O ATOM 134 CB LYS A 9 0.380 2.758 -10.940 1.00 0.00 C ATOM 135 CG LYS A 9 -0.652 2.635 -9.832 1.00 0.00 C ATOM 136 CD LYS A 9 -0.188 3.321 -8.558 1.00 0.00 C ATOM 137 CE LYS A 9 0.403 2.325 -7.572 1.00 0.00 C ATOM 138 NZ LYS A 9 0.286 2.801 -6.166 1.00 0.00 N ATOM 0 H LYS A 9 0.492 0.267 -11.245 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.011 2.384 -12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.328 2.351 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.547 3.814 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.594 3.075 -10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.845 1.582 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.557 4.079 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.029 3.838 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.106 1.367 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.453 2.156 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.700 2.095 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.793 3.703 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.717 2.938 -5.928 1.00 0.00 H new ATOM 152 N ARG A 10 1.874 1.452 -13.627 1.00 0.00 N ATOM 153 CA ARG A 10 2.877 1.653 -14.666 1.00 0.00 C ATOM 154 C ARG A 10 2.219 2.024 -15.992 1.00 0.00 C ATOM 155 O ARG A 10 2.579 3.020 -16.619 1.00 0.00 O ATOM 156 CB ARG A 10 3.723 0.391 -14.839 1.00 0.00 C ATOM 157 CG ARG A 10 5.073 0.647 -15.489 1.00 0.00 C ATOM 158 CD ARG A 10 5.494 -0.516 -16.374 1.00 0.00 C ATOM 159 NE ARG A 10 6.067 -0.063 -17.638 1.00 0.00 N ATOM 160 CZ ARG A 10 7.321 0.357 -17.768 1.00 0.00 C ATOM 161 NH1 ARG A 10 8.129 0.379 -16.717 1.00 0.00 N ATOM 162 NH2 ARG A 10 7.770 0.754 -18.952 1.00 0.00 N ATOM 0 H ARG A 10 1.932 0.550 -13.154 1.00 0.00 H new ATOM 0 HA ARG A 10 3.523 2.475 -14.358 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.880 -0.067 -13.863 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.169 -0.328 -15.443 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.025 1.559 -16.084 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.825 0.809 -14.717 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.223 -1.129 -15.844 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.630 -1.150 -16.574 1.00 0.00 H new ATOM 0 HE ARG A 10 5.472 -0.069 -18.467 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.789 0.073 -15.805 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.091 0.702 -16.820 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.152 0.737 -19.764 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.733 1.076 -19.050 1.00 0.00 H new ATOM 176 N PHE A 11 1.253 1.214 -16.413 1.00 0.00 N ATOM 177 CA PHE A 11 0.546 1.456 -17.666 1.00 0.00 C ATOM 178 C PHE A 11 -0.533 2.519 -17.485 1.00 0.00 C ATOM 179 O PHE A 11 -1.203 2.908 -18.441 1.00 0.00 O ATOM 180 CB PHE A 11 -0.082 0.158 -18.179 1.00 0.00 C ATOM 181 CG PHE A 11 0.892 -0.980 -18.281 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.237 -0.740 -18.513 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.463 -2.291 -18.145 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.135 -1.786 -18.607 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.357 -3.341 -18.239 1.00 0.00 C ATOM 186 CZ PHE A 11 2.695 -3.088 -18.469 1.00 0.00 C ATOM 0 H PHE A 11 0.942 0.385 -15.906 1.00 0.00 H new ATOM 0 HA PHE A 11 1.268 1.818 -18.398 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.896 -0.130 -17.514 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.521 0.339 -19.160 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.587 0.276 -18.622 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.582 -2.494 -17.963 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.181 -1.586 -18.788 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.010 -4.358 -18.133 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.396 -3.907 -18.541 1.00 0.00 H new ATOM 196 N ASP A 12 -0.695 2.985 -16.251 1.00 0.00 N ATOM 197 CA ASP A 12 -1.691 4.005 -15.943 1.00 0.00 C ATOM 198 C ASP A 12 -1.099 5.403 -16.082 1.00 0.00 C ATOM 199 O ASP A 12 -1.279 6.256 -15.211 1.00 0.00 O ATOM 200 CB ASP A 12 -2.235 3.805 -14.528 1.00 0.00 C ATOM 201 CG ASP A 12 -3.477 4.634 -14.263 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.770 5.540 -15.071 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.157 4.375 -13.248 1.00 0.00 O ATOM 0 H ASP A 12 -0.149 2.673 -15.448 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.510 3.906 -16.656 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.466 2.751 -14.376 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.464 4.070 -13.805 1.00 0.00 H new ATOM 208 N THR A 13 -0.388 5.634 -17.182 1.00 0.00 N ATOM 209 CA THR A 13 0.233 6.928 -17.433 1.00 0.00 C ATOM 210 C THR A 13 -0.634 7.786 -18.348 1.00 0.00 C ATOM 211 O THR A 13 -0.206 8.841 -18.813 1.00 0.00 O ATOM 212 CB THR A 13 1.627 6.768 -18.069 1.00 0.00 C ATOM 213 OG1 THR A 13 2.276 5.605 -17.540 1.00 0.00 O ATOM 214 CG2 THR A 13 2.486 7.996 -17.807 1.00 0.00 C ATOM 0 H THR A 13 -0.228 4.941 -17.913 1.00 0.00 H new ATOM 0 HA THR A 13 0.336 7.421 -16.467 1.00 0.00 H new ATOM 0 HB THR A 13 1.500 6.656 -19.146 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.161 5.509 -17.950 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.465 7.860 -18.266 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.004 8.875 -18.235 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.605 8.134 -16.732 1.00 0.00 H new ATOM 222 N ASN A 14 -1.855 7.325 -18.601 1.00 0.00 N ATOM 223 CA ASN A 14 -2.782 8.052 -19.460 1.00 0.00 C ATOM 224 C ASN A 14 -3.801 8.826 -18.629 1.00 0.00 C ATOM 225 O ASN A 14 -4.424 9.770 -19.113 1.00 0.00 O ATOM 226 CB ASN A 14 -3.504 7.084 -20.400 1.00 0.00 C ATOM 227 CG ASN A 14 -4.560 6.263 -19.685 1.00 0.00 C ATOM 228 OD1 ASN A 14 -5.753 6.552 -19.775 1.00 0.00 O ATOM 229 ND2 ASN A 14 -4.124 5.233 -18.969 1.00 0.00 N ATOM 0 H ASN A 14 -2.225 6.452 -18.224 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.207 8.764 -20.053 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.971 7.647 -21.208 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.775 6.415 -20.857 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.788 4.645 -18.465 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.125 5.030 -18.923 1.00 0.00 H new ATOM 236 N GLY A 15 -3.964 8.419 -17.374 1.00 0.00 N ATOM 237 CA GLY A 15 -4.908 9.086 -16.495 1.00 0.00 C ATOM 238 C GLY A 15 -6.207 8.318 -16.350 1.00 0.00 C ATOM 239 O GLY A 15 -7.243 8.895 -16.020 1.00 0.00 O ATOM 0 H GLY A 15 -3.460 7.640 -16.950 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.455 9.216 -15.512 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.120 10.082 -16.883 1.00 0.00 H new ATOM 243 N ASP A 16 -6.153 7.014 -16.599 1.00 0.00 N ATOM 244 CA ASP A 16 -7.334 6.166 -16.495 1.00 0.00 C ATOM 245 C ASP A 16 -7.152 5.111 -15.408 1.00 0.00 C ATOM 246 O ASP A 16 -6.114 4.456 -15.332 1.00 0.00 O ATOM 247 CB ASP A 16 -7.622 5.489 -17.836 1.00 0.00 C ATOM 248 CG ASP A 16 -8.872 4.633 -17.796 1.00 0.00 C ATOM 249 OD1 ASP A 16 -9.837 5.023 -17.105 1.00 0.00 O ATOM 250 OD2 ASP A 16 -8.886 3.571 -18.454 1.00 0.00 O ATOM 0 H ASP A 16 -5.303 6.521 -16.874 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.181 6.797 -16.226 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.731 6.251 -18.608 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.770 4.870 -18.117 1.00 0.00 H new ATOM 255 N GLY A 17 -8.170 4.954 -14.566 1.00 0.00 N ATOM 256 CA GLY A 17 -8.101 3.979 -13.494 1.00 0.00 C ATOM 257 C GLY A 17 -7.706 2.601 -13.987 1.00 0.00 C ATOM 258 O GLY A 17 -7.085 1.827 -13.259 1.00 0.00 O ATOM 0 H GLY A 17 -9.040 5.485 -14.608 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.381 4.315 -12.748 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.070 3.920 -12.998 1.00 0.00 H new ATOM 262 N LYS A 18 -8.068 2.292 -15.228 1.00 0.00 N ATOM 263 CA LYS A 18 -7.749 0.999 -15.819 1.00 0.00 C ATOM 264 C LYS A 18 -6.518 1.099 -16.716 1.00 0.00 C ATOM 265 O LYS A 18 -6.017 2.193 -16.976 1.00 0.00 O ATOM 266 CB LYS A 18 -8.939 0.475 -16.626 1.00 0.00 C ATOM 267 CG LYS A 18 -10.221 0.369 -15.819 1.00 0.00 C ATOM 268 CD LYS A 18 -11.384 -0.099 -16.678 1.00 0.00 C ATOM 269 CE LYS A 18 -12.637 0.722 -16.416 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.464 0.880 -17.644 1.00 0.00 N ATOM 0 H LYS A 18 -8.583 2.921 -15.844 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.532 0.302 -15.009 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.109 1.134 -17.477 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.690 -0.507 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.075 -0.326 -14.992 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.458 1.339 -15.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.113 -0.025 -17.731 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.588 -1.150 -16.475 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.230 0.241 -15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.355 1.705 -16.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.309 1.445 -17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.907 1.362 -18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.755 -0.057 -17.989 1.00 0.00 H new ATOM 284 N ILE A 19 -6.039 -0.048 -17.185 1.00 0.00 N ATOM 285 CA ILE A 19 -4.869 -0.088 -18.054 1.00 0.00 C ATOM 286 C ILE A 19 -5.106 -1.000 -19.252 1.00 0.00 C ATOM 287 O ILE A 19 -5.665 -2.088 -19.116 1.00 0.00 O ATOM 288 CB ILE A 19 -3.619 -0.570 -17.294 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.881 -1.934 -16.652 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.214 0.449 -16.240 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.706 -2.466 -15.862 1.00 0.00 C ATOM 0 H ILE A 19 -6.443 -0.962 -16.978 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.700 0.931 -18.404 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.798 -0.675 -18.003 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.746 -1.856 -15.993 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.138 -2.650 -17.432 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.329 0.094 -15.712 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.991 1.401 -16.721 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.031 0.583 -15.531 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.963 -3.436 -15.436 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.845 -2.576 -16.521 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.462 -1.770 -15.059 1.00 0.00 H new ATOM 303 N SER A 20 -4.674 -0.550 -20.426 1.00 0.00 N ATOM 304 CA SER A 20 -4.840 -1.325 -21.650 1.00 0.00 C ATOM 305 C SER A 20 -4.181 -2.695 -21.519 1.00 0.00 C ATOM 306 O SER A 20 -2.982 -2.798 -21.255 1.00 0.00 O ATOM 307 CB SER A 20 -4.245 -0.572 -22.841 1.00 0.00 C ATOM 308 OG SER A 20 -4.943 -0.875 -24.036 1.00 0.00 O ATOM 0 H SER A 20 -4.206 0.347 -20.555 1.00 0.00 H new ATOM 0 HA SER A 20 -5.907 -1.469 -21.817 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.286 0.501 -22.654 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.193 -0.836 -22.953 1.00 0.00 H new ATOM 0 HG SER A 20 -5.907 -0.876 -23.860 1.00 0.00 H new ATOM 314 N LEU A 21 -4.972 -3.746 -21.707 1.00 0.00 N ATOM 315 CA LEU A 21 -4.467 -5.111 -21.611 1.00 0.00 C ATOM 316 C LEU A 21 -3.886 -5.572 -22.943 1.00 0.00 C ATOM 317 O LEU A 21 -3.144 -6.552 -23.003 1.00 0.00 O ATOM 318 CB LEU A 21 -5.584 -6.059 -21.172 1.00 0.00 C ATOM 319 CG LEU A 21 -6.970 -5.778 -21.754 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.940 -5.863 -23.272 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.995 -6.747 -21.184 1.00 0.00 C ATOM 0 H LEU A 21 -5.966 -3.679 -21.927 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.672 -5.127 -20.865 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.298 -7.075 -21.442 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.655 -6.026 -20.085 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.261 -4.766 -21.473 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.935 -5.660 -23.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.237 -5.128 -23.664 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.626 -6.862 -23.574 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.975 -6.532 -21.610 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.708 -7.769 -21.433 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.038 -6.636 -20.101 1.00 0.00 H new ATOM 333 N SER A 22 -4.229 -4.858 -24.011 1.00 0.00 N ATOM 334 CA SER A 22 -3.743 -5.195 -25.344 1.00 0.00 C ATOM 335 C SER A 22 -2.337 -4.644 -25.565 1.00 0.00 C ATOM 336 O SER A 22 -1.467 -5.331 -26.099 1.00 0.00 O ATOM 337 CB SER A 22 -4.692 -4.644 -26.410 1.00 0.00 C ATOM 338 OG SER A 22 -5.103 -3.325 -26.095 1.00 0.00 O ATOM 0 H SER A 22 -4.841 -4.043 -23.979 1.00 0.00 H new ATOM 0 HA SER A 22 -3.706 -6.281 -25.427 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.197 -4.652 -27.381 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.566 -5.290 -26.493 1.00 0.00 H new ATOM 0 HG SER A 22 -5.707 -2.995 -26.792 1.00 0.00 H new ATOM 344 N GLU A 23 -2.125 -3.399 -25.150 1.00 0.00 N ATOM 345 CA GLU A 23 -0.825 -2.755 -25.304 1.00 0.00 C ATOM 346 C GLU A 23 0.207 -3.383 -24.372 1.00 0.00 C ATOM 347 O GLU A 23 1.407 -3.354 -24.647 1.00 0.00 O ATOM 348 CB GLU A 23 -0.938 -1.255 -25.021 1.00 0.00 C ATOM 349 CG GLU A 23 -1.943 -0.542 -25.909 1.00 0.00 C ATOM 350 CD GLU A 23 -1.677 0.947 -26.012 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.958 1.483 -25.142 1.00 0.00 O ATOM 352 OE2 GLU A 23 -2.188 1.577 -26.961 1.00 0.00 O ATOM 0 H GLU A 23 -2.835 -2.817 -24.705 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.496 -2.900 -26.333 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.221 -1.111 -23.978 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.041 -0.794 -25.152 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.917 -0.982 -26.906 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.947 -0.702 -25.516 1.00 0.00 H new ATOM 359 N LEU A 24 -0.268 -3.951 -23.269 1.00 0.00 N ATOM 360 CA LEU A 24 0.612 -4.587 -22.295 1.00 0.00 C ATOM 361 C LEU A 24 1.359 -5.760 -22.921 1.00 0.00 C ATOM 362 O LEU A 24 2.588 -5.754 -23.007 1.00 0.00 O ATOM 363 CB LEU A 24 -0.193 -5.066 -21.087 1.00 0.00 C ATOM 364 CG LEU A 24 0.493 -6.096 -20.189 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.212 -7.507 -20.683 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.991 -5.838 -20.130 1.00 0.00 C ATOM 0 H LEU A 24 -1.258 -3.984 -23.027 1.00 0.00 H new ATOM 0 HA LEU A 24 1.343 -3.849 -21.966 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.450 -4.198 -20.480 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.130 -5.493 -21.446 1.00 0.00 H new ATOM 0 HG LEU A 24 0.088 -5.999 -19.182 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.708 -8.226 -20.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.863 -7.689 -20.672 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.589 -7.618 -21.700 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.463 -6.580 -19.486 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.412 -5.907 -21.133 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.173 -4.841 -19.728 1.00 0.00 H new ATOM 378 N THR A 25 0.609 -6.766 -23.360 1.00 0.00 N ATOM 379 CA THR A 25 1.199 -7.946 -23.979 1.00 0.00 C ATOM 380 C THR A 25 2.123 -7.560 -25.129 1.00 0.00 C ATOM 381 O THR A 25 3.154 -8.196 -25.350 1.00 0.00 O ATOM 382 CB THR A 25 0.116 -8.906 -24.506 1.00 0.00 C ATOM 383 OG1 THR A 25 0.706 -9.887 -25.366 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.961 -8.143 -25.263 1.00 0.00 C ATOM 0 H THR A 25 -0.409 -6.787 -23.298 1.00 0.00 H new ATOM 0 HA THR A 25 1.777 -8.452 -23.206 1.00 0.00 H new ATOM 0 HB THR A 25 -0.344 -9.403 -23.652 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.616 -9.601 -26.299 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.715 -8.842 -25.626 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.429 -7.418 -24.597 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.512 -7.622 -26.109 1.00 0.00 H new ATOM 392 N ASP A 26 1.748 -6.514 -25.857 1.00 0.00 N ATOM 393 CA ASP A 26 2.544 -6.042 -26.984 1.00 0.00 C ATOM 394 C ASP A 26 3.727 -5.208 -26.502 1.00 0.00 C ATOM 395 O ASP A 26 4.708 -5.031 -27.222 1.00 0.00 O ATOM 396 CB ASP A 26 1.678 -5.217 -27.938 1.00 0.00 C ATOM 397 CG ASP A 26 2.190 -5.256 -29.364 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.175 -4.547 -29.661 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.606 -5.995 -30.184 1.00 0.00 O ATOM 0 H ASP A 26 0.898 -5.977 -25.687 1.00 0.00 H new ATOM 0 HA ASP A 26 2.928 -6.913 -27.515 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.655 -5.592 -27.912 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.647 -4.183 -27.594 1.00 0.00 H new ATOM 404 N ALA A 27 3.626 -4.699 -25.278 1.00 0.00 N ATOM 405 CA ALA A 27 4.687 -3.885 -24.700 1.00 0.00 C ATOM 406 C ALA A 27 5.727 -4.755 -24.001 1.00 0.00 C ATOM 407 O ALA A 27 6.912 -4.421 -23.971 1.00 0.00 O ATOM 408 CB ALA A 27 4.104 -2.871 -23.727 1.00 0.00 C ATOM 0 H ALA A 27 2.820 -4.836 -24.668 1.00 0.00 H new ATOM 0 HA ALA A 27 5.183 -3.351 -25.510 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.908 -2.270 -23.303 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.405 -2.222 -24.254 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.581 -3.394 -22.926 1.00 0.00 H new ATOM 414 N LEU A 28 5.276 -5.871 -23.438 1.00 0.00 N ATOM 415 CA LEU A 28 6.167 -6.789 -22.738 1.00 0.00 C ATOM 416 C LEU A 28 7.363 -7.158 -23.610 1.00 0.00 C ATOM 417 O LEU A 28 8.424 -7.524 -23.104 1.00 0.00 O ATOM 418 CB LEU A 28 5.410 -8.053 -22.329 1.00 0.00 C ATOM 419 CG LEU A 28 4.834 -8.062 -20.913 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.955 -9.285 -20.702 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.953 -8.023 -19.882 1.00 0.00 C ATOM 0 H LEU A 28 4.298 -6.162 -23.453 1.00 0.00 H new ATOM 0 HA LEU A 28 6.535 -6.288 -21.843 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.592 -8.206 -23.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.083 -8.904 -22.431 1.00 0.00 H new ATOM 0 HG LEU A 28 4.218 -7.171 -20.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.554 -9.274 -19.689 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.133 -9.270 -21.418 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.547 -10.188 -20.848 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.525 -8.030 -18.880 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.595 -8.895 -20.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.542 -7.116 -20.019 1.00 0.00 H new ATOM 433 N ARG A 29 7.185 -7.057 -24.923 1.00 0.00 N ATOM 434 CA ARG A 29 8.249 -7.379 -25.866 1.00 0.00 C ATOM 435 C ARG A 29 9.466 -6.488 -25.637 1.00 0.00 C ATOM 436 O ARG A 29 10.607 -6.914 -25.826 1.00 0.00 O ATOM 437 CB ARG A 29 7.752 -7.222 -27.304 1.00 0.00 C ATOM 438 CG ARG A 29 7.572 -5.774 -27.731 1.00 0.00 C ATOM 439 CD ARG A 29 6.891 -5.674 -29.087 1.00 0.00 C ATOM 440 NE ARG A 29 7.836 -5.345 -30.151 1.00 0.00 N ATOM 441 CZ ARG A 29 7.472 -5.081 -31.401 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.191 -5.107 -31.742 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.391 -4.790 -32.313 1.00 0.00 N ATOM 0 H ARG A 29 6.313 -6.755 -25.358 1.00 0.00 H new ATOM 0 HA ARG A 29 8.543 -8.416 -25.702 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.458 -7.706 -27.979 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.801 -7.744 -27.410 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.979 -5.244 -26.985 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.544 -5.282 -27.774 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.401 -6.620 -29.317 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.112 -4.913 -29.046 1.00 0.00 H new ATOM 0 HE ARG A 29 8.829 -5.316 -29.922 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.482 -5.330 -31.044 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.915 -4.904 -32.703 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.377 -4.769 -32.054 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.111 -4.587 -33.273 1.00 0.00 H new ATOM 457 N THR A 30 9.217 -5.247 -25.230 1.00 0.00 N ATOM 458 CA THR A 30 10.291 -4.295 -24.977 1.00 0.00 C ATOM 459 C THR A 30 10.938 -4.544 -23.620 1.00 0.00 C ATOM 460 O THR A 30 12.104 -4.210 -23.406 1.00 0.00 O ATOM 461 CB THR A 30 9.779 -2.843 -25.030 1.00 0.00 C ATOM 462 OG1 THR A 30 10.846 -1.960 -25.392 1.00 0.00 O ATOM 463 CG2 THR A 30 9.200 -2.424 -23.688 1.00 0.00 C ATOM 0 H THR A 30 8.280 -4.878 -25.069 1.00 0.00 H new ATOM 0 HA THR A 30 11.033 -4.440 -25.762 1.00 0.00 H new ATOM 0 HB THR A 30 8.991 -2.786 -25.781 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.512 -1.039 -25.425 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.845 -1.395 -23.750 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.369 -3.080 -23.430 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.971 -2.496 -22.921 1.00 0.00 H new ATOM 471 N LEU A 31 10.175 -5.132 -22.705 1.00 0.00 N ATOM 472 CA LEU A 31 10.675 -5.427 -21.366 1.00 0.00 C ATOM 473 C LEU A 31 11.605 -6.636 -21.386 1.00 0.00 C ATOM 474 O LEU A 31 12.205 -6.987 -20.372 1.00 0.00 O ATOM 475 CB LEU A 31 9.509 -5.681 -20.409 1.00 0.00 C ATOM 476 CG LEU A 31 9.065 -4.490 -19.560 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.206 -4.009 -18.677 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.562 -3.360 -20.448 1.00 0.00 C ATOM 0 H LEU A 31 9.208 -5.414 -22.865 1.00 0.00 H new ATOM 0 HA LEU A 31 11.241 -4.563 -21.018 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.655 -6.024 -20.992 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.786 -6.496 -19.740 1.00 0.00 H new ATOM 0 HG LEU A 31 8.246 -4.812 -18.917 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.871 -3.161 -18.080 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.520 -4.817 -18.016 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.046 -3.704 -19.301 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.250 -2.520 -19.827 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.361 -3.040 -21.117 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.714 -3.710 -21.037 1.00 0.00 H new ATOM 490 N GLY A 32 11.720 -7.268 -22.550 1.00 0.00 N ATOM 491 CA GLY A 32 12.580 -8.430 -22.681 1.00 0.00 C ATOM 492 C GLY A 32 11.845 -9.729 -22.414 1.00 0.00 C ATOM 493 O GLY A 32 12.464 -10.785 -22.284 1.00 0.00 O ATOM 0 H GLY A 32 11.233 -6.996 -23.404 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.002 -8.455 -23.686 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.416 -8.340 -21.987 1.00 0.00 H new ATOM 497 N SER A 33 10.521 -9.651 -22.329 1.00 0.00 N ATOM 498 CA SER A 33 9.701 -10.828 -22.069 1.00 0.00 C ATOM 499 C SER A 33 9.590 -11.699 -23.317 1.00 0.00 C ATOM 500 O SER A 33 9.280 -11.211 -24.404 1.00 0.00 O ATOM 501 CB SER A 33 8.306 -10.411 -21.599 1.00 0.00 C ATOM 502 OG SER A 33 8.071 -10.830 -20.265 1.00 0.00 O ATOM 0 H SER A 33 9.993 -8.785 -22.436 1.00 0.00 H new ATOM 0 HA SER A 33 10.183 -11.409 -21.283 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.205 -9.328 -21.667 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.553 -10.843 -22.257 1.00 0.00 H new ATOM 0 HG SER A 33 7.114 -11.000 -20.139 1.00 0.00 H new ATOM 508 N THR A 34 9.844 -12.993 -23.152 1.00 0.00 N ATOM 509 CA THR A 34 9.775 -13.933 -24.264 1.00 0.00 C ATOM 510 C THR A 34 8.471 -14.722 -24.236 1.00 0.00 C ATOM 511 O THR A 34 8.386 -15.819 -24.788 1.00 0.00 O ATOM 512 CB THR A 34 10.959 -14.919 -24.241 1.00 0.00 C ATOM 513 OG1 THR A 34 10.961 -15.710 -25.435 1.00 0.00 O ATOM 514 CG2 THR A 34 10.882 -15.828 -23.024 1.00 0.00 C ATOM 0 H THR A 34 10.099 -13.414 -22.259 1.00 0.00 H new ATOM 0 HA THR A 34 9.821 -13.343 -25.180 1.00 0.00 H new ATOM 0 HB THR A 34 11.883 -14.343 -24.186 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.061 -16.064 -25.594 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.728 -16.515 -23.029 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.910 -15.225 -22.117 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.952 -16.397 -23.053 1.00 0.00 H new ATOM 522 N SER A 35 7.456 -14.157 -23.590 1.00 0.00 N ATOM 523 CA SER A 35 6.156 -14.810 -23.488 1.00 0.00 C ATOM 524 C SER A 35 5.034 -13.848 -23.866 1.00 0.00 C ATOM 525 O SER A 35 3.875 -14.059 -23.511 1.00 0.00 O ATOM 526 CB SER A 35 5.936 -15.335 -22.068 1.00 0.00 C ATOM 527 OG SER A 35 6.566 -16.591 -21.885 1.00 0.00 O ATOM 0 H SER A 35 7.509 -13.248 -23.129 1.00 0.00 H new ATOM 0 HA SER A 35 6.142 -15.649 -24.184 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.330 -14.619 -21.347 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.868 -15.429 -21.873 1.00 0.00 H new ATOM 0 HG SER A 35 6.412 -16.904 -20.969 1.00 0.00 H new ATOM 533 N ALA A 36 5.388 -12.791 -24.590 1.00 0.00 N ATOM 534 CA ALA A 36 4.412 -11.797 -25.019 1.00 0.00 C ATOM 535 C ALA A 36 3.245 -12.454 -25.749 1.00 0.00 C ATOM 536 O ALA A 36 2.136 -11.920 -25.772 1.00 0.00 O ATOM 537 CB ALA A 36 5.075 -10.757 -25.910 1.00 0.00 C ATOM 0 H ALA A 36 6.344 -12.601 -24.892 1.00 0.00 H new ATOM 0 HA ALA A 36 4.019 -11.302 -24.131 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.335 -10.021 -26.223 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.871 -10.258 -25.357 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.495 -11.246 -26.789 1.00 0.00 H new ATOM 543 N ASP A 37 3.502 -13.614 -26.343 1.00 0.00 N ATOM 544 CA ASP A 37 2.471 -14.344 -27.073 1.00 0.00 C ATOM 545 C ASP A 37 1.619 -15.177 -26.121 1.00 0.00 C ATOM 546 O ASP A 37 0.438 -15.412 -26.376 1.00 0.00 O ATOM 547 CB ASP A 37 3.108 -15.247 -28.130 1.00 0.00 C ATOM 548 CG ASP A 37 4.328 -14.615 -28.772 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.213 -13.478 -29.275 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.399 -15.258 -28.770 1.00 0.00 O ATOM 0 H ASP A 37 4.415 -14.069 -26.334 1.00 0.00 H new ATOM 0 HA ASP A 37 1.826 -13.617 -27.568 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.392 -16.194 -27.671 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.372 -15.474 -28.901 1.00 0.00 H new ATOM 555 N GLU A 38 2.226 -15.622 -25.025 1.00 0.00 N ATOM 556 CA GLU A 38 1.521 -16.431 -24.038 1.00 0.00 C ATOM 557 C GLU A 38 0.747 -15.548 -23.063 1.00 0.00 C ATOM 558 O GLU A 38 -0.272 -15.960 -22.510 1.00 0.00 O ATOM 559 CB GLU A 38 2.509 -17.312 -23.270 1.00 0.00 C ATOM 560 CG GLU A 38 1.883 -18.048 -22.097 1.00 0.00 C ATOM 561 CD GLU A 38 2.817 -19.077 -21.489 1.00 0.00 C ATOM 562 OE1 GLU A 38 4.048 -18.905 -21.608 1.00 0.00 O ATOM 563 OE2 GLU A 38 2.316 -20.054 -20.894 1.00 0.00 O ATOM 0 H GLU A 38 3.203 -15.436 -24.799 1.00 0.00 H new ATOM 0 HA GLU A 38 0.811 -17.067 -24.567 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.942 -18.040 -23.956 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.327 -16.692 -22.904 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.595 -17.327 -21.332 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.970 -18.542 -22.428 1.00 0.00 H new ATOM 570 N VAL A 39 1.240 -14.330 -22.857 1.00 0.00 N ATOM 571 CA VAL A 39 0.596 -13.388 -21.950 1.00 0.00 C ATOM 572 C VAL A 39 -0.665 -12.800 -22.574 1.00 0.00 C ATOM 573 O VAL A 39 -1.641 -12.522 -21.878 1.00 0.00 O ATOM 574 CB VAL A 39 1.548 -12.240 -21.564 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.869 -11.381 -22.778 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.943 -11.399 -20.450 1.00 0.00 C ATOM 0 H VAL A 39 2.083 -13.973 -23.306 1.00 0.00 H new ATOM 0 HA VAL A 39 0.328 -13.945 -21.052 1.00 0.00 H new ATOM 0 HB VAL A 39 2.480 -12.671 -21.198 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.543 -10.575 -22.486 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.347 -11.995 -23.542 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.948 -10.957 -23.177 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.629 -10.593 -20.190 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.004 -10.976 -20.786 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.770 -12.025 -19.575 1.00 0.00 H new ATOM 586 N GLN A 40 -0.636 -12.614 -23.890 1.00 0.00 N ATOM 587 CA GLN A 40 -1.778 -12.058 -24.607 1.00 0.00 C ATOM 588 C GLN A 40 -3.028 -12.900 -24.376 1.00 0.00 C ATOM 589 O GLN A 40 -4.124 -12.367 -24.200 1.00 0.00 O ATOM 590 CB GLN A 40 -1.475 -11.975 -26.104 1.00 0.00 C ATOM 591 CG GLN A 40 -2.707 -12.116 -26.983 1.00 0.00 C ATOM 592 CD GLN A 40 -2.377 -12.064 -28.462 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.322 -12.766 -28.859 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -3.064 -11.401 -29.240 1.00 0.00 N flip ATOM 0 H GLN A 40 0.164 -12.840 -24.481 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.962 -11.054 -24.224 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.995 -11.020 -26.317 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.761 -12.756 -26.366 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.203 -13.060 -26.758 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.413 -11.320 -26.744 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.866 -10.876 -28.892 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.831 -11.377 -30.233 1.00 0.00 H new ATOM 603 N ARG A 41 -2.857 -14.218 -24.377 1.00 0.00 N ATOM 604 CA ARG A 41 -3.972 -15.134 -24.169 1.00 0.00 C ATOM 605 C ARG A 41 -4.326 -15.232 -22.688 1.00 0.00 C ATOM 606 O ARG A 41 -5.435 -15.629 -22.330 1.00 0.00 O ATOM 607 CB ARG A 41 -3.630 -16.521 -24.716 1.00 0.00 C ATOM 608 CG ARG A 41 -2.334 -17.091 -24.161 1.00 0.00 C ATOM 609 CD ARG A 41 -2.027 -18.456 -24.756 1.00 0.00 C ATOM 610 NE ARG A 41 -2.216 -18.477 -26.204 1.00 0.00 N ATOM 611 CZ ARG A 41 -3.353 -18.833 -26.792 1.00 0.00 C ATOM 612 NH1 ARG A 41 -4.397 -19.194 -26.059 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.448 -18.826 -28.115 1.00 0.00 N ATOM 0 H ARG A 41 -1.957 -14.675 -24.520 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.836 -14.743 -24.706 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.447 -17.205 -24.485 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.558 -16.466 -25.802 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.513 -16.407 -24.375 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.406 -17.173 -23.077 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.999 -18.731 -24.521 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.671 -19.205 -24.295 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.432 -18.203 -26.796 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.328 -19.199 -25.041 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.269 -19.467 -26.513 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.648 -18.547 -28.682 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.322 -19.100 -28.565 1.00 0.00 H new ATOM 627 N MET A 42 -3.377 -14.868 -21.833 1.00 0.00 N ATOM 628 CA MET A 42 -3.589 -14.914 -20.391 1.00 0.00 C ATOM 629 C MET A 42 -4.383 -13.700 -19.919 1.00 0.00 C ATOM 630 O MET A 42 -5.383 -13.836 -19.215 1.00 0.00 O ATOM 631 CB MET A 42 -2.247 -14.977 -19.658 1.00 0.00 C ATOM 632 CG MET A 42 -1.488 -16.273 -19.891 1.00 0.00 C ATOM 633 SD MET A 42 -1.974 -17.578 -18.745 1.00 0.00 S ATOM 634 CE MET A 42 -3.009 -18.588 -19.802 1.00 0.00 C ATOM 0 H MET A 42 -2.454 -14.538 -22.113 1.00 0.00 H new ATOM 0 HA MET A 42 -4.162 -15.812 -20.162 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.627 -14.140 -19.979 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.420 -14.854 -18.589 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.658 -16.611 -20.913 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.419 -16.086 -19.791 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.808 -19.035 -19.210 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.443 -17.968 -20.587 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.408 -19.377 -20.254 1.00 0.00 H new ATOM 644 N MET A 43 -3.930 -12.514 -20.311 1.00 0.00 N ATOM 645 CA MET A 43 -4.600 -11.276 -19.928 1.00 0.00 C ATOM 646 C MET A 43 -6.070 -11.306 -20.333 1.00 0.00 C ATOM 647 O MET A 43 -6.900 -10.615 -19.743 1.00 0.00 O ATOM 648 CB MET A 43 -3.906 -10.075 -20.573 1.00 0.00 C ATOM 649 CG MET A 43 -3.696 -10.226 -22.071 1.00 0.00 C ATOM 650 SD MET A 43 -5.022 -9.478 -23.037 1.00 0.00 S ATOM 651 CE MET A 43 -4.217 -9.285 -24.625 1.00 0.00 C ATOM 0 H MET A 43 -3.103 -12.384 -20.893 1.00 0.00 H new ATOM 0 HA MET A 43 -4.542 -11.181 -18.844 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.499 -9.180 -20.386 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.939 -9.923 -20.092 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.747 -9.768 -22.349 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.624 -11.285 -22.319 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.970 -9.249 -25.412 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.641 -8.360 -24.631 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.550 -10.129 -24.800 1.00 0.00 H new ATOM 661 N ALA A 44 -6.385 -12.110 -21.344 1.00 0.00 N ATOM 662 CA ALA A 44 -7.756 -12.230 -21.826 1.00 0.00 C ATOM 663 C ALA A 44 -8.637 -12.938 -20.802 1.00 0.00 C ATOM 664 O ALA A 44 -9.861 -12.808 -20.830 1.00 0.00 O ATOM 665 CB ALA A 44 -7.785 -12.973 -23.154 1.00 0.00 C ATOM 0 H ALA A 44 -5.710 -12.688 -21.845 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.152 -11.226 -21.975 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.815 -13.056 -23.502 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.196 -12.426 -23.890 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.366 -13.970 -23.022 1.00 0.00 H new ATOM 671 N GLU A 45 -8.008 -13.686 -19.902 1.00 0.00 N ATOM 672 CA GLU A 45 -8.737 -14.415 -18.871 1.00 0.00 C ATOM 673 C GLU A 45 -9.286 -13.460 -17.815 1.00 0.00 C ATOM 674 O GLU A 45 -10.453 -13.546 -17.433 1.00 0.00 O ATOM 675 CB GLU A 45 -7.829 -15.456 -18.212 1.00 0.00 C ATOM 676 CG GLU A 45 -7.453 -16.605 -19.132 1.00 0.00 C ATOM 677 CD GLU A 45 -6.955 -17.820 -18.373 1.00 0.00 C ATOM 678 OE1 GLU A 45 -7.059 -17.825 -17.129 1.00 0.00 O ATOM 679 OE2 GLU A 45 -6.461 -18.764 -19.023 1.00 0.00 O ATOM 0 H GLU A 45 -6.995 -13.803 -19.866 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.575 -14.924 -19.346 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.919 -14.965 -17.867 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.330 -15.856 -17.330 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.320 -16.885 -19.731 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.681 -16.273 -19.826 1.00 0.00 H new ATOM 686 N ILE A 46 -8.435 -12.553 -17.347 1.00 0.00 N ATOM 687 CA ILE A 46 -8.834 -11.583 -16.335 1.00 0.00 C ATOM 688 C ILE A 46 -9.863 -10.603 -16.889 1.00 0.00 C ATOM 689 O ILE A 46 -10.721 -10.108 -16.158 1.00 0.00 O ATOM 690 CB ILE A 46 -7.624 -10.792 -15.805 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.872 -10.131 -16.962 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.697 -11.707 -15.018 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.801 -9.162 -16.511 1.00 0.00 C ATOM 0 H ILE A 46 -7.465 -12.470 -17.652 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.277 -12.148 -15.514 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.985 -10.010 -15.137 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.414 -10.906 -17.577 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.586 -9.603 -17.594 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.846 -11.134 -14.650 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.238 -12.135 -14.174 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.341 -12.509 -15.665 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.309 -8.731 -17.383 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.255 -8.366 -15.921 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.066 -9.689 -15.903 1.00 0.00 H new ATOM 705 N ASP A 47 -9.773 -10.329 -18.186 1.00 0.00 N ATOM 706 CA ASP A 47 -10.697 -9.409 -18.840 1.00 0.00 C ATOM 707 C ASP A 47 -12.065 -10.058 -19.033 1.00 0.00 C ATOM 708 O ASP A 47 -12.218 -10.985 -19.829 1.00 0.00 O ATOM 709 CB ASP A 47 -10.136 -8.963 -20.191 1.00 0.00 C ATOM 710 CG ASP A 47 -10.850 -7.744 -20.738 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.573 -7.042 -19.874 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.752 -7.435 -21.926 1.00 0.00 O ATOM 0 H ASP A 47 -9.069 -10.731 -18.806 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.816 -8.536 -18.198 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.074 -8.742 -20.085 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.222 -9.782 -20.905 1.00 0.00 H new ATOM 717 N THR A 48 -13.057 -9.564 -18.299 1.00 0.00 N ATOM 718 CA THR A 48 -14.411 -10.095 -18.388 1.00 0.00 C ATOM 719 C THR A 48 -15.258 -9.281 -19.359 1.00 0.00 C ATOM 720 O THR A 48 -16.313 -9.732 -19.807 1.00 0.00 O ATOM 721 CB THR A 48 -15.101 -10.110 -17.011 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.300 -10.891 -17.072 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.433 -8.697 -16.557 1.00 0.00 C ATOM 0 H THR A 48 -12.948 -8.797 -17.636 1.00 0.00 H new ATOM 0 HA THR A 48 -14.325 -11.118 -18.754 1.00 0.00 H new ATOM 0 HB THR A 48 -14.415 -10.555 -16.290 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.634 -10.906 -17.993 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.920 -8.733 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.515 -8.113 -16.483 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.102 -8.230 -17.280 1.00 0.00 H new ATOM 731 N ASP A 49 -14.790 -8.080 -19.682 1.00 0.00 N ATOM 732 CA ASP A 49 -15.504 -7.203 -20.602 1.00 0.00 C ATOM 733 C ASP A 49 -14.859 -7.225 -21.984 1.00 0.00 C ATOM 734 O ASP A 49 -15.297 -6.524 -22.896 1.00 0.00 O ATOM 735 CB ASP A 49 -15.530 -5.773 -20.060 1.00 0.00 C ATOM 736 CG ASP A 49 -14.936 -5.670 -18.670 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.688 -5.845 -17.689 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.718 -5.412 -18.562 1.00 0.00 O ATOM 0 H ASP A 49 -13.919 -7.692 -19.320 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.527 -7.567 -20.693 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.978 -5.121 -20.737 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.559 -5.414 -20.040 1.00 0.00 H new ATOM 743 N GLY A 50 -13.814 -8.033 -22.132 1.00 0.00 N ATOM 744 CA GLY A 50 -13.124 -8.130 -23.405 1.00 0.00 C ATOM 745 C GLY A 50 -12.798 -6.771 -23.992 1.00 0.00 C ATOM 746 O GLY A 50 -12.790 -6.600 -25.212 1.00 0.00 O ATOM 0 H GLY A 50 -13.433 -8.623 -21.392 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.202 -8.696 -23.273 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.742 -8.688 -24.109 1.00 0.00 H new ATOM 750 N ASP A 51 -12.530 -5.802 -23.124 1.00 0.00 N ATOM 751 CA ASP A 51 -12.202 -4.451 -23.564 1.00 0.00 C ATOM 752 C ASP A 51 -10.705 -4.186 -23.435 1.00 0.00 C ATOM 753 O ASP A 51 -9.974 -4.973 -22.836 1.00 0.00 O ATOM 754 CB ASP A 51 -12.987 -3.422 -22.748 1.00 0.00 C ATOM 755 CG ASP A 51 -12.427 -3.242 -21.351 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.175 -4.262 -20.676 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.240 -2.081 -20.932 1.00 0.00 O ATOM 0 H ASP A 51 -12.533 -5.927 -22.112 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.480 -4.359 -24.614 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.974 -2.464 -23.268 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.029 -3.734 -22.681 1.00 0.00 H new ATOM 762 N GLY A 52 -10.256 -3.071 -24.004 1.00 0.00 N ATOM 763 CA GLY A 52 -8.849 -2.722 -23.943 1.00 0.00 C ATOM 764 C GLY A 52 -8.485 -1.999 -22.661 1.00 0.00 C ATOM 765 O GLY A 52 -7.814 -0.968 -22.690 1.00 0.00 O ATOM 0 H GLY A 52 -10.842 -2.404 -24.506 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.249 -3.628 -24.028 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.597 -2.092 -24.796 1.00 0.00 H new ATOM 769 N PHE A 53 -8.931 -2.540 -21.532 1.00 0.00 N ATOM 770 CA PHE A 53 -8.651 -1.939 -20.234 1.00 0.00 C ATOM 771 C PHE A 53 -8.964 -2.915 -19.103 1.00 0.00 C ATOM 772 O PHE A 53 -9.884 -3.727 -19.207 1.00 0.00 O ATOM 773 CB PHE A 53 -9.467 -0.656 -20.056 1.00 0.00 C ATOM 774 CG PHE A 53 -8.801 0.562 -20.628 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.624 1.046 -20.080 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.351 1.223 -21.714 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.009 2.167 -20.604 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.740 2.345 -22.243 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.567 2.817 -21.687 1.00 0.00 C ATOM 0 H PHE A 53 -9.488 -3.394 -21.490 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.589 -1.695 -20.196 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.440 -0.785 -20.530 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.649 -0.495 -18.993 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.182 0.541 -19.234 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.268 0.858 -22.153 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.092 2.535 -20.167 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.179 2.852 -23.090 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.087 3.693 -22.098 1.00 0.00 H new ATOM 789 N ILE A 54 -8.192 -2.829 -18.025 1.00 0.00 N ATOM 790 CA ILE A 54 -8.386 -3.704 -16.876 1.00 0.00 C ATOM 791 C ILE A 54 -8.242 -2.933 -15.568 1.00 0.00 C ATOM 792 O ILE A 54 -7.384 -2.060 -15.441 1.00 0.00 O ATOM 793 CB ILE A 54 -7.384 -4.874 -16.882 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.951 -4.345 -16.969 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.678 -5.816 -18.040 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.901 -5.399 -16.692 1.00 0.00 C ATOM 0 H ILE A 54 -7.427 -2.162 -17.923 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.398 -4.103 -16.951 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.490 -5.430 -15.951 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.785 -3.930 -17.963 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.830 -3.527 -16.258 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.962 -6.638 -18.031 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.688 -6.214 -17.938 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.595 -5.272 -18.981 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.909 -4.954 -16.771 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.041 -5.797 -15.687 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.995 -6.206 -17.418 1.00 0.00 H new ATOM 808 N ASP A 55 -9.087 -3.263 -14.597 1.00 0.00 N ATOM 809 CA ASP A 55 -9.052 -2.604 -13.297 1.00 0.00 C ATOM 810 C ASP A 55 -8.196 -3.392 -12.310 1.00 0.00 C ATOM 811 O ASP A 55 -7.732 -4.491 -12.615 1.00 0.00 O ATOM 812 CB ASP A 55 -10.469 -2.442 -12.745 1.00 0.00 C ATOM 813 CG ASP A 55 -11.505 -2.300 -13.843 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.828 -3.318 -14.489 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.992 -1.170 -14.057 1.00 0.00 O ATOM 0 H ASP A 55 -9.804 -3.983 -14.686 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.607 -1.618 -13.430 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.716 -3.305 -12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.506 -1.565 -12.099 1.00 0.00 H new ATOM 820 N PHE A 56 -7.989 -2.823 -11.127 1.00 0.00 N ATOM 821 CA PHE A 56 -7.187 -3.472 -10.097 1.00 0.00 C ATOM 822 C PHE A 56 -7.618 -4.923 -9.905 1.00 0.00 C ATOM 823 O PHE A 56 -6.783 -5.816 -9.763 1.00 0.00 O ATOM 824 CB PHE A 56 -7.308 -2.713 -8.774 1.00 0.00 C ATOM 825 CG PHE A 56 -6.111 -2.872 -7.880 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.834 -2.633 -8.361 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.263 -3.260 -6.559 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.731 -2.777 -7.542 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.164 -3.406 -5.734 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.896 -3.165 -6.227 1.00 0.00 C ATOM 0 H PHE A 56 -8.366 -1.914 -10.858 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.146 -3.461 -10.421 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.456 -1.654 -8.984 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.195 -3.060 -8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.699 -2.330 -9.389 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.252 -3.451 -6.169 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.741 -2.586 -7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.296 -3.708 -4.706 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.035 -3.280 -5.585 1.00 0.00 H new ATOM 840 N ASN A 57 -8.927 -5.150 -9.902 1.00 0.00 N ATOM 841 CA ASN A 57 -9.470 -6.492 -9.727 1.00 0.00 C ATOM 842 C ASN A 57 -9.088 -7.391 -10.899 1.00 0.00 C ATOM 843 O ASN A 57 -8.773 -8.566 -10.715 1.00 0.00 O ATOM 844 CB ASN A 57 -10.993 -6.435 -9.589 1.00 0.00 C ATOM 845 CG ASN A 57 -11.474 -6.986 -8.261 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.348 -6.406 -7.616 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.904 -8.111 -7.845 1.00 0.00 N ATOM 0 H ASN A 57 -9.632 -4.422 -10.019 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.045 -6.913 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.326 -5.402 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.450 -7.001 -10.401 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.187 -8.528 -6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.183 -8.558 -8.412 1.00 0.00 H new ATOM 854 N GLU A 58 -9.117 -6.829 -12.103 1.00 0.00 N ATOM 855 CA GLU A 58 -8.773 -7.580 -13.305 1.00 0.00 C ATOM 856 C GLU A 58 -7.282 -7.901 -13.338 1.00 0.00 C ATOM 857 O GLU A 58 -6.888 -9.063 -13.438 1.00 0.00 O ATOM 858 CB GLU A 58 -9.164 -6.790 -14.556 1.00 0.00 C ATOM 859 CG GLU A 58 -10.648 -6.852 -14.876 1.00 0.00 C ATOM 860 CD GLU A 58 -10.977 -6.259 -16.233 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.297 -6.619 -17.217 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.914 -5.437 -16.310 1.00 0.00 O ATOM 0 H GLU A 58 -9.375 -5.857 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.328 -8.518 -13.288 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.873 -5.748 -14.423 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.601 -7.172 -15.408 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.979 -7.890 -14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.205 -6.318 -14.106 1.00 0.00 H new ATOM 869 N PHE A 59 -6.457 -6.863 -13.254 1.00 0.00 N ATOM 870 CA PHE A 59 -5.009 -7.033 -13.276 1.00 0.00 C ATOM 871 C PHE A 59 -4.558 -7.993 -12.179 1.00 0.00 C ATOM 872 O PHE A 59 -3.656 -8.806 -12.383 1.00 0.00 O ATOM 873 CB PHE A 59 -4.313 -5.681 -13.105 1.00 0.00 C ATOM 874 CG PHE A 59 -2.832 -5.735 -13.349 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.331 -6.207 -14.552 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.940 -5.313 -12.376 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.969 -6.257 -14.780 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.577 -5.361 -12.599 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.090 -5.835 -13.802 1.00 0.00 C ATOM 0 H PHE A 59 -6.767 -5.895 -13.170 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.732 -7.456 -14.241 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.760 -4.962 -13.791 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.494 -5.313 -12.095 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.013 -6.540 -15.320 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.314 -4.943 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.592 -6.626 -15.722 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.108 -5.028 -11.833 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.975 -5.875 -13.977 1.00 0.00 H new ATOM 889 N ILE A 60 -5.190 -7.890 -11.015 1.00 0.00 N ATOM 890 CA ILE A 60 -4.854 -8.749 -9.885 1.00 0.00 C ATOM 891 C ILE A 60 -5.167 -10.209 -10.193 1.00 0.00 C ATOM 892 O ILE A 60 -4.345 -11.094 -9.956 1.00 0.00 O ATOM 893 CB ILE A 60 -5.615 -8.329 -8.614 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.940 -7.120 -7.964 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.690 -9.491 -7.634 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.691 -7.471 -7.186 1.00 0.00 C ATOM 0 H ILE A 60 -5.937 -7.221 -10.829 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.784 -8.639 -9.711 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.630 -8.047 -8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.685 -6.397 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.650 -6.634 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.231 -9.179 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.211 -10.327 -8.100 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.682 -9.800 -7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.266 -6.566 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.943 -8.171 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.963 -7.930 -7.855 1.00 0.00 H new ATOM 908 N SER A 61 -6.361 -10.454 -10.724 1.00 0.00 N ATOM 909 CA SER A 61 -6.784 -11.807 -11.063 1.00 0.00 C ATOM 910 C SER A 61 -5.698 -12.535 -11.851 1.00 0.00 C ATOM 911 O SER A 61 -5.603 -13.761 -11.811 1.00 0.00 O ATOM 912 CB SER A 61 -8.081 -11.771 -11.874 1.00 0.00 C ATOM 913 OG SER A 61 -9.212 -11.687 -11.024 1.00 0.00 O ATOM 0 H SER A 61 -7.052 -9.732 -10.929 1.00 0.00 H new ATOM 0 HA SER A 61 -6.960 -12.349 -10.134 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.067 -10.917 -12.551 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.152 -12.666 -12.492 1.00 0.00 H new ATOM 0 HG SER A 61 -9.349 -10.755 -10.753 1.00 0.00 H new ATOM 919 N PHE A 62 -4.881 -11.768 -12.566 1.00 0.00 N ATOM 920 CA PHE A 62 -3.802 -12.338 -13.364 1.00 0.00 C ATOM 921 C PHE A 62 -2.741 -12.974 -12.470 1.00 0.00 C ATOM 922 O PHE A 62 -2.283 -14.087 -12.728 1.00 0.00 O ATOM 923 CB PHE A 62 -3.165 -11.260 -14.243 1.00 0.00 C ATOM 924 CG PHE A 62 -2.455 -11.810 -15.447 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.485 -12.789 -15.307 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.758 -11.349 -16.718 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.829 -13.297 -16.413 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.106 -11.853 -17.827 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.141 -12.829 -17.675 1.00 0.00 C ATOM 0 H PHE A 62 -4.946 -10.751 -12.609 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.226 -13.113 -14.002 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.939 -10.567 -14.573 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.457 -10.686 -13.645 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.238 -13.160 -14.323 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.513 -10.587 -16.843 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.073 -14.059 -16.291 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.351 -11.484 -18.812 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.631 -13.226 -18.541 1.00 0.00 H new ATOM 939 N CYS A 63 -2.356 -12.258 -11.420 1.00 0.00 N ATOM 940 CA CYS A 63 -1.348 -12.750 -10.488 1.00 0.00 C ATOM 941 C CYS A 63 -1.924 -13.838 -9.588 1.00 0.00 C ATOM 942 O CYS A 63 -1.291 -14.868 -9.359 1.00 0.00 O ATOM 943 CB CYS A 63 -0.806 -11.601 -9.636 1.00 0.00 C ATOM 944 SG CYS A 63 0.438 -12.103 -8.424 1.00 0.00 S ATOM 0 H CYS A 63 -2.726 -11.335 -11.193 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.531 -13.179 -11.069 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.373 -10.848 -10.294 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.637 -11.128 -9.113 1.00 0.00 H new ATOM 0 HG CYS A 63 1.159 -11.074 -8.090 1.00 0.00 H new ATOM 950 N ASN A 64 -3.129 -13.601 -9.079 1.00 0.00 N ATOM 951 CA ASN A 64 -3.790 -14.560 -8.201 1.00 0.00 C ATOM 952 C ASN A 64 -3.935 -15.915 -8.887 1.00 0.00 C ATOM 953 O ASN A 64 -3.997 -16.952 -8.228 1.00 0.00 O ATOM 954 CB ASN A 64 -5.166 -14.037 -7.785 1.00 0.00 C ATOM 955 CG ASN A 64 -5.163 -13.447 -6.388 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.687 -14.045 -5.448 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.570 -12.267 -6.246 1.00 0.00 N ATOM 0 H ASN A 64 -3.667 -12.754 -9.259 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.173 -14.687 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.493 -13.278 -8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.890 -14.851 -7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.536 -11.820 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.149 -11.808 -7.053 1.00 0.00 H new ATOM 964 N ALA A 65 -3.987 -15.897 -10.215 1.00 0.00 N ATOM 965 CA ALA A 65 -4.121 -17.124 -10.991 1.00 0.00 C ATOM 966 C ALA A 65 -2.791 -17.864 -11.082 1.00 0.00 C ATOM 967 O ALA A 65 -2.753 -19.056 -11.386 1.00 0.00 O ATOM 968 CB ALA A 65 -4.650 -16.813 -12.383 1.00 0.00 C ATOM 0 H ALA A 65 -3.938 -15.046 -10.776 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.833 -17.772 -10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.745 -17.738 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.626 -16.335 -12.303 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.958 -16.143 -12.894 1.00 0.00 H new ATOM 974 N ASN A 66 -1.702 -17.150 -10.817 1.00 0.00 N ATOM 975 CA ASN A 66 -0.369 -17.740 -10.870 1.00 0.00 C ATOM 976 C ASN A 66 -0.164 -18.503 -12.176 1.00 0.00 C ATOM 977 O ASN A 66 0.205 -19.677 -12.186 1.00 0.00 O ATOM 978 CB ASN A 66 -0.156 -18.677 -9.680 1.00 0.00 C ATOM 979 CG ASN A 66 0.078 -17.923 -8.385 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.199 -17.867 -7.879 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.983 -17.337 -7.842 1.00 0.00 N ATOM 0 H ASN A 66 -1.716 -16.162 -10.563 1.00 0.00 H new ATOM 0 HA ASN A 66 0.361 -16.932 -10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.027 -19.323 -9.569 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.698 -19.325 -9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.887 -16.815 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.894 -17.409 -8.296 1.00 0.00 H new ATOM 988 N PRO A 67 -0.407 -17.820 -13.304 1.00 0.00 N ATOM 989 CA PRO A 67 -0.254 -18.413 -14.636 1.00 0.00 C ATOM 990 C PRO A 67 1.206 -18.672 -14.991 1.00 0.00 C ATOM 991 O PRO A 67 1.521 -19.621 -15.708 1.00 0.00 O ATOM 992 CB PRO A 67 -0.851 -17.354 -15.566 1.00 0.00 C ATOM 993 CG PRO A 67 -0.704 -16.071 -14.823 1.00 0.00 C ATOM 994 CD PRO A 67 -0.849 -16.417 -13.367 1.00 0.00 C ATOM 0 HA PRO A 67 -0.740 -19.386 -14.708 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.324 -17.322 -16.519 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.897 -17.566 -15.787 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.266 -15.614 -15.021 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.464 -15.352 -15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.234 -15.773 -12.738 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.879 -16.305 -13.028 1.00 0.00 H new ATOM 1002 N GLY A 68 2.094 -17.822 -14.485 1.00 0.00 N ATOM 1003 CA GLY A 68 3.510 -17.977 -14.760 1.00 0.00 C ATOM 1004 C GLY A 68 4.055 -16.868 -15.638 1.00 0.00 C ATOM 1005 O GLY A 68 5.176 -16.957 -16.139 1.00 0.00 O ATOM 0 H GLY A 68 1.858 -17.028 -13.889 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.060 -17.995 -13.819 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.679 -18.938 -15.246 1.00 0.00 H new ATOM 1009 N LEU A 69 3.261 -15.820 -15.826 1.00 0.00 N ATOM 1010 CA LEU A 69 3.669 -14.689 -16.651 1.00 0.00 C ATOM 1011 C LEU A 69 4.116 -13.516 -15.784 1.00 0.00 C ATOM 1012 O LEU A 69 5.257 -13.063 -15.875 1.00 0.00 O ATOM 1013 CB LEU A 69 2.519 -14.255 -17.562 1.00 0.00 C ATOM 1014 CG LEU A 69 2.059 -15.283 -18.597 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.203 -15.649 -19.530 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.511 -16.524 -17.909 1.00 0.00 C ATOM 0 H LEU A 69 2.330 -15.730 -15.418 1.00 0.00 H new ATOM 0 HA LEU A 69 4.512 -15.005 -17.266 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.666 -13.992 -16.937 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.820 -13.349 -18.088 1.00 0.00 H new ATOM 0 HG LEU A 69 1.260 -14.840 -19.192 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.857 -16.381 -20.260 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.549 -14.755 -20.049 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.023 -16.073 -18.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.189 -17.244 -18.661 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.289 -16.970 -17.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.662 -16.248 -17.283 1.00 0.00 H new ATOM 1028 N MET A 70 3.209 -13.029 -14.943 1.00 0.00 N ATOM 1029 CA MET A 70 3.512 -11.911 -14.057 1.00 0.00 C ATOM 1030 C MET A 70 4.649 -12.265 -13.103 1.00 0.00 C ATOM 1031 O MET A 70 5.289 -11.383 -12.530 1.00 0.00 O ATOM 1032 CB MET A 70 2.268 -11.513 -13.260 1.00 0.00 C ATOM 1033 CG MET A 70 1.052 -11.236 -14.129 1.00 0.00 C ATOM 1034 SD MET A 70 0.630 -9.485 -14.196 1.00 0.00 S ATOM 1035 CE MET A 70 1.813 -8.897 -15.406 1.00 0.00 C ATOM 0 H MET A 70 2.259 -13.391 -14.857 1.00 0.00 H new ATOM 0 HA MET A 70 3.827 -11.068 -14.672 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.027 -12.310 -12.556 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.493 -10.624 -12.671 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.242 -11.599 -15.139 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.200 -11.796 -13.744 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.546 -7.887 -15.715 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.810 -8.890 -14.966 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.804 -9.556 -16.274 1.00 0.00 H new ATOM 1045 N LYS A 71 4.895 -13.560 -12.938 1.00 0.00 N ATOM 1046 CA LYS A 71 5.956 -14.031 -12.055 1.00 0.00 C ATOM 1047 C LYS A 71 7.277 -13.340 -12.375 1.00 0.00 C ATOM 1048 O LYS A 71 7.975 -12.869 -11.477 1.00 0.00 O ATOM 1049 CB LYS A 71 6.117 -15.548 -12.183 1.00 0.00 C ATOM 1050 CG LYS A 71 4.814 -16.313 -12.033 1.00 0.00 C ATOM 1051 CD LYS A 71 4.201 -16.108 -10.658 1.00 0.00 C ATOM 1052 CE LYS A 71 3.129 -15.030 -10.680 1.00 0.00 C ATOM 1053 NZ LYS A 71 2.048 -15.342 -11.655 1.00 0.00 N ATOM 0 H LYS A 71 4.374 -14.303 -13.404 1.00 0.00 H new ATOM 0 HA LYS A 71 5.678 -13.786 -11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.554 -15.778 -13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.821 -15.895 -11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.110 -15.987 -12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.994 -17.375 -12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.769 -17.045 -10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.981 -15.832 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.700 -14.924 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.582 -14.072 -10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.127 -15.084 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.203 -14.801 -12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.058 -16.359 -11.871 1.00 0.00 H new ATOM 1067 N ASP A 72 7.613 -13.281 -13.659 1.00 0.00 N ATOM 1068 CA ASP A 72 8.850 -12.645 -14.097 1.00 0.00 C ATOM 1069 C ASP A 72 8.659 -11.140 -14.257 1.00 0.00 C ATOM 1070 O ASP A 72 9.603 -10.364 -14.103 1.00 0.00 O ATOM 1071 CB ASP A 72 9.323 -13.255 -15.417 1.00 0.00 C ATOM 1072 CG ASP A 72 10.476 -12.485 -16.031 1.00 0.00 C ATOM 1073 OD1 ASP A 72 11.639 -12.791 -15.696 1.00 0.00 O ATOM 1074 OD2 ASP A 72 10.215 -11.577 -16.847 1.00 0.00 O ATOM 0 H ASP A 72 7.046 -13.666 -14.415 1.00 0.00 H new ATOM 0 HA ASP A 72 9.609 -12.818 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.629 -14.287 -15.248 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.491 -13.280 -16.121 1.00 0.00 H new ATOM 1079 N VAL A 73 7.433 -10.733 -14.569 1.00 0.00 N ATOM 1080 CA VAL A 73 7.118 -9.321 -14.750 1.00 0.00 C ATOM 1081 C VAL A 73 7.260 -8.554 -13.440 1.00 0.00 C ATOM 1082 O VAL A 73 8.053 -7.618 -13.340 1.00 0.00 O ATOM 1083 CB VAL A 73 5.689 -9.130 -15.293 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.407 -7.657 -15.545 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.488 -9.944 -16.562 1.00 0.00 C ATOM 0 H VAL A 73 6.641 -11.362 -14.702 1.00 0.00 H new ATOM 0 HA VAL A 73 7.830 -8.928 -15.476 1.00 0.00 H new ATOM 0 HB VAL A 73 4.983 -9.488 -14.544 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.393 -7.541 -15.928 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.508 -7.102 -14.612 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.118 -7.270 -16.276 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.473 -9.797 -16.932 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.201 -9.619 -17.320 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.646 -11.001 -16.345 1.00 0.00 H new ATOM 1095 N ALA A 74 6.485 -8.957 -12.438 1.00 0.00 N ATOM 1096 CA ALA A 74 6.526 -8.310 -11.133 1.00 0.00 C ATOM 1097 C ALA A 74 7.933 -8.344 -10.547 1.00 0.00 C ATOM 1098 O ALA A 74 8.274 -7.544 -9.675 1.00 0.00 O ATOM 1099 CB ALA A 74 5.540 -8.973 -10.183 1.00 0.00 C ATOM 0 H ALA A 74 5.821 -9.729 -12.506 1.00 0.00 H new ATOM 0 HA ALA A 74 6.241 -7.266 -11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.582 -8.479 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.532 -8.890 -10.589 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.799 -10.025 -10.066 1.00 0.00 H new ATOM 1105 N LYS A 75 8.748 -9.276 -11.030 1.00 0.00 N ATOM 1106 CA LYS A 75 10.119 -9.416 -10.554 1.00 0.00 C ATOM 1107 C LYS A 75 10.951 -8.192 -10.927 1.00 0.00 C ATOM 1108 O LYS A 75 11.878 -7.817 -10.208 1.00 0.00 O ATOM 1109 CB LYS A 75 10.758 -10.677 -11.139 1.00 0.00 C ATOM 1110 CG LYS A 75 11.831 -10.391 -12.175 1.00 0.00 C ATOM 1111 CD LYS A 75 12.264 -11.658 -12.894 1.00 0.00 C ATOM 1112 CE LYS A 75 12.751 -12.716 -11.915 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.026 -13.341 -12.363 1.00 0.00 N ATOM 0 H LYS A 75 8.482 -9.946 -11.752 1.00 0.00 H new ATOM 0 HA LYS A 75 10.093 -9.500 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.194 -11.262 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.980 -11.291 -11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.454 -9.670 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.694 -9.934 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.429 -12.053 -13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.059 -11.422 -13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.893 -12.264 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.988 -13.487 -11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.325 -14.056 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.884 -13.794 -13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.761 -12.610 -12.445 1.00 0.00 H new ATOM 1127 N VAL A 76 10.613 -7.573 -12.054 1.00 0.00 N ATOM 1128 CA VAL A 76 11.327 -6.391 -12.520 1.00 0.00 C ATOM 1129 C VAL A 76 10.520 -5.124 -12.261 1.00 0.00 C ATOM 1130 O VAL A 76 10.699 -4.111 -12.939 1.00 0.00 O ATOM 1131 CB VAL A 76 11.646 -6.484 -14.024 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.709 -7.542 -14.280 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.384 -6.783 -14.818 1.00 0.00 C ATOM 0 H VAL A 76 9.849 -7.871 -12.661 1.00 0.00 H new ATOM 0 HA VAL A 76 12.261 -6.345 -11.960 1.00 0.00 H new ATOM 0 HB VAL A 76 12.037 -5.522 -14.355 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.921 -7.593 -15.348 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.620 -7.281 -13.741 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.349 -8.511 -13.935 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.628 -6.845 -15.879 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.962 -7.732 -14.486 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.657 -5.987 -14.659 1.00 0.00 H new ATOM 1143 N PHE A 77 9.632 -5.186 -11.274 1.00 0.00 N ATOM 1144 CA PHE A 77 8.796 -4.043 -10.925 1.00 0.00 C ATOM 1145 C PHE A 77 7.973 -4.334 -9.673 1.00 0.00 C ATOM 1146 O PHE A 77 7.108 -5.210 -9.677 1.00 0.00 O ATOM 1147 CB PHE A 77 7.868 -3.688 -12.089 1.00 0.00 C ATOM 1148 CG PHE A 77 7.731 -2.210 -12.316 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.632 -1.533 -13.121 1.00 0.00 C ATOM 1150 CD2 PHE A 77 6.700 -1.498 -11.725 1.00 0.00 C ATOM 1151 CE1 PHE A 77 8.509 -0.173 -13.333 1.00 0.00 C ATOM 1152 CE2 PHE A 77 6.571 -0.138 -11.933 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.477 0.526 -12.737 1.00 0.00 C ATOM 0 H PHE A 77 9.473 -6.015 -10.702 1.00 0.00 H new ATOM 0 HA PHE A 77 9.450 -3.195 -10.720 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.245 -4.154 -12.999 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.882 -4.111 -11.899 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.441 -2.075 -13.589 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.989 -2.012 -11.095 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.218 0.343 -13.963 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.762 0.405 -11.467 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.379 1.589 -12.899 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.515 -5.354 -18.768 1.00 0.00 MG