USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=16 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 180:sc= 0.369 USER MOD Set 1.2: A 22 SER OG : rot 26:sc= 0.048 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -148:sc= -0.552 (180deg=-3.11!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= 0.069 F(o=-1,f=0.069) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 48:sc= -1.07 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.114 USER MOD Single : A 34 THR OG1 : rot -50:sc= 0.869 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 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -176:sc= -0.944 (180deg=-0.984) USER MOD Single : A 48 THR OG1 : rot -26:sc= 0.0791 USER MOD Single : A 57 ASN : amide:sc= -0.525 X(o=-0.52,f=-0.16) USER MOD Single : A 61 SER OG : rot 81:sc= 0.109 USER MOD Single : A 63 CYS SG : rot 155:sc= 0.503 USER MOD Single : A 64 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 66 ASN : amide:sc=0.000644 X(o=0.00064,f=0) USER MOD Single : A 70 MET CE :methyl 164:sc= 0 (180deg=-0.133) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.279 -1.573 1.550 1.00 0.00 N ATOM 2 CA ALA A 1 4.121 -1.806 0.383 1.00 0.00 C ATOM 3 C ALA A 1 3.532 -2.892 -0.511 1.00 0.00 C ATOM 4 O ALA A 1 3.453 -4.057 -0.120 1.00 0.00 O ATOM 5 CB ALA A 1 5.530 -2.183 0.816 1.00 0.00 C ATOM 0 H1 ALA A 1 3.703 -0.830 2.141 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.333 -1.272 1.241 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.200 -2.451 2.102 1.00 0.00 H new ATOM 0 HA ALA A 1 4.165 -0.882 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.148 -2.354 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.958 -1.373 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.495 -3.092 1.417 1.00 0.00 H new ATOM 11 N ASP A 2 3.120 -2.503 -1.713 1.00 0.00 N ATOM 12 CA ASP A 2 2.538 -3.444 -2.663 1.00 0.00 C ATOM 13 C ASP A 2 3.433 -3.603 -3.887 1.00 0.00 C ATOM 14 O ASP A 2 4.335 -2.798 -4.118 1.00 0.00 O ATOM 15 CB ASP A 2 1.146 -2.975 -3.091 1.00 0.00 C ATOM 16 CG ASP A 2 0.071 -3.371 -2.099 1.00 0.00 C ATOM 17 OD1 ASP A 2 0.300 -3.213 -0.881 1.00 0.00 O ATOM 18 OD2 ASP A 2 -0.999 -3.841 -2.539 1.00 0.00 O ATOM 0 H ASP A 2 3.178 -1.543 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 2 2.451 -4.412 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.150 -1.891 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.908 -3.397 -4.068 1.00 0.00 H new ATOM 23 N ASP A 3 3.179 -4.648 -4.668 1.00 0.00 N ATOM 24 CA ASP A 3 3.962 -4.913 -5.869 1.00 0.00 C ATOM 25 C ASP A 3 3.108 -4.747 -7.122 1.00 0.00 C ATOM 26 O ASP A 3 3.410 -3.926 -7.987 1.00 0.00 O ATOM 27 CB ASP A 3 4.548 -6.325 -5.820 1.00 0.00 C ATOM 28 CG ASP A 3 5.456 -6.533 -4.624 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.713 -5.551 -3.896 1.00 0.00 O ATOM 30 OD2 ASP A 3 5.909 -7.678 -4.415 1.00 0.00 O ATOM 0 H ASP A 3 2.437 -5.325 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 3 4.777 -4.191 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.736 -7.051 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.108 -6.515 -6.735 1.00 0.00 H new ATOM 35 N MET A 4 2.040 -5.534 -7.213 1.00 0.00 N ATOM 36 CA MET A 4 1.143 -5.473 -8.361 1.00 0.00 C ATOM 37 C MET A 4 0.633 -4.052 -8.579 1.00 0.00 C ATOM 38 O MET A 4 0.283 -3.674 -9.696 1.00 0.00 O ATOM 39 CB MET A 4 -0.038 -6.426 -8.162 1.00 0.00 C ATOM 40 CG MET A 4 0.367 -7.798 -7.649 1.00 0.00 C ATOM 41 SD MET A 4 1.720 -8.522 -8.596 1.00 0.00 S ATOM 42 CE MET A 4 1.068 -8.405 -10.261 1.00 0.00 C ATOM 0 H MET A 4 1.775 -6.220 -6.506 1.00 0.00 H new ATOM 0 HA MET A 4 1.703 -5.778 -9.245 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.741 -5.978 -7.460 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.564 -6.542 -9.110 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.663 -7.718 -6.603 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.495 -8.464 -7.686 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.436 -9.241 -10.856 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.021 -8.435 -10.228 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.392 -7.468 -10.713 1.00 0.00 H new ATOM 52 N GLU A 5 0.595 -3.270 -7.504 1.00 0.00 N ATOM 53 CA GLU A 5 0.128 -1.891 -7.580 1.00 0.00 C ATOM 54 C GLU A 5 1.030 -1.060 -8.487 1.00 0.00 C ATOM 55 O GLU A 5 0.550 -0.304 -9.333 1.00 0.00 O ATOM 56 CB GLU A 5 0.078 -1.269 -6.183 1.00 0.00 C ATOM 57 CG GLU A 5 -0.620 0.080 -6.141 1.00 0.00 C ATOM 58 CD GLU A 5 -1.358 0.315 -4.838 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.181 -0.543 -4.457 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.112 1.359 -4.198 1.00 0.00 O ATOM 0 H GLU A 5 0.882 -3.568 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.876 -1.897 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.434 -1.954 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.095 -1.154 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.117 0.871 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.324 0.146 -6.970 1.00 0.00 H new ATOM 67 N ARG A 6 2.338 -1.204 -8.304 1.00 0.00 N ATOM 68 CA ARG A 6 3.308 -0.466 -9.104 1.00 0.00 C ATOM 69 C ARG A 6 3.093 -0.724 -10.593 1.00 0.00 C ATOM 70 O ARG A 6 2.820 0.199 -11.360 1.00 0.00 O ATOM 71 CB ARG A 6 4.732 -0.858 -8.708 1.00 0.00 C ATOM 72 CG ARG A 6 5.328 0.027 -7.625 1.00 0.00 C ATOM 73 CD ARG A 6 5.880 1.321 -8.204 1.00 0.00 C ATOM 74 NE ARG A 6 6.598 2.106 -7.204 1.00 0.00 N ATOM 75 CZ ARG A 6 7.822 1.812 -6.779 1.00 0.00 C ATOM 76 NH1 ARG A 6 8.460 0.756 -7.266 1.00 0.00 N ATOM 77 NH2 ARG A 6 8.409 2.574 -5.866 1.00 0.00 N ATOM 0 H ARG A 6 2.751 -1.825 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 6 3.165 0.597 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.732 -1.892 -8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.370 -0.817 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.566 0.256 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.124 -0.511 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.549 1.091 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.061 1.914 -8.611 1.00 0.00 H new ATOM 0 HE ARG A 6 6.135 2.925 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.011 0.168 -7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.400 0.532 -6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.921 3.387 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.349 2.347 -5.540 1.00 0.00 H new ATOM 91 N ILE A 7 3.220 -1.985 -10.994 1.00 0.00 N ATOM 92 CA ILE A 7 3.039 -2.364 -12.389 1.00 0.00 C ATOM 93 C ILE A 7 1.720 -1.831 -12.938 1.00 0.00 C ATOM 94 O ILE A 7 1.675 -1.250 -14.022 1.00 0.00 O ATOM 95 CB ILE A 7 3.075 -3.893 -12.567 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.317 -4.478 -11.890 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.050 -4.256 -14.044 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.029 -5.123 -10.553 1.00 0.00 C ATOM 0 H ILE A 7 3.448 -2.761 -10.372 1.00 0.00 H new ATOM 0 HA ILE A 7 3.866 -1.922 -12.945 1.00 0.00 H new ATOM 0 HB ILE A 7 2.191 -4.320 -12.094 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.767 -5.218 -12.552 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.052 -3.686 -11.751 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.076 -5.340 -14.153 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.139 -3.867 -14.499 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.917 -3.821 -14.540 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.954 -5.516 -10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.607 -4.381 -9.875 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.317 -5.938 -10.688 1.00 0.00 H new ATOM 110 N PHE A 8 0.647 -2.031 -12.180 1.00 0.00 N ATOM 111 CA PHE A 8 -0.675 -1.569 -12.589 1.00 0.00 C ATOM 112 C PHE A 8 -0.647 -0.086 -12.945 1.00 0.00 C ATOM 113 O PHE A 8 -1.259 0.342 -13.924 1.00 0.00 O ATOM 114 CB PHE A 8 -1.693 -1.819 -11.475 1.00 0.00 C ATOM 115 CG PHE A 8 -3.053 -1.252 -11.767 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.985 -1.986 -12.482 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.398 0.016 -11.328 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.238 -1.467 -12.753 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.649 0.540 -11.595 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.569 -0.202 -12.309 1.00 0.00 C ATOM 0 H PHE A 8 0.667 -2.510 -11.280 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.971 -2.131 -13.475 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.783 -2.893 -11.311 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.319 -1.385 -10.548 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.730 -2.975 -12.832 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.682 0.602 -10.771 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.956 -2.050 -13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.907 1.529 -11.245 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.546 0.207 -12.520 1.00 0.00 H new ATOM 130 N LYS A 9 0.068 0.696 -12.142 1.00 0.00 N ATOM 131 CA LYS A 9 0.177 2.132 -12.370 1.00 0.00 C ATOM 132 C LYS A 9 1.200 2.432 -13.461 1.00 0.00 C ATOM 133 O LYS A 9 1.186 3.509 -14.058 1.00 0.00 O ATOM 134 CB LYS A 9 0.572 2.846 -11.075 1.00 0.00 C ATOM 135 CG LYS A 9 -0.534 2.872 -10.034 1.00 0.00 C ATOM 136 CD LYS A 9 -0.011 3.312 -8.677 1.00 0.00 C ATOM 137 CE LYS A 9 -1.042 3.084 -7.582 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.828 4.316 -7.295 1.00 0.00 N ATOM 0 H LYS A 9 0.581 0.359 -11.327 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.796 2.499 -12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.447 2.354 -10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.864 3.870 -11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.324 3.550 -10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.979 1.881 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.900 2.762 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.255 4.368 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.718 2.283 -7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.539 2.754 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.520 4.119 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.186 5.073 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.328 4.617 -8.156 1.00 0.00 H new ATOM 152 N ARG A 10 2.085 1.475 -13.716 1.00 0.00 N ATOM 153 CA ARG A 10 3.115 1.638 -14.736 1.00 0.00 C ATOM 154 C ARG A 10 2.496 2.018 -16.077 1.00 0.00 C ATOM 155 O ARG A 10 2.887 3.010 -16.694 1.00 0.00 O ATOM 156 CB ARG A 10 3.925 0.349 -14.883 1.00 0.00 C ATOM 157 CG ARG A 10 5.250 0.541 -15.602 1.00 0.00 C ATOM 158 CD ARG A 10 5.885 -0.792 -15.967 1.00 0.00 C ATOM 159 NE ARG A 10 7.339 -0.697 -16.063 1.00 0.00 N ATOM 160 CZ ARG A 10 8.149 -1.750 -16.023 1.00 0.00 C ATOM 161 NH1 ARG A 10 7.648 -2.970 -15.890 1.00 0.00 N ATOM 162 NH2 ARG A 10 9.462 -1.583 -16.117 1.00 0.00 N ATOM 0 H ARG A 10 2.110 0.578 -13.231 1.00 0.00 H new ATOM 0 HA ARG A 10 3.779 2.443 -14.421 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.115 -0.065 -13.893 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.329 -0.384 -15.426 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.093 1.130 -16.506 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.931 1.108 -14.967 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.619 -1.538 -15.218 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.481 -1.138 -16.918 1.00 0.00 H new ATOM 0 HE ARG A 10 7.756 0.228 -16.166 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.639 -3.102 -15.818 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.271 -3.777 -15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.851 -0.646 -16.220 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.082 -2.392 -16.086 1.00 0.00 H new ATOM 176 N PHE A 11 1.528 1.224 -16.523 1.00 0.00 N ATOM 177 CA PHE A 11 0.856 1.477 -17.793 1.00 0.00 C ATOM 178 C PHE A 11 -0.184 2.583 -17.646 1.00 0.00 C ATOM 179 O PHE A 11 -0.792 3.013 -18.627 1.00 0.00 O ATOM 180 CB PHE A 11 0.189 0.198 -18.304 1.00 0.00 C ATOM 181 CG PHE A 11 1.113 -0.985 -18.345 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.470 -0.814 -18.572 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.626 -2.268 -18.157 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.322 -1.901 -18.611 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.474 -3.359 -18.195 1.00 0.00 C ATOM 186 CZ PHE A 11 2.824 -3.175 -18.421 1.00 0.00 C ATOM 0 H PHE A 11 1.191 0.400 -16.024 1.00 0.00 H new ATOM 0 HA PHE A 11 1.606 1.801 -18.515 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.662 -0.038 -17.666 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.203 0.377 -19.305 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.866 0.180 -18.720 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.429 -2.418 -17.979 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.377 -1.754 -18.790 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.081 -4.354 -18.048 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.489 -4.026 -18.449 1.00 0.00 H new ATOM 196 N ASP A 12 -0.384 3.040 -16.415 1.00 0.00 N ATOM 197 CA ASP A 12 -1.351 4.096 -16.138 1.00 0.00 C ATOM 198 C ASP A 12 -0.795 5.459 -16.538 1.00 0.00 C ATOM 199 O ASP A 12 -0.604 6.336 -15.695 1.00 0.00 O ATOM 200 CB ASP A 12 -1.725 4.099 -14.655 1.00 0.00 C ATOM 201 CG ASP A 12 -2.954 4.939 -14.370 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.746 5.169 -15.308 1.00 0.00 O ATOM 203 OD2 ASP A 12 -3.125 5.368 -13.210 1.00 0.00 O ATOM 0 H ASP A 12 0.111 2.696 -15.592 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.246 3.900 -16.729 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.904 3.075 -14.326 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.886 4.479 -14.072 1.00 0.00 H new ATOM 208 N THR A 13 -0.535 5.631 -17.831 1.00 0.00 N ATOM 209 CA THR A 13 0.001 6.886 -18.343 1.00 0.00 C ATOM 210 C THR A 13 -1.117 7.813 -18.805 1.00 0.00 C ATOM 211 O THR A 13 -0.863 8.847 -19.422 1.00 0.00 O ATOM 212 CB THR A 13 0.971 6.646 -19.515 1.00 0.00 C ATOM 213 OG1 THR A 13 1.722 5.447 -19.292 1.00 0.00 O ATOM 214 CG2 THR A 13 1.921 7.822 -19.681 1.00 0.00 C ATOM 0 H THR A 13 -0.687 4.916 -18.543 1.00 0.00 H new ATOM 0 HA THR A 13 0.544 7.356 -17.523 1.00 0.00 H new ATOM 0 HB THR A 13 0.384 6.542 -20.428 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.335 5.301 -20.042 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.596 7.629 -20.515 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.348 8.727 -19.880 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.501 7.953 -18.767 1.00 0.00 H new ATOM 222 N ASN A 14 -2.355 7.437 -18.502 1.00 0.00 N ATOM 223 CA ASN A 14 -3.513 8.237 -18.887 1.00 0.00 C ATOM 224 C ASN A 14 -4.221 8.795 -17.657 1.00 0.00 C ATOM 225 O ASN A 14 -4.987 9.754 -17.751 1.00 0.00 O ATOM 226 CB ASN A 14 -4.488 7.395 -19.714 1.00 0.00 C ATOM 227 CG ASN A 14 -4.241 5.907 -19.560 1.00 0.00 C ATOM 228 OD1 ASN A 14 -4.404 5.404 -18.342 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 -3.909 5.218 -20.525 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.583 6.584 -17.991 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.162 9.073 -19.492 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.510 7.624 -19.411 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.399 7.668 -20.765 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.795 5.647 -21.443 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.748 4.218 -20.406 1.00 0.00 H new ATOM 236 N GLY A 15 -3.960 8.188 -16.503 1.00 0.00 N ATOM 237 CA GLY A 15 -4.580 8.638 -15.271 1.00 0.00 C ATOM 238 C GLY A 15 -5.929 7.990 -15.030 1.00 0.00 C ATOM 239 O GLY A 15 -6.508 8.129 -13.953 1.00 0.00 O ATOM 0 H GLY A 15 -3.330 7.392 -16.400 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.919 8.416 -14.433 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.701 9.721 -15.303 1.00 0.00 H new ATOM 243 N ASP A 16 -6.431 7.283 -16.036 1.00 0.00 N ATOM 244 CA ASP A 16 -7.721 6.611 -15.929 1.00 0.00 C ATOM 245 C ASP A 16 -7.694 5.553 -14.830 1.00 0.00 C ATOM 246 O ASP A 16 -6.656 5.307 -14.218 1.00 0.00 O ATOM 247 CB ASP A 16 -8.098 5.967 -17.264 1.00 0.00 C ATOM 248 CG ASP A 16 -8.829 6.926 -18.183 1.00 0.00 C ATOM 249 OD1 ASP A 16 -10.053 7.099 -18.006 1.00 0.00 O ATOM 250 OD2 ASP A 16 -8.178 7.502 -19.080 1.00 0.00 O ATOM 0 H ASP A 16 -5.965 7.160 -16.935 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.471 7.359 -15.671 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.195 5.610 -17.760 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.726 5.095 -17.079 1.00 0.00 H new ATOM 255 N GLY A 17 -8.843 4.931 -14.585 1.00 0.00 N ATOM 256 CA GLY A 17 -8.929 3.908 -13.560 1.00 0.00 C ATOM 257 C GLY A 17 -8.735 2.511 -14.116 1.00 0.00 C ATOM 258 O GLY A 17 -9.141 1.527 -13.498 1.00 0.00 O ATOM 0 H GLY A 17 -9.716 5.118 -15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.175 4.099 -12.796 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.901 3.969 -13.071 1.00 0.00 H new ATOM 262 N LYS A 18 -8.114 2.424 -15.287 1.00 0.00 N ATOM 263 CA LYS A 18 -7.867 1.138 -15.929 1.00 0.00 C ATOM 264 C LYS A 18 -6.638 1.206 -16.829 1.00 0.00 C ATOM 265 O LYS A 18 -6.155 2.291 -17.154 1.00 0.00 O ATOM 266 CB LYS A 18 -9.088 0.710 -16.747 1.00 0.00 C ATOM 267 CG LYS A 18 -10.310 0.403 -15.899 1.00 0.00 C ATOM 268 CD LYS A 18 -11.425 -0.211 -16.730 1.00 0.00 C ATOM 269 CE LYS A 18 -12.556 0.779 -16.963 1.00 0.00 C ATOM 270 NZ LYS A 18 -12.965 0.828 -18.394 1.00 0.00 N ATOM 0 H LYS A 18 -7.772 3.229 -15.811 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.683 0.400 -15.148 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.336 1.501 -17.455 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.831 -0.173 -17.333 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.034 -0.281 -15.096 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.667 1.319 -15.429 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.026 -0.541 -17.689 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.813 -1.095 -16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.413 0.502 -16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.242 1.772 -16.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.738 1.514 -18.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.154 1.117 -18.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.289 -0.113 -18.695 1.00 0.00 H new ATOM 284 N ILE A 19 -6.137 0.042 -17.228 1.00 0.00 N ATOM 285 CA ILE A 19 -4.965 -0.029 -18.092 1.00 0.00 C ATOM 286 C ILE A 19 -5.207 -0.967 -19.270 1.00 0.00 C ATOM 287 O ILE A 19 -5.785 -2.042 -19.112 1.00 0.00 O ATOM 288 CB ILE A 19 -3.723 -0.506 -17.318 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.988 -1.867 -16.671 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.329 0.519 -16.264 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.779 -2.453 -15.978 1.00 0.00 C ATOM 0 H ILE A 19 -6.524 -0.865 -16.967 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.786 0.980 -18.464 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.896 -0.614 -18.020 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.797 -1.765 -15.948 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.331 -2.563 -17.436 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.449 0.167 -15.725 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.103 1.469 -16.747 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.153 0.656 -15.563 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.041 -3.417 -15.543 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.975 -2.588 -16.701 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.448 -1.777 -15.190 1.00 0.00 H new ATOM 303 N SER A 20 -4.760 -0.553 -20.451 1.00 0.00 N ATOM 304 CA SER A 20 -4.929 -1.355 -21.657 1.00 0.00 C ATOM 305 C SER A 20 -4.242 -2.709 -21.510 1.00 0.00 C ATOM 306 O SER A 20 -3.046 -2.783 -21.225 1.00 0.00 O ATOM 307 CB SER A 20 -4.367 -0.613 -22.871 1.00 0.00 C ATOM 308 OG SER A 20 -4.123 -1.505 -23.945 1.00 0.00 O ATOM 0 H SER A 20 -4.278 0.334 -20.599 1.00 0.00 H new ATOM 0 HA SER A 20 -5.996 -1.523 -21.805 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.069 0.158 -23.187 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.441 -0.108 -22.596 1.00 0.00 H new ATOM 0 HG SER A 20 -3.766 -1.007 -24.709 1.00 0.00 H new ATOM 314 N LEU A 21 -5.006 -3.777 -21.705 1.00 0.00 N ATOM 315 CA LEU A 21 -4.472 -5.130 -21.595 1.00 0.00 C ATOM 316 C LEU A 21 -3.874 -5.590 -22.921 1.00 0.00 C ATOM 317 O LEU A 21 -3.140 -6.577 -22.973 1.00 0.00 O ATOM 318 CB LEU A 21 -5.572 -6.099 -21.155 1.00 0.00 C ATOM 319 CG LEU A 21 -6.951 -5.876 -21.777 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.889 -6.043 -23.287 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.969 -6.833 -21.174 1.00 0.00 C ATOM 0 H LEU A 21 -5.998 -3.733 -21.940 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.681 -5.122 -20.845 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.250 -7.114 -21.389 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.670 -6.038 -20.071 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.267 -4.856 -21.558 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.880 -5.881 -23.712 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.191 -5.317 -23.705 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.552 -7.051 -23.528 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.945 -6.660 -21.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.658 -7.861 -21.362 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.034 -6.665 -20.099 1.00 0.00 H new ATOM 333 N SER A 22 -4.191 -4.866 -23.990 1.00 0.00 N ATOM 334 CA SER A 22 -3.687 -5.200 -25.316 1.00 0.00 C ATOM 335 C SER A 22 -2.268 -4.672 -25.506 1.00 0.00 C ATOM 336 O SER A 22 -1.388 -5.386 -25.987 1.00 0.00 O ATOM 337 CB SER A 22 -4.606 -4.624 -26.395 1.00 0.00 C ATOM 338 OG SER A 22 -5.091 -3.345 -26.022 1.00 0.00 O ATOM 0 H SER A 22 -4.795 -4.044 -23.963 1.00 0.00 H new ATOM 0 HA SER A 22 -3.668 -6.286 -25.407 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.064 -4.550 -27.338 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.445 -5.300 -26.562 1.00 0.00 H new ATOM 0 HG SER A 22 -4.458 -2.922 -25.404 1.00 0.00 H new ATOM 344 N GLU A 23 -2.054 -3.417 -25.125 1.00 0.00 N ATOM 345 CA GLU A 23 -0.743 -2.792 -25.254 1.00 0.00 C ATOM 346 C GLU A 23 0.265 -3.444 -24.311 1.00 0.00 C ATOM 347 O GLU A 23 1.469 -3.443 -24.574 1.00 0.00 O ATOM 348 CB GLU A 23 -0.836 -1.293 -24.962 1.00 0.00 C ATOM 349 CG GLU A 23 -1.032 -0.971 -23.490 1.00 0.00 C ATOM 350 CD GLU A 23 -1.119 0.520 -23.226 1.00 0.00 C ATOM 351 OE1 GLU A 23 -1.485 1.266 -24.158 1.00 0.00 O ATOM 352 OE2 GLU A 23 -0.821 0.940 -22.088 1.00 0.00 O ATOM 0 H GLU A 23 -2.772 -2.813 -24.724 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.401 -2.934 -26.279 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.073 -0.806 -25.314 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.664 -0.871 -25.531 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.943 -1.453 -23.135 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.205 -1.390 -22.917 1.00 0.00 H new ATOM 359 N LEU A 24 -0.234 -3.999 -23.213 1.00 0.00 N ATOM 360 CA LEU A 24 0.621 -4.654 -22.230 1.00 0.00 C ATOM 361 C LEU A 24 1.377 -5.821 -22.857 1.00 0.00 C ATOM 362 O LEU A 24 2.608 -5.820 -22.912 1.00 0.00 O ATOM 363 CB LEU A 24 -0.214 -5.149 -21.047 1.00 0.00 C ATOM 364 CG LEU A 24 0.443 -6.206 -20.158 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.168 -7.602 -20.695 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.941 -5.958 -20.053 1.00 0.00 C ATOM 0 H LEU A 24 -1.227 -4.009 -22.981 1.00 0.00 H new ATOM 0 HA LEU A 24 1.348 -3.924 -21.874 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.473 -4.291 -20.427 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.148 -5.557 -21.433 1.00 0.00 H new ATOM 0 HG LEU A 24 0.012 -6.132 -19.160 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.643 -8.340 -20.049 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.907 -7.778 -20.717 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.571 -7.690 -21.704 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.392 -6.719 -19.417 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.388 -6.004 -21.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.117 -4.973 -19.621 1.00 0.00 H new ATOM 378 N THR A 25 0.633 -6.815 -23.331 1.00 0.00 N ATOM 379 CA THR A 25 1.233 -7.988 -23.956 1.00 0.00 C ATOM 380 C THR A 25 2.184 -7.587 -25.078 1.00 0.00 C ATOM 381 O THR A 25 3.225 -8.213 -25.276 1.00 0.00 O ATOM 382 CB THR A 25 0.158 -8.934 -24.523 1.00 0.00 C ATOM 383 OG1 THR A 25 0.763 -9.901 -25.389 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.901 -8.153 -25.288 1.00 0.00 C ATOM 0 H THR A 25 -0.386 -6.832 -23.294 1.00 0.00 H new ATOM 0 HA THR A 25 1.792 -8.509 -23.179 1.00 0.00 H new ATOM 0 HB THR A 25 -0.322 -9.445 -23.688 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.545 -10.293 -24.946 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.650 -8.842 -25.679 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.380 -7.438 -24.619 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.433 -7.619 -26.115 1.00 0.00 H new ATOM 392 N ASP A 26 1.820 -6.540 -25.810 1.00 0.00 N ATOM 393 CA ASP A 26 2.642 -6.054 -26.912 1.00 0.00 C ATOM 394 C ASP A 26 3.809 -5.220 -26.393 1.00 0.00 C ATOM 395 O ASP A 26 4.805 -5.027 -27.089 1.00 0.00 O ATOM 396 CB ASP A 26 1.797 -5.224 -27.880 1.00 0.00 C ATOM 397 CG ASP A 26 2.350 -5.240 -29.291 1.00 0.00 C ATOM 398 OD1 ASP A 26 2.356 -6.323 -29.915 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.777 -4.170 -29.773 1.00 0.00 O ATOM 0 H ASP A 26 0.961 -6.011 -25.660 1.00 0.00 H new ATOM 0 HA ASP A 26 3.043 -6.918 -27.441 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.777 -5.608 -27.888 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.747 -4.195 -27.524 1.00 0.00 H new ATOM 404 N ALA A 27 3.679 -4.729 -25.165 1.00 0.00 N ATOM 405 CA ALA A 27 4.723 -3.917 -24.552 1.00 0.00 C ATOM 406 C ALA A 27 5.754 -4.790 -23.845 1.00 0.00 C ATOM 407 O ALA A 27 6.938 -4.456 -23.798 1.00 0.00 O ATOM 408 CB ALA A 27 4.112 -2.922 -23.575 1.00 0.00 C ATOM 0 H ALA A 27 2.861 -4.879 -24.575 1.00 0.00 H new ATOM 0 HA ALA A 27 5.233 -3.367 -25.343 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.903 -2.322 -23.124 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.419 -2.269 -24.106 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.576 -3.461 -22.794 1.00 0.00 H new ATOM 414 N LEU A 28 5.297 -5.910 -23.296 1.00 0.00 N ATOM 415 CA LEU A 28 6.180 -6.832 -22.591 1.00 0.00 C ATOM 416 C LEU A 28 7.381 -7.204 -23.454 1.00 0.00 C ATOM 417 O LEU A 28 8.437 -7.572 -22.941 1.00 0.00 O ATOM 418 CB LEU A 28 5.416 -8.095 -22.189 1.00 0.00 C ATOM 419 CG LEU A 28 4.813 -8.096 -20.783 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.932 -9.319 -20.581 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.912 -8.047 -19.732 1.00 0.00 C ATOM 0 H LEU A 28 4.320 -6.201 -23.326 1.00 0.00 H new ATOM 0 HA LEU A 28 6.542 -6.333 -21.693 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.612 -8.253 -22.908 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.091 -8.946 -22.274 1.00 0.00 H new ATOM 0 HG LEU A 28 4.193 -7.206 -20.673 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.512 -9.303 -19.575 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.124 -9.310 -21.312 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.528 -10.222 -20.710 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.465 -8.048 -18.738 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.558 -8.918 -19.840 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.501 -7.139 -19.864 1.00 0.00 H new ATOM 433 N ARG A 29 7.211 -7.104 -24.769 1.00 0.00 N ATOM 434 CA ARG A 29 8.282 -7.429 -25.704 1.00 0.00 C ATOM 435 C ARG A 29 9.487 -6.519 -25.488 1.00 0.00 C ATOM 436 O ARG A 29 10.631 -6.927 -25.689 1.00 0.00 O ATOM 437 CB ARG A 29 7.784 -7.302 -27.145 1.00 0.00 C ATOM 438 CG ARG A 29 7.657 -5.864 -27.621 1.00 0.00 C ATOM 439 CD ARG A 29 7.000 -5.787 -28.990 1.00 0.00 C ATOM 440 NE ARG A 29 7.927 -5.313 -30.015 1.00 0.00 N ATOM 441 CZ ARG A 29 8.771 -6.106 -30.666 1.00 0.00 C ATOM 442 NH1 ARG A 29 8.805 -7.404 -30.400 1.00 0.00 N ATOM 443 NH2 ARG A 29 9.583 -5.600 -31.585 1.00 0.00 N ATOM 0 H ARG A 29 6.343 -6.801 -25.210 1.00 0.00 H new ATOM 0 HA ARG A 29 8.590 -8.459 -25.522 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.468 -7.835 -27.805 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.813 -7.791 -27.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.071 -5.292 -26.902 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.645 -5.405 -27.664 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.624 -6.772 -29.268 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.140 -5.120 -28.942 1.00 0.00 H new ATOM 0 HE ARG A 29 7.926 -4.319 -30.243 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.182 -7.796 -29.694 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.454 -8.011 -30.901 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.560 -4.602 -31.792 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.231 -6.209 -32.084 1.00 0.00 H new ATOM 457 N THR A 30 9.223 -5.282 -25.078 1.00 0.00 N ATOM 458 CA THR A 30 10.284 -4.314 -24.837 1.00 0.00 C ATOM 459 C THR A 30 10.952 -4.554 -23.488 1.00 0.00 C ATOM 460 O THR A 30 12.113 -4.197 -23.285 1.00 0.00 O ATOM 461 CB THR A 30 9.749 -2.870 -24.882 1.00 0.00 C ATOM 462 OG1 THR A 30 10.789 -1.974 -25.288 1.00 0.00 O ATOM 463 CG2 THR A 30 9.213 -2.450 -23.521 1.00 0.00 C ATOM 0 H THR A 30 8.282 -4.928 -24.906 1.00 0.00 H new ATOM 0 HA THR A 30 11.018 -4.447 -25.632 1.00 0.00 H new ATOM 0 HB THR A 30 8.934 -2.830 -25.605 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.440 -1.059 -25.315 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.841 -1.427 -23.576 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.402 -3.116 -23.228 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.012 -2.505 -22.782 1.00 0.00 H new ATOM 471 N LEU A 31 10.212 -5.163 -22.567 1.00 0.00 N ATOM 472 CA LEU A 31 10.734 -5.453 -21.236 1.00 0.00 C ATOM 473 C LEU A 31 11.658 -6.665 -21.265 1.00 0.00 C ATOM 474 O LEU A 31 12.264 -7.021 -20.255 1.00 0.00 O ATOM 475 CB LEU A 31 9.583 -5.697 -20.258 1.00 0.00 C ATOM 476 CG LEU A 31 9.177 -4.508 -19.388 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.329 -4.084 -18.491 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.718 -3.344 -20.255 1.00 0.00 C ATOM 0 H LEU A 31 9.250 -5.465 -22.718 1.00 0.00 H new ATOM 0 HA LEU A 31 11.310 -4.590 -20.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.711 -6.019 -20.828 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.859 -6.523 -19.603 1.00 0.00 H new ATOM 0 HG LEU A 31 8.344 -4.814 -18.755 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.021 -3.236 -17.879 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.611 -4.915 -17.844 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.182 -3.797 -19.106 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.433 -2.506 -19.618 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.531 -3.039 -20.914 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.861 -3.652 -20.854 1.00 0.00 H new ATOM 490 N GLY A 32 11.763 -7.295 -22.431 1.00 0.00 N ATOM 491 CA GLY A 32 12.617 -8.460 -22.571 1.00 0.00 C ATOM 492 C GLY A 32 11.872 -9.758 -22.330 1.00 0.00 C ATOM 493 O GLY A 32 12.471 -10.833 -22.318 1.00 0.00 O ATOM 0 H GLY A 32 11.272 -7.019 -23.281 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.048 -8.473 -23.572 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.447 -8.385 -21.868 1.00 0.00 H new ATOM 497 N SER A 33 10.561 -9.658 -22.135 1.00 0.00 N ATOM 498 CA SER A 33 9.734 -10.833 -21.887 1.00 0.00 C ATOM 499 C SER A 33 9.629 -11.698 -23.140 1.00 0.00 C ATOM 500 O SER A 33 9.320 -11.205 -24.226 1.00 0.00 O ATOM 501 CB SER A 33 8.337 -10.412 -21.427 1.00 0.00 C ATOM 502 OG SER A 33 8.093 -10.824 -20.093 1.00 0.00 O ATOM 0 H SER A 33 10.049 -8.776 -22.144 1.00 0.00 H new ATOM 0 HA SER A 33 10.207 -11.420 -21.099 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.238 -9.329 -21.500 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.587 -10.846 -22.088 1.00 0.00 H new ATOM 0 HG SER A 33 7.170 -11.143 -20.013 1.00 0.00 H new ATOM 508 N THR A 34 9.890 -12.992 -22.982 1.00 0.00 N ATOM 509 CA THR A 34 9.827 -13.926 -24.098 1.00 0.00 C ATOM 510 C THR A 34 8.528 -14.724 -24.075 1.00 0.00 C ATOM 511 O THR A 34 8.462 -15.836 -24.599 1.00 0.00 O ATOM 512 CB THR A 34 11.017 -14.904 -24.080 1.00 0.00 C ATOM 513 OG1 THR A 34 11.024 -15.690 -25.278 1.00 0.00 O ATOM 514 CG2 THR A 34 10.946 -15.820 -22.868 1.00 0.00 C ATOM 0 H THR A 34 10.147 -13.417 -22.091 1.00 0.00 H new ATOM 0 HA THR A 34 9.869 -13.331 -25.010 1.00 0.00 H new ATOM 0 HB THR A 34 11.936 -14.321 -24.023 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.133 -16.072 -25.424 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.797 -16.502 -22.877 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.970 -15.221 -21.957 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.020 -16.395 -22.900 1.00 0.00 H new ATOM 522 N SER A 35 7.496 -14.149 -23.466 1.00 0.00 N ATOM 523 CA SER A 35 6.199 -14.808 -23.372 1.00 0.00 C ATOM 524 C SER A 35 5.075 -13.854 -23.764 1.00 0.00 C ATOM 525 O SER A 35 3.914 -14.070 -23.418 1.00 0.00 O ATOM 526 CB SER A 35 5.969 -15.329 -21.952 1.00 0.00 C ATOM 527 OG SER A 35 6.642 -16.559 -21.744 1.00 0.00 O ATOM 0 H SER A 35 7.533 -13.228 -23.030 1.00 0.00 H new ATOM 0 HA SER A 35 6.196 -15.649 -24.065 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.320 -14.592 -21.230 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.901 -15.461 -21.779 1.00 0.00 H new ATOM 0 HG SER A 35 6.480 -16.870 -20.829 1.00 0.00 H new ATOM 533 N ALA A 36 5.430 -12.798 -24.489 1.00 0.00 N ATOM 534 CA ALA A 36 4.452 -11.812 -24.931 1.00 0.00 C ATOM 535 C ALA A 36 3.294 -12.477 -25.666 1.00 0.00 C ATOM 536 O ALA A 36 2.183 -11.947 -25.704 1.00 0.00 O ATOM 537 CB ALA A 36 5.117 -10.772 -25.821 1.00 0.00 C ATOM 0 H ALA A 36 6.387 -12.604 -24.782 1.00 0.00 H new ATOM 0 HA ALA A 36 4.049 -11.316 -24.048 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.375 -10.042 -26.144 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.905 -10.266 -25.263 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.548 -11.262 -26.694 1.00 0.00 H new ATOM 543 N ASP A 37 3.560 -13.641 -26.249 1.00 0.00 N ATOM 544 CA ASP A 37 2.539 -14.380 -26.983 1.00 0.00 C ATOM 545 C ASP A 37 1.672 -15.200 -26.032 1.00 0.00 C ATOM 546 O ASP A 37 0.490 -15.421 -26.291 1.00 0.00 O ATOM 547 CB ASP A 37 3.189 -15.297 -28.019 1.00 0.00 C ATOM 548 CG ASP A 37 2.206 -16.284 -28.617 1.00 0.00 C ATOM 549 OD1 ASP A 37 1.100 -15.857 -29.010 1.00 0.00 O ATOM 550 OD2 ASP A 37 2.542 -17.484 -28.692 1.00 0.00 O ATOM 0 H ASP A 37 4.474 -14.093 -26.228 1.00 0.00 H new ATOM 0 HA ASP A 37 1.902 -13.659 -27.496 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.621 -14.691 -28.816 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.009 -15.843 -27.553 1.00 0.00 H new ATOM 555 N GLU A 38 2.269 -15.647 -24.932 1.00 0.00 N ATOM 556 CA GLU A 38 1.551 -16.444 -23.944 1.00 0.00 C ATOM 557 C GLU A 38 0.759 -15.549 -22.995 1.00 0.00 C ATOM 558 O GLU A 38 -0.286 -15.944 -22.479 1.00 0.00 O ATOM 559 CB GLU A 38 2.529 -17.312 -23.148 1.00 0.00 C ATOM 560 CG GLU A 38 1.848 -18.373 -22.300 1.00 0.00 C ATOM 561 CD GLU A 38 2.725 -19.590 -22.075 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.958 -19.471 -22.237 1.00 0.00 O ATOM 563 OE2 GLU A 38 2.179 -20.661 -21.737 1.00 0.00 O ATOM 0 H GLU A 38 3.247 -15.471 -24.702 1.00 0.00 H new ATOM 0 HA GLU A 38 0.852 -17.090 -24.474 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.217 -17.798 -23.840 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.128 -16.671 -22.501 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.575 -17.943 -21.336 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.922 -18.682 -22.785 1.00 0.00 H new ATOM 570 N VAL A 39 1.266 -14.342 -22.768 1.00 0.00 N ATOM 571 CA VAL A 39 0.607 -13.390 -21.882 1.00 0.00 C ATOM 572 C VAL A 39 -0.647 -12.814 -22.529 1.00 0.00 C ATOM 573 O VAL A 39 -1.630 -12.523 -21.849 1.00 0.00 O ATOM 574 CB VAL A 39 1.551 -12.235 -21.498 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.885 -11.390 -22.718 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.929 -11.382 -20.402 1.00 0.00 C ATOM 0 H VAL A 39 2.131 -14.000 -23.186 1.00 0.00 H new ATOM 0 HA VAL A 39 0.328 -13.936 -20.981 1.00 0.00 H new ATOM 0 HB VAL A 39 2.479 -12.659 -21.115 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.553 -10.579 -22.427 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.374 -12.011 -23.468 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.968 -10.973 -23.134 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.609 -10.571 -20.142 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.014 -10.966 -20.756 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.746 -11.998 -19.521 1.00 0.00 H new ATOM 586 N GLN A 40 -0.604 -12.651 -23.848 1.00 0.00 N ATOM 587 CA GLN A 40 -1.738 -12.109 -24.587 1.00 0.00 C ATOM 588 C GLN A 40 -2.991 -12.947 -24.354 1.00 0.00 C ATOM 589 O GLN A 40 -4.080 -12.410 -24.153 1.00 0.00 O ATOM 590 CB GLN A 40 -1.419 -12.052 -26.082 1.00 0.00 C ATOM 591 CG GLN A 40 -2.646 -12.170 -26.971 1.00 0.00 C ATOM 592 CD GLN A 40 -2.307 -12.100 -28.447 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.241 -12.787 -28.843 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.994 -11.436 -29.223 1.00 0.00 N flip ATOM 0 H GLN A 40 0.203 -12.886 -24.426 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.926 -11.099 -24.224 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.911 -11.113 -26.301 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.724 -12.855 -26.328 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.151 -13.113 -26.763 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.346 -11.372 -26.725 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.805 -10.923 -28.876 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.753 -11.398 -30.213 1.00 0.00 H new ATOM 603 N ARG A 41 -2.828 -14.266 -24.384 1.00 0.00 N ATOM 604 CA ARG A 41 -3.947 -15.178 -24.178 1.00 0.00 C ATOM 605 C ARG A 41 -4.312 -15.265 -22.699 1.00 0.00 C ATOM 606 O ARG A 41 -5.425 -15.656 -22.346 1.00 0.00 O ATOM 607 CB ARG A 41 -3.602 -16.570 -24.711 1.00 0.00 C ATOM 608 CG ARG A 41 -2.319 -17.143 -24.132 1.00 0.00 C ATOM 609 CD ARG A 41 -2.000 -18.507 -24.725 1.00 0.00 C ATOM 610 NE ARG A 41 -2.807 -19.567 -24.125 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.757 -20.836 -24.511 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.942 -21.203 -25.491 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.521 -21.743 -23.917 1.00 0.00 N ATOM 0 H ARG A 41 -1.933 -14.726 -24.549 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.806 -14.789 -24.725 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.425 -17.249 -24.490 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.511 -16.522 -25.796 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.493 -16.458 -24.326 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.414 -17.229 -23.050 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.174 -18.484 -25.801 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.943 -18.728 -24.577 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.444 -19.318 -23.368 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.352 -20.509 -25.950 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.906 -22.179 -25.786 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.148 -21.466 -23.162 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.481 -22.718 -24.215 1.00 0.00 H new ATOM 627 N MET A 42 -3.368 -14.897 -21.839 1.00 0.00 N ATOM 628 CA MET A 42 -3.592 -14.932 -20.398 1.00 0.00 C ATOM 629 C MET A 42 -4.387 -13.713 -19.941 1.00 0.00 C ATOM 630 O MET A 42 -5.398 -13.843 -19.251 1.00 0.00 O ATOM 631 CB MET A 42 -2.256 -14.992 -19.654 1.00 0.00 C ATOM 632 CG MET A 42 -1.506 -16.299 -19.856 1.00 0.00 C ATOM 633 SD MET A 42 -2.044 -17.591 -18.721 1.00 0.00 S ATOM 634 CE MET A 42 -2.745 -18.778 -19.865 1.00 0.00 C ATOM 0 H MET A 42 -2.441 -14.571 -22.114 1.00 0.00 H new ATOM 0 HA MET A 42 -4.169 -15.827 -20.167 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.627 -14.166 -19.987 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.436 -14.847 -18.589 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.648 -16.640 -20.882 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.438 -16.125 -19.722 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.122 -19.638 -19.311 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.563 -18.313 -20.415 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.977 -19.106 -20.565 1.00 0.00 H new ATOM 644 N MET A 43 -3.924 -12.530 -20.331 1.00 0.00 N ATOM 645 CA MET A 43 -4.594 -11.288 -19.961 1.00 0.00 C ATOM 646 C MET A 43 -6.056 -11.310 -20.393 1.00 0.00 C ATOM 647 O MET A 43 -6.892 -10.608 -19.824 1.00 0.00 O ATOM 648 CB MET A 43 -3.881 -10.092 -20.594 1.00 0.00 C ATOM 649 CG MET A 43 -3.660 -10.237 -22.091 1.00 0.00 C ATOM 650 SD MET A 43 -5.059 -9.642 -23.060 1.00 0.00 S ATOM 651 CE MET A 43 -4.237 -9.145 -24.572 1.00 0.00 C ATOM 0 H MET A 43 -3.088 -12.405 -20.903 1.00 0.00 H new ATOM 0 HA MET A 43 -4.556 -11.192 -18.876 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.465 -9.191 -20.407 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.917 -9.954 -20.105 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.764 -9.686 -22.377 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.479 -11.285 -22.328 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.961 -8.688 -25.247 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.453 -8.424 -24.340 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.796 -10.019 -25.051 1.00 0.00 H new ATOM 661 N ALA A 44 -6.359 -12.120 -21.402 1.00 0.00 N ATOM 662 CA ALA A 44 -7.721 -12.234 -21.909 1.00 0.00 C ATOM 663 C ALA A 44 -8.620 -12.952 -20.909 1.00 0.00 C ATOM 664 O ALA A 44 -9.843 -12.825 -20.958 1.00 0.00 O ATOM 665 CB ALA A 44 -7.728 -12.962 -23.245 1.00 0.00 C ATOM 0 H ALA A 44 -5.679 -12.707 -21.885 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.114 -11.228 -22.054 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.752 -13.040 -23.612 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.126 -12.407 -23.965 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.311 -13.961 -23.117 1.00 0.00 H new ATOM 671 N GLU A 45 -8.006 -13.707 -20.003 1.00 0.00 N ATOM 672 CA GLU A 45 -8.753 -14.446 -18.992 1.00 0.00 C ATOM 673 C GLU A 45 -9.319 -13.502 -17.935 1.00 0.00 C ATOM 674 O GLU A 45 -10.483 -13.612 -17.549 1.00 0.00 O ATOM 675 CB GLU A 45 -7.857 -15.494 -18.328 1.00 0.00 C ATOM 676 CG GLU A 45 -7.428 -16.610 -19.267 1.00 0.00 C ATOM 677 CD GLU A 45 -8.393 -17.779 -19.262 1.00 0.00 C ATOM 678 OE1 GLU A 45 -8.223 -18.685 -18.418 1.00 0.00 O ATOM 679 OE2 GLU A 45 -9.318 -17.790 -20.101 1.00 0.00 O ATOM 0 H GLU A 45 -6.994 -13.823 -19.949 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.583 -14.949 -19.487 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.969 -15.002 -17.932 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.386 -15.928 -17.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.346 -16.216 -20.280 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.437 -16.961 -18.980 1.00 0.00 H new ATOM 686 N ILE A 46 -8.487 -12.576 -17.470 1.00 0.00 N ATOM 687 CA ILE A 46 -8.903 -11.613 -16.459 1.00 0.00 C ATOM 688 C ILE A 46 -9.934 -10.639 -17.019 1.00 0.00 C ATOM 689 O ILE A 46 -10.836 -10.197 -16.309 1.00 0.00 O ATOM 690 CB ILE A 46 -7.704 -10.817 -15.912 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.894 -10.217 -17.063 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.826 -11.709 -15.048 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.817 -9.257 -16.609 1.00 0.00 C ATOM 0 H ILE A 46 -7.520 -12.473 -17.778 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.351 -12.183 -15.645 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.080 -10.002 -15.294 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.433 -11.025 -17.632 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.571 -9.696 -17.740 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.983 -11.132 -14.669 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.409 -12.092 -14.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.456 -12.543 -15.644 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.284 -8.871 -17.478 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.273 -8.429 -16.066 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.117 -9.778 -15.956 1.00 0.00 H new ATOM 705 N ASP A 47 -9.793 -10.309 -18.299 1.00 0.00 N ATOM 706 CA ASP A 47 -10.713 -9.387 -18.956 1.00 0.00 C ATOM 707 C ASP A 47 -12.103 -10.002 -19.081 1.00 0.00 C ATOM 708 O ASP A 47 -12.345 -10.850 -19.941 1.00 0.00 O ATOM 709 CB ASP A 47 -10.185 -9.007 -20.341 1.00 0.00 C ATOM 710 CG ASP A 47 -10.828 -7.745 -20.877 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.556 -7.039 -20.020 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.672 -7.407 -22.051 1.00 0.00 O ATOM 0 H ASP A 47 -9.051 -10.666 -18.901 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.786 -8.489 -18.343 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.105 -8.868 -20.290 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.368 -9.828 -21.035 1.00 0.00 H new ATOM 717 N THR A 48 -13.016 -9.570 -18.216 1.00 0.00 N ATOM 718 CA THR A 48 -14.382 -10.078 -18.228 1.00 0.00 C ATOM 719 C THR A 48 -15.257 -9.280 -19.188 1.00 0.00 C ATOM 720 O THR A 48 -16.340 -9.722 -19.569 1.00 0.00 O ATOM 721 CB THR A 48 -15.010 -10.035 -16.822 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.221 -10.799 -16.803 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.302 -8.602 -16.404 1.00 0.00 C ATOM 0 H THR A 48 -12.833 -8.869 -17.498 1.00 0.00 H new ATOM 0 HA THR A 48 -14.331 -11.114 -18.563 1.00 0.00 H new ATOM 0 HB THR A 48 -14.299 -10.465 -16.117 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.606 -10.824 -17.704 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.745 -8.597 -15.408 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.374 -8.030 -16.391 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.997 -8.151 -17.112 1.00 0.00 H new ATOM 731 N ASP A 49 -14.779 -8.102 -19.576 1.00 0.00 N ATOM 732 CA ASP A 49 -15.518 -7.243 -20.493 1.00 0.00 C ATOM 733 C ASP A 49 -14.892 -7.267 -21.884 1.00 0.00 C ATOM 734 O ASP A 49 -15.361 -6.593 -22.800 1.00 0.00 O ATOM 735 CB ASP A 49 -15.556 -5.808 -19.963 1.00 0.00 C ATOM 736 CG ASP A 49 -14.880 -5.672 -18.613 1.00 0.00 C ATOM 737 OD1 ASP A 49 -13.650 -5.455 -18.585 1.00 0.00 O ATOM 738 OD2 ASP A 49 -15.580 -5.781 -17.585 1.00 0.00 O ATOM 0 H ASP A 49 -13.884 -7.721 -19.270 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.537 -7.623 -20.566 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.068 -5.146 -20.679 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.593 -5.481 -19.882 1.00 0.00 H new ATOM 743 N GLY A 50 -13.827 -8.049 -22.035 1.00 0.00 N ATOM 744 CA GLY A 50 -13.153 -8.146 -23.316 1.00 0.00 C ATOM 745 C GLY A 50 -12.880 -6.788 -23.932 1.00 0.00 C ATOM 746 O GLY A 50 -12.927 -6.632 -25.152 1.00 0.00 O ATOM 0 H GLY A 50 -13.419 -8.617 -21.292 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.211 -8.679 -23.188 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.763 -8.736 -24.000 1.00 0.00 H new ATOM 750 N ASP A 51 -12.595 -5.804 -23.087 1.00 0.00 N ATOM 751 CA ASP A 51 -12.314 -4.452 -23.555 1.00 0.00 C ATOM 752 C ASP A 51 -10.816 -4.164 -23.518 1.00 0.00 C ATOM 753 O ASP A 51 -10.037 -4.944 -22.972 1.00 0.00 O ATOM 754 CB ASP A 51 -13.063 -3.428 -22.701 1.00 0.00 C ATOM 755 CG ASP A 51 -12.424 -3.230 -21.340 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.181 -4.240 -20.646 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.166 -2.066 -20.969 1.00 0.00 O ATOM 0 H ASP A 51 -12.552 -5.917 -22.074 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.656 -4.373 -24.587 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.094 -2.474 -23.227 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.095 -3.753 -22.571 1.00 0.00 H new ATOM 762 N GLY A 52 -10.420 -3.039 -24.106 1.00 0.00 N ATOM 763 CA GLY A 52 -9.017 -2.670 -24.131 1.00 0.00 C ATOM 764 C GLY A 52 -8.575 -1.983 -22.854 1.00 0.00 C ATOM 765 O GLY A 52 -7.820 -1.011 -22.893 1.00 0.00 O ATOM 0 H GLY A 52 -11.046 -2.377 -24.565 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.412 -3.563 -24.287 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.833 -2.009 -24.978 1.00 0.00 H new ATOM 769 N PHE A 53 -9.048 -2.486 -21.719 1.00 0.00 N ATOM 770 CA PHE A 53 -8.700 -1.913 -20.425 1.00 0.00 C ATOM 771 C PHE A 53 -9.028 -2.884 -19.294 1.00 0.00 C ATOM 772 O PHE A 53 -9.949 -3.693 -19.404 1.00 0.00 O ATOM 773 CB PHE A 53 -9.444 -0.593 -20.211 1.00 0.00 C ATOM 774 CG PHE A 53 -8.741 0.594 -20.803 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.566 1.070 -20.245 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.256 1.235 -21.919 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.917 2.163 -20.787 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.611 2.329 -22.466 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.440 2.792 -21.900 1.00 0.00 C ATOM 0 H PHE A 53 -9.674 -3.290 -21.669 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.627 -1.723 -20.417 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.439 -0.671 -20.649 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.578 -0.430 -19.142 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.152 0.581 -19.376 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.171 0.876 -22.366 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.002 2.525 -20.341 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.023 2.821 -23.335 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.933 3.645 -22.327 1.00 0.00 H new ATOM 789 N ILE A 54 -8.267 -2.796 -18.208 1.00 0.00 N ATOM 790 CA ILE A 54 -8.476 -3.666 -17.057 1.00 0.00 C ATOM 791 C ILE A 54 -8.269 -2.908 -15.751 1.00 0.00 C ATOM 792 O ILE A 54 -7.315 -2.142 -15.610 1.00 0.00 O ATOM 793 CB ILE A 54 -7.528 -4.880 -17.089 1.00 0.00 C ATOM 794 CG1 ILE A 54 -6.087 -4.423 -17.324 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.961 -5.861 -18.168 1.00 0.00 C ATOM 796 CD1 ILE A 54 -5.055 -5.461 -16.941 1.00 0.00 C ATOM 0 H ILE A 54 -7.501 -2.131 -18.101 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.506 -4.018 -17.111 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.576 -5.386 -16.125 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.962 -4.169 -18.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.905 -3.513 -16.752 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.282 -6.713 -18.179 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.974 -6.207 -17.960 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.938 -5.367 -19.139 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.056 -5.070 -17.134 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.153 -5.698 -15.882 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.211 -6.364 -17.531 1.00 0.00 H new ATOM 808 N ASP A 55 -9.167 -3.128 -14.797 1.00 0.00 N ATOM 809 CA ASP A 55 -9.082 -2.468 -13.499 1.00 0.00 C ATOM 810 C ASP A 55 -8.165 -3.240 -12.556 1.00 0.00 C ATOM 811 O ASP A 55 -7.527 -4.215 -12.953 1.00 0.00 O ATOM 812 CB ASP A 55 -10.474 -2.332 -12.880 1.00 0.00 C ATOM 813 CG ASP A 55 -11.538 -2.011 -13.912 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.894 -2.914 -14.698 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.015 -0.857 -13.932 1.00 0.00 O ATOM 0 H ASP A 55 -9.962 -3.758 -14.898 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.662 -1.474 -13.651 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.734 -3.260 -12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.457 -1.547 -12.124 1.00 0.00 H new ATOM 820 N PHE A 56 -8.103 -2.796 -11.305 1.00 0.00 N ATOM 821 CA PHE A 56 -7.262 -3.444 -10.305 1.00 0.00 C ATOM 822 C PHE A 56 -7.677 -4.899 -10.106 1.00 0.00 C ATOM 823 O PHE A 56 -6.834 -5.793 -10.047 1.00 0.00 O ATOM 824 CB PHE A 56 -7.344 -2.693 -8.975 1.00 0.00 C ATOM 825 CG PHE A 56 -6.121 -2.856 -8.118 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.857 -2.651 -8.646 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.236 -3.215 -6.785 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.729 -2.800 -7.860 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.112 -3.366 -5.994 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.858 -3.159 -6.533 1.00 0.00 C ATOM 0 H PHE A 56 -8.625 -1.991 -10.960 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.233 -3.423 -10.664 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.499 -1.633 -9.175 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.215 -3.044 -8.422 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.751 -2.371 -9.684 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.215 -3.379 -6.359 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.749 -2.636 -8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.215 -3.646 -4.956 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.979 -3.278 -5.917 1.00 0.00 H new ATOM 840 N ASN A 57 -8.983 -5.127 -10.003 1.00 0.00 N ATOM 841 CA ASN A 57 -9.510 -6.473 -9.809 1.00 0.00 C ATOM 842 C ASN A 57 -9.152 -7.373 -10.988 1.00 0.00 C ATOM 843 O ASN A 57 -8.807 -8.540 -10.807 1.00 0.00 O ATOM 844 CB ASN A 57 -11.029 -6.427 -9.631 1.00 0.00 C ATOM 845 CG ASN A 57 -11.481 -7.088 -8.343 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.460 -7.834 -8.325 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.768 -6.815 -7.257 1.00 0.00 N ATOM 0 H ASN A 57 -9.695 -4.398 -10.051 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.057 -6.887 -8.908 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.362 -5.389 -9.640 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.506 -6.922 -10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.024 -7.230 -6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.964 -6.191 -7.319 1.00 0.00 H new ATOM 854 N GLU A 58 -9.236 -6.820 -12.194 1.00 0.00 N ATOM 855 CA GLU A 58 -8.921 -7.573 -13.402 1.00 0.00 C ATOM 856 C GLU A 58 -7.423 -7.849 -13.496 1.00 0.00 C ATOM 857 O GLU A 58 -7.000 -8.995 -13.653 1.00 0.00 O ATOM 858 CB GLU A 58 -9.388 -6.809 -14.643 1.00 0.00 C ATOM 859 CG GLU A 58 -10.894 -6.837 -14.843 1.00 0.00 C ATOM 860 CD GLU A 58 -11.316 -6.256 -16.179 1.00 0.00 C ATOM 861 OE1 GLU A 58 -11.234 -5.020 -16.341 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.727 -7.037 -17.062 1.00 0.00 O ATOM 0 H GLU A 58 -9.519 -5.854 -12.360 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.447 -8.526 -13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.059 -5.773 -14.567 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.905 -7.233 -15.523 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.247 -7.866 -14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.374 -6.278 -14.040 1.00 0.00 H new ATOM 869 N PHE A 59 -6.625 -6.791 -13.398 1.00 0.00 N ATOM 870 CA PHE A 59 -5.174 -6.918 -13.474 1.00 0.00 C ATOM 871 C PHE A 59 -4.648 -7.816 -12.357 1.00 0.00 C ATOM 872 O PHE A 59 -3.688 -8.563 -12.548 1.00 0.00 O ATOM 873 CB PHE A 59 -4.515 -5.540 -13.388 1.00 0.00 C ATOM 874 CG PHE A 59 -3.029 -5.572 -13.599 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.492 -6.094 -14.765 1.00 0.00 C ATOM 876 CD2 PHE A 59 -2.168 -5.081 -12.631 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.124 -6.125 -14.962 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.799 -5.108 -12.823 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.277 -5.633 -13.989 1.00 0.00 C ATOM 0 H PHE A 59 -6.958 -5.836 -13.266 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.924 -7.374 -14.432 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.966 -4.884 -14.133 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.726 -5.106 -12.411 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.150 -6.481 -15.529 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.571 -4.672 -11.716 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.718 -6.534 -15.876 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.139 -4.719 -12.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.792 -5.659 -14.139 1.00 0.00 H new ATOM 889 N ILE A 60 -5.284 -7.735 -11.193 1.00 0.00 N ATOM 890 CA ILE A 60 -4.881 -8.540 -10.046 1.00 0.00 C ATOM 891 C ILE A 60 -5.156 -10.020 -10.289 1.00 0.00 C ATOM 892 O ILE A 60 -4.303 -10.870 -10.035 1.00 0.00 O ATOM 893 CB ILE A 60 -5.610 -8.098 -8.764 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.923 -6.873 -8.157 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.654 -9.239 -7.759 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.655 -7.204 -7.400 1.00 0.00 C ATOM 0 H ILE A 60 -6.080 -7.121 -11.019 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.809 -8.389 -9.915 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.634 -7.827 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.687 -6.167 -8.953 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.619 -6.373 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.173 -8.911 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.184 -10.087 -8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.637 -9.538 -7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.222 -6.288 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.887 -7.886 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.941 -7.677 -8.075 1.00 0.00 H new ATOM 908 N SER A 61 -6.352 -10.320 -10.785 1.00 0.00 N ATOM 909 CA SER A 61 -6.741 -11.698 -11.062 1.00 0.00 C ATOM 910 C SER A 61 -5.639 -12.432 -11.821 1.00 0.00 C ATOM 911 O SER A 61 -5.496 -13.649 -11.708 1.00 0.00 O ATOM 912 CB SER A 61 -8.041 -11.732 -11.868 1.00 0.00 C ATOM 913 OG SER A 61 -9.170 -11.640 -11.017 1.00 0.00 O ATOM 0 H SER A 61 -7.068 -9.628 -11.003 1.00 0.00 H new ATOM 0 HA SER A 61 -6.900 -12.203 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.052 -10.909 -12.582 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.091 -12.655 -12.445 1.00 0.00 H new ATOM 0 HG SER A 61 -9.323 -10.702 -10.777 1.00 0.00 H new ATOM 919 N PHE A 62 -4.863 -11.681 -12.596 1.00 0.00 N ATOM 920 CA PHE A 62 -3.775 -12.259 -13.376 1.00 0.00 C ATOM 921 C PHE A 62 -2.711 -12.861 -12.463 1.00 0.00 C ATOM 922 O PHE A 62 -2.239 -13.975 -12.691 1.00 0.00 O ATOM 923 CB PHE A 62 -3.146 -11.195 -14.279 1.00 0.00 C ATOM 924 CG PHE A 62 -2.442 -11.766 -15.477 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.481 -12.752 -15.328 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.743 -11.316 -16.753 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.832 -13.278 -16.429 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.098 -11.839 -17.858 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.141 -12.822 -17.695 1.00 0.00 C ATOM 0 H PHE A 62 -4.967 -10.672 -12.700 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.188 -13.054 -13.996 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.924 -10.510 -14.617 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.436 -10.608 -13.696 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.236 -13.114 -14.340 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.490 -10.548 -16.885 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.083 -14.046 -16.299 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.342 -11.480 -18.847 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.636 -13.233 -18.556 1.00 0.00 H new ATOM 939 N CYS A 63 -2.337 -12.115 -11.429 1.00 0.00 N ATOM 940 CA CYS A 63 -1.328 -12.574 -10.480 1.00 0.00 C ATOM 941 C CYS A 63 -1.901 -13.634 -9.546 1.00 0.00 C ATOM 942 O CYS A 63 -1.269 -14.658 -9.291 1.00 0.00 O ATOM 943 CB CYS A 63 -0.791 -11.396 -9.666 1.00 0.00 C ATOM 944 SG CYS A 63 0.407 -11.862 -8.395 1.00 0.00 S ATOM 0 H CYS A 63 -2.717 -11.190 -11.226 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.509 -13.019 -11.045 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.325 -10.682 -10.345 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.628 -10.885 -9.191 1.00 0.00 H new ATOM 0 HG CYS A 63 1.174 -10.847 -8.128 1.00 0.00 H new ATOM 950 N ASN A 64 -3.103 -13.380 -9.038 1.00 0.00 N ATOM 951 CA ASN A 64 -3.761 -14.313 -8.130 1.00 0.00 C ATOM 952 C ASN A 64 -3.910 -15.687 -8.775 1.00 0.00 C ATOM 953 O ASN A 64 -4.013 -16.700 -8.084 1.00 0.00 O ATOM 954 CB ASN A 64 -5.135 -13.777 -7.723 1.00 0.00 C ATOM 955 CG ASN A 64 -5.157 -13.267 -6.294 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.631 -13.951 -5.387 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.642 -12.060 -6.089 1.00 0.00 N ATOM 0 H ASN A 64 -3.641 -12.537 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.139 -14.415 -7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.422 -12.971 -8.398 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.878 -14.567 -7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.628 -11.664 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.260 -11.529 -6.872 1.00 0.00 H new ATOM 964 N ALA A 65 -3.920 -15.713 -10.104 1.00 0.00 N ATOM 965 CA ALA A 65 -4.053 -16.963 -10.842 1.00 0.00 C ATOM 966 C ALA A 65 -2.712 -17.680 -10.954 1.00 0.00 C ATOM 967 O ALA A 65 -2.660 -18.881 -11.214 1.00 0.00 O ATOM 968 CB ALA A 65 -4.630 -16.699 -12.225 1.00 0.00 C ATOM 0 H ALA A 65 -3.838 -14.883 -10.691 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.736 -17.611 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.724 -17.641 -12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.612 -16.237 -12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.967 -16.030 -12.774 1.00 0.00 H new ATOM 974 N ASN A 66 -1.629 -16.935 -10.757 1.00 0.00 N ATOM 975 CA ASN A 66 -0.287 -17.500 -10.837 1.00 0.00 C ATOM 976 C ASN A 66 -0.126 -18.342 -12.100 1.00 0.00 C ATOM 977 O ASN A 66 0.237 -19.517 -12.050 1.00 0.00 O ATOM 978 CB ASN A 66 0.004 -18.354 -9.601 1.00 0.00 C ATOM 979 CG ASN A 66 0.254 -17.514 -8.364 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.397 -17.191 -8.040 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.817 -17.155 -7.666 1.00 0.00 N ATOM 0 H ASN A 66 -1.655 -15.939 -10.541 1.00 0.00 H new ATOM 0 HA ASN A 66 0.426 -16.676 -10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.837 -19.023 -9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.874 -18.981 -9.793 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.711 -16.589 -6.824 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.746 -17.445 -7.972 1.00 0.00 H new ATOM 988 N PRO A 67 -0.401 -17.727 -13.260 1.00 0.00 N ATOM 989 CA PRO A 67 -0.293 -18.400 -14.557 1.00 0.00 C ATOM 990 C PRO A 67 1.154 -18.689 -14.941 1.00 0.00 C ATOM 991 O PRO A 67 1.431 -19.610 -15.708 1.00 0.00 O ATOM 992 CB PRO A 67 -0.914 -17.395 -15.531 1.00 0.00 C ATOM 993 CG PRO A 67 -0.738 -16.070 -14.872 1.00 0.00 C ATOM 994 CD PRO A 67 -0.839 -16.327 -13.393 1.00 0.00 C ATOM 0 HA PRO A 67 -0.786 -19.372 -14.554 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.417 -17.424 -16.500 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.967 -17.613 -15.707 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.227 -15.632 -15.127 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.504 -15.367 -15.199 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.202 -15.651 -12.823 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.857 -16.188 -13.029 1.00 0.00 H new ATOM 1002 N GLY A 68 2.075 -17.896 -14.402 1.00 0.00 N ATOM 1003 CA GLY A 68 3.483 -18.084 -14.700 1.00 0.00 C ATOM 1004 C GLY A 68 4.036 -16.995 -15.598 1.00 0.00 C ATOM 1005 O GLY A 68 5.157 -17.100 -16.096 1.00 0.00 O ATOM 0 H GLY A 68 1.871 -17.127 -13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.049 -18.105 -13.769 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.623 -19.053 -15.180 1.00 0.00 H new ATOM 1009 N LEU A 69 3.247 -15.946 -15.808 1.00 0.00 N ATOM 1010 CA LEU A 69 3.664 -14.833 -16.654 1.00 0.00 C ATOM 1011 C LEU A 69 4.135 -13.654 -15.809 1.00 0.00 C ATOM 1012 O LEU A 69 5.283 -13.222 -15.914 1.00 0.00 O ATOM 1013 CB LEU A 69 2.512 -14.398 -17.561 1.00 0.00 C ATOM 1014 CG LEU A 69 2.037 -15.429 -18.585 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.175 -15.823 -19.513 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.469 -16.654 -17.883 1.00 0.00 C ATOM 0 H LEU A 69 2.316 -15.843 -15.404 1.00 0.00 H new ATOM 0 HA LEU A 69 4.497 -15.169 -17.271 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.665 -14.123 -16.932 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.817 -13.498 -18.096 1.00 0.00 H new ATOM 0 HG LEU A 69 1.246 -14.980 -19.185 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.818 -16.558 -20.235 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.536 -14.941 -20.041 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.988 -16.254 -18.929 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.136 -17.378 -18.627 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.240 -17.105 -17.258 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.624 -16.358 -17.261 1.00 0.00 H new ATOM 1028 N MET A 70 3.242 -13.139 -14.970 1.00 0.00 N ATOM 1029 CA MET A 70 3.568 -12.012 -14.105 1.00 0.00 C ATOM 1030 C MET A 70 4.710 -12.366 -13.158 1.00 0.00 C ATOM 1031 O MET A 70 5.402 -11.485 -12.646 1.00 0.00 O ATOM 1032 CB MET A 70 2.338 -11.585 -13.302 1.00 0.00 C ATOM 1033 CG MET A 70 1.111 -11.326 -14.161 1.00 0.00 C ATOM 1034 SD MET A 70 0.702 -9.574 -14.277 1.00 0.00 S ATOM 1035 CE MET A 70 1.892 -9.028 -15.499 1.00 0.00 C ATOM 0 H MET A 70 2.287 -13.484 -14.871 1.00 0.00 H new ATOM 0 HA MET A 70 3.887 -11.182 -14.736 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.104 -12.360 -12.572 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.576 -10.681 -12.741 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.283 -11.722 -15.162 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.261 -11.867 -13.746 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.593 -8.055 -15.888 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.876 -8.948 -15.038 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.932 -9.749 -16.316 1.00 0.00 H new ATOM 1045 N LYS A 71 4.903 -13.660 -12.928 1.00 0.00 N ATOM 1046 CA LYS A 71 5.962 -14.132 -12.044 1.00 0.00 C ATOM 1047 C LYS A 71 7.300 -13.501 -12.412 1.00 0.00 C ATOM 1048 O LYS A 71 8.038 -13.036 -11.544 1.00 0.00 O ATOM 1049 CB LYS A 71 6.069 -15.657 -12.111 1.00 0.00 C ATOM 1050 CG LYS A 71 4.870 -16.378 -11.520 1.00 0.00 C ATOM 1051 CD LYS A 71 5.282 -17.655 -10.807 1.00 0.00 C ATOM 1052 CE LYS A 71 5.776 -18.707 -11.788 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.746 -19.643 -11.156 1.00 0.00 N ATOM 0 H LYS A 71 4.339 -14.402 -13.342 1.00 0.00 H new ATOM 0 HA LYS A 71 5.709 -13.836 -11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.187 -15.959 -13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.969 -15.973 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.357 -15.719 -10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.160 -16.616 -12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.067 -17.432 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.435 -18.049 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.927 -19.271 -12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.247 -18.216 -12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.059 -20.344 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.569 -19.109 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.289 -20.130 -10.359 1.00 0.00 H new ATOM 1067 N ASP A 72 7.606 -13.486 -13.705 1.00 0.00 N ATOM 1068 CA ASP A 72 8.855 -12.909 -14.189 1.00 0.00 C ATOM 1069 C ASP A 72 8.716 -11.403 -14.389 1.00 0.00 C ATOM 1070 O ASP A 72 9.700 -10.665 -14.330 1.00 0.00 O ATOM 1071 CB ASP A 72 9.275 -13.574 -15.501 1.00 0.00 C ATOM 1072 CG ASP A 72 9.784 -14.988 -15.296 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.967 -15.870 -14.959 1.00 0.00 O ATOM 1074 OD2 ASP A 72 10.999 -15.212 -15.475 1.00 0.00 O ATOM 0 H ASP A 72 7.006 -13.867 -14.437 1.00 0.00 H new ATOM 0 HA ASP A 72 9.624 -13.088 -13.438 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.426 -13.592 -16.184 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.053 -12.976 -15.975 1.00 0.00 H new ATOM 1079 N VAL A 73 7.488 -10.954 -14.628 1.00 0.00 N ATOM 1080 CA VAL A 73 7.220 -9.536 -14.837 1.00 0.00 C ATOM 1081 C VAL A 73 7.374 -8.750 -13.540 1.00 0.00 C ATOM 1082 O VAL A 73 8.237 -7.879 -13.428 1.00 0.00 O ATOM 1083 CB VAL A 73 5.804 -9.309 -15.397 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.574 -7.834 -15.686 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.585 -10.147 -16.648 1.00 0.00 C ATOM 0 H VAL A 73 6.663 -11.552 -14.682 1.00 0.00 H new ATOM 0 HA VAL A 73 7.951 -9.180 -15.563 1.00 0.00 H new ATOM 0 HB VAL A 73 5.080 -9.624 -14.645 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.568 -7.693 -16.081 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.686 -7.261 -14.765 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.303 -7.489 -16.419 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.579 -9.974 -17.030 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.315 -9.865 -17.407 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.704 -11.203 -16.404 1.00 0.00 H new ATOM 1095 N ALA A 74 6.533 -9.065 -12.560 1.00 0.00 N ATOM 1096 CA ALA A 74 6.576 -8.390 -11.269 1.00 0.00 C ATOM 1097 C ALA A 74 7.986 -8.407 -10.689 1.00 0.00 C ATOM 1098 O ALA A 74 8.361 -7.525 -9.915 1.00 0.00 O ATOM 1099 CB ALA A 74 5.597 -9.038 -10.301 1.00 0.00 C ATOM 0 H ALA A 74 5.813 -9.784 -12.636 1.00 0.00 H new ATOM 0 HA ALA A 74 6.285 -7.350 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.640 -8.523 -9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.587 -8.969 -10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.862 -10.086 -10.163 1.00 0.00 H new ATOM 1105 N LYS A 75 8.765 -9.416 -11.066 1.00 0.00 N ATOM 1106 CA LYS A 75 10.134 -9.548 -10.584 1.00 0.00 C ATOM 1107 C LYS A 75 10.965 -8.326 -10.963 1.00 0.00 C ATOM 1108 O LYS A 75 11.881 -7.937 -10.238 1.00 0.00 O ATOM 1109 CB LYS A 75 10.778 -10.813 -11.155 1.00 0.00 C ATOM 1110 CG LYS A 75 11.801 -10.537 -12.243 1.00 0.00 C ATOM 1111 CD LYS A 75 12.229 -11.815 -12.944 1.00 0.00 C ATOM 1112 CE LYS A 75 12.722 -12.857 -11.951 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.013 -13.463 -12.378 1.00 0.00 N ATOM 0 H LYS A 75 8.470 -10.155 -11.705 1.00 0.00 H new ATOM 0 HA LYS A 75 10.104 -9.622 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.260 -11.362 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.997 -11.458 -11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.380 -9.845 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.674 -10.050 -11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.390 -12.219 -13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.019 -11.591 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.844 -12.396 -10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.971 -13.640 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.315 -14.168 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.891 -13.925 -13.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.736 -12.720 -12.456 1.00 0.00 H new ATOM 1127 N VAL A 76 10.638 -7.725 -12.102 1.00 0.00 N ATOM 1128 CA VAL A 76 11.353 -6.545 -12.576 1.00 0.00 C ATOM 1129 C VAL A 76 10.491 -5.294 -12.453 1.00 0.00 C ATOM 1130 O VAL A 76 10.698 -4.311 -13.165 1.00 0.00 O ATOM 1131 CB VAL A 76 11.795 -6.708 -14.042 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.979 -7.658 -14.141 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.635 -7.198 -14.897 1.00 0.00 C ATOM 0 H VAL A 76 9.883 -8.035 -12.714 1.00 0.00 H new ATOM 0 HA VAL A 76 12.237 -6.437 -11.948 1.00 0.00 H new ATOM 0 HB VAL A 76 12.109 -5.734 -14.419 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.277 -7.761 -15.184 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.813 -7.261 -13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.696 -8.634 -13.747 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.965 -7.308 -15.930 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.289 -8.161 -14.523 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.819 -6.476 -14.852 1.00 0.00 H new ATOM 1143 N PHE A 77 9.522 -5.337 -11.544 1.00 0.00 N ATOM 1144 CA PHE A 77 8.627 -4.206 -11.327 1.00 0.00 C ATOM 1145 C PHE A 77 9.380 -3.025 -10.722 1.00 0.00 C ATOM 1146 O PHE A 77 10.595 -3.080 -10.536 1.00 0.00 O ATOM 1147 CB PHE A 77 7.471 -4.612 -10.410 1.00 0.00 C ATOM 1148 CG PHE A 77 7.813 -4.544 -8.949 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.992 -5.092 -8.473 1.00 0.00 C ATOM 1150 CD2 PHE A 77 6.953 -3.931 -8.051 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.310 -5.031 -7.129 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.265 -3.866 -6.707 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.445 -4.418 -6.245 1.00 0.00 C ATOM 0 H PHE A 77 9.337 -6.142 -10.946 1.00 0.00 H new ATOM 0 HA PHE A 77 8.226 -3.902 -12.294 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.617 -3.963 -10.606 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.162 -5.628 -10.656 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.672 -5.573 -9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.029 -3.499 -8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.233 -5.462 -6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.587 -3.384 -6.018 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.690 -4.370 -5.194 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.447 -5.432 -18.802 1.00 0.00 MG