USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.23) USER MOD Single : A 7 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.2!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.317 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.402 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -168:sc= -0.484 (180deg=-0.82) USER MOD Single : A 48 MET CE :methyl -149:sc= -0.126 (180deg=-0.792) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -132:sc= -1.03 (180deg=-1.93) USER MOD Single : A 82 MET CE :methyl 169:sc= -0.0112 (180deg=-0.281) USER MOD Single : A 85 GLN : amide:sc= -0.305 K(o=-0.31,f=-2.4!) USER MOD Single : A 86 MET CE :methyl 142:sc= -4.86! (180deg=-9.24!) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= -0.1 (180deg=-0.679) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.919 2.177 -0.878 1.00 0.00 N ATOM 2 CA ALA A 1 -21.536 2.632 -1.134 1.00 0.00 C ATOM 3 C ALA A 1 -21.200 2.468 -2.641 1.00 0.00 C ATOM 4 O ALA A 1 -20.432 1.578 -3.025 1.00 0.00 O ATOM 5 CB ALA A 1 -20.554 1.853 -0.240 1.00 0.00 C ATOM 0 H1 ALA A 1 -23.140 2.289 0.132 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.582 2.746 -1.442 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.010 1.176 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.442 3.689 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.537 2.193 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.801 2.025 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.628 0.788 -0.460 1.00 0.00 H new ATOM 13 N SER A 2 -21.765 3.359 -3.477 1.00 0.00 N ATOM 14 CA SER A 2 -21.535 3.353 -4.946 1.00 0.00 C ATOM 15 C SER A 2 -20.493 4.442 -5.320 1.00 0.00 C ATOM 16 O SER A 2 -20.841 5.614 -5.503 1.00 0.00 O ATOM 17 CB SER A 2 -22.881 3.551 -5.679 1.00 0.00 C ATOM 18 OG SER A 2 -23.973 3.077 -4.898 1.00 0.00 O ATOM 0 H SER A 2 -22.390 4.101 -3.163 1.00 0.00 H new ATOM 0 HA SER A 2 -21.126 2.393 -5.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.023 4.608 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.858 3.024 -6.633 1.00 0.00 H new ATOM 0 HG SER A 2 -24.810 3.217 -5.387 1.00 0.00 H new ATOM 24 N MET A 3 -19.217 4.030 -5.438 1.00 0.00 N ATOM 25 CA MET A 3 -18.087 4.954 -5.725 1.00 0.00 C ATOM 26 C MET A 3 -17.199 4.346 -6.845 1.00 0.00 C ATOM 27 O MET A 3 -16.459 3.384 -6.612 1.00 0.00 O ATOM 28 CB MET A 3 -17.288 5.227 -4.420 1.00 0.00 C ATOM 29 CG MET A 3 -18.130 5.623 -3.192 1.00 0.00 C ATOM 30 SD MET A 3 -17.387 7.024 -2.322 1.00 0.00 S ATOM 31 CE MET A 3 -18.391 8.399 -2.918 1.00 0.00 C ATOM 0 H MET A 3 -18.934 3.055 -5.339 1.00 0.00 H new ATOM 0 HA MET A 3 -18.461 5.914 -6.082 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.716 4.333 -4.172 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.568 6.022 -4.616 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.141 5.881 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.214 4.773 -2.515 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.044 9.327 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.303 8.471 -4.002 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.434 8.231 -2.649 1.00 0.00 H new ATOM 41 N THR A 4 -17.268 4.944 -8.049 1.00 0.00 N ATOM 42 CA THR A 4 -16.538 4.450 -9.247 1.00 0.00 C ATOM 43 C THR A 4 -15.277 5.319 -9.507 1.00 0.00 C ATOM 44 O THR A 4 -14.293 4.845 -10.088 1.00 0.00 O ATOM 45 CB THR A 4 -17.497 4.315 -10.471 1.00 0.00 C ATOM 46 OG1 THR A 4 -18.846 4.362 -10.017 1.00 0.00 O ATOM 47 CG2 THR A 4 -17.340 3.069 -11.366 1.00 0.00 C ATOM 0 H THR A 4 -17.826 5.779 -8.225 1.00 0.00 H new ATOM 0 HA THR A 4 -16.170 3.440 -9.064 1.00 0.00 H new ATOM 0 HB THR A 4 -17.216 5.154 -11.108 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.452 4.279 -10.783 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.070 3.108 -12.175 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.334 3.047 -11.785 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.505 2.171 -10.771 1.00 0.00 H new ATOM 55 N ASP A 5 -15.334 6.600 -9.098 1.00 0.00 N ATOM 56 CA ASP A 5 -14.211 7.560 -9.266 1.00 0.00 C ATOM 57 C ASP A 5 -13.233 7.399 -8.071 1.00 0.00 C ATOM 58 O ASP A 5 -13.202 8.237 -7.162 1.00 0.00 O ATOM 59 CB ASP A 5 -14.725 9.021 -9.428 1.00 0.00 C ATOM 60 CG ASP A 5 -15.431 9.628 -8.203 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.050 8.870 -7.425 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.361 10.863 -8.014 1.00 0.00 O ATOM 0 H ASP A 5 -16.153 7.004 -8.643 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.672 7.337 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.878 9.656 -9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.415 9.051 -10.272 1.00 0.00 H new ATOM 67 N GLN A 6 -12.433 6.317 -8.099 1.00 0.00 N ATOM 68 CA GLN A 6 -11.460 5.994 -7.023 1.00 0.00 C ATOM 69 C GLN A 6 -10.157 6.797 -7.287 1.00 0.00 C ATOM 70 O GLN A 6 -9.521 7.297 -6.352 1.00 0.00 O ATOM 71 CB GLN A 6 -11.213 4.460 -6.961 1.00 0.00 C ATOM 72 CG GLN A 6 -9.932 3.945 -7.663 1.00 0.00 C ATOM 73 CD GLN A 6 -9.900 2.423 -7.893 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.494 1.651 -7.141 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.214 1.962 -8.928 1.00 0.00 N ATOM 0 H GLN A 6 -12.438 5.640 -8.862 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.852 6.282 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.173 4.161 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.072 3.956 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.833 4.448 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.066 4.228 -7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.725 2.610 -9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.175 0.959 -9.108 1.00 0.00 H new ATOM 84 N GLN A 7 -9.784 6.917 -8.575 1.00 0.00 N ATOM 85 CA GLN A 7 -8.558 7.640 -9.005 1.00 0.00 C ATOM 86 C GLN A 7 -8.756 9.157 -8.738 1.00 0.00 C ATOM 87 O GLN A 7 -7.791 9.880 -8.459 1.00 0.00 O ATOM 88 CB GLN A 7 -8.256 7.405 -10.513 1.00 0.00 C ATOM 89 CG GLN A 7 -9.068 6.285 -11.203 1.00 0.00 C ATOM 90 CD GLN A 7 -10.352 6.810 -11.867 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.487 8.003 -12.140 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.318 5.944 -12.135 1.00 0.00 N ATOM 0 H GLN A 7 -10.317 6.520 -9.349 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.709 7.260 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.435 8.338 -11.048 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.196 7.175 -10.619 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.446 5.801 -11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.329 5.524 -10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.197 4.958 -11.905 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.183 6.264 -12.571 1.00 0.00 H new ATOM 101 N ALA A 8 -10.015 9.625 -8.829 1.00 0.00 N ATOM 102 CA ALA A 8 -10.368 11.052 -8.603 1.00 0.00 C ATOM 103 C ALA A 8 -10.004 11.471 -7.152 1.00 0.00 C ATOM 104 O ALA A 8 -9.683 12.637 -6.895 1.00 0.00 O ATOM 105 CB ALA A 8 -11.868 11.253 -8.899 1.00 0.00 C ATOM 0 H ALA A 8 -10.815 9.036 -9.059 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.796 11.690 -9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.134 12.297 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.074 10.984 -9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.458 10.620 -8.236 1.00 0.00 H new ATOM 111 N GLU A 9 -10.088 10.510 -6.213 1.00 0.00 N ATOM 112 CA GLU A 9 -9.866 10.759 -4.764 1.00 0.00 C ATOM 113 C GLU A 9 -8.358 11.035 -4.516 1.00 0.00 C ATOM 114 O GLU A 9 -7.978 12.131 -4.087 1.00 0.00 O ATOM 115 CB GLU A 9 -10.386 9.581 -3.890 1.00 0.00 C ATOM 116 CG GLU A 9 -11.805 9.056 -4.214 1.00 0.00 C ATOM 117 CD GLU A 9 -12.567 8.580 -2.975 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.197 8.973 -1.847 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.541 7.808 -3.123 1.00 0.00 O ATOM 0 H GLU A 9 -10.311 9.539 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.439 11.637 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.685 8.751 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.369 9.896 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.375 9.846 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.728 8.233 -4.924 1.00 0.00 H new ATOM 126 N ALA A 10 -7.515 10.016 -4.764 1.00 0.00 N ATOM 127 CA ALA A 10 -6.057 10.078 -4.472 1.00 0.00 C ATOM 128 C ALA A 10 -5.398 11.240 -5.263 1.00 0.00 C ATOM 129 O ALA A 10 -4.435 11.857 -4.794 1.00 0.00 O ATOM 130 CB ALA A 10 -5.419 8.717 -4.813 1.00 0.00 C ATOM 0 H ALA A 10 -7.815 9.129 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.896 10.279 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.350 8.753 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.882 7.937 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.573 8.497 -5.869 1.00 0.00 H new ATOM 136 N ARG A 11 -5.917 11.502 -6.477 1.00 0.00 N ATOM 137 CA ARG A 11 -5.343 12.501 -7.416 1.00 0.00 C ATOM 138 C ARG A 11 -5.693 13.918 -6.885 1.00 0.00 C ATOM 139 O ARG A 11 -4.849 14.821 -6.893 1.00 0.00 O ATOM 140 CB ARG A 11 -5.893 12.283 -8.854 1.00 0.00 C ATOM 141 CG ARG A 11 -5.892 13.542 -9.753 1.00 0.00 C ATOM 142 CD ARG A 11 -7.311 14.063 -10.050 1.00 0.00 C ATOM 143 NE ARG A 11 -7.328 14.983 -11.215 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.294 15.014 -12.155 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.554 14.730 -11.853 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.025 15.386 -13.399 1.00 0.00 N ATOM 0 H ARG A 11 -6.745 11.031 -6.840 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.260 12.389 -7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.300 11.508 -9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.913 11.907 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.315 14.329 -9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.390 13.312 -10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.975 13.220 -10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.699 14.580 -9.173 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.553 15.639 -11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.806 14.483 -10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.271 14.759 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.075 15.654 -13.657 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.768 15.404 -14.098 1.00 0.00 H new ATOM 160 N ALA A 12 -6.950 14.089 -6.428 1.00 0.00 N ATOM 161 CA ALA A 12 -7.475 15.409 -5.986 1.00 0.00 C ATOM 162 C ALA A 12 -6.728 15.871 -4.705 1.00 0.00 C ATOM 163 O ALA A 12 -6.519 17.072 -4.495 1.00 0.00 O ATOM 164 CB ALA A 12 -8.996 15.306 -5.758 1.00 0.00 C ATOM 0 H ALA A 12 -7.627 13.330 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.300 16.159 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.382 16.273 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.484 15.014 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.199 14.559 -4.991 1.00 0.00 H new ATOM 170 N PHE A 13 -6.333 14.901 -3.860 1.00 0.00 N ATOM 171 CA PHE A 13 -5.607 15.176 -2.591 1.00 0.00 C ATOM 172 C PHE A 13 -4.145 15.591 -2.909 1.00 0.00 C ATOM 173 O PHE A 13 -3.644 16.593 -2.385 1.00 0.00 O ATOM 174 CB PHE A 13 -5.705 13.926 -1.670 1.00 0.00 C ATOM 175 CG PHE A 13 -4.810 13.967 -0.415 1.00 0.00 C ATOM 176 CD1 PHE A 13 -5.258 14.589 0.756 1.00 0.00 C ATOM 177 CD2 PHE A 13 -3.537 13.382 -0.435 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.451 14.616 1.891 1.00 0.00 C ATOM 179 CE2 PHE A 13 -2.732 13.412 0.700 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.190 14.025 1.863 1.00 0.00 C ATOM 0 H PHE A 13 -6.503 13.910 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.058 16.009 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.741 13.807 -1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.446 13.043 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.234 15.050 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.179 12.905 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.803 15.095 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.752 12.960 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.567 14.042 2.745 1.00 0.00 H new ATOM 190 N LEU A 14 -3.484 14.813 -3.787 1.00 0.00 N ATOM 191 CA LEU A 14 -2.053 15.012 -4.138 1.00 0.00 C ATOM 192 C LEU A 14 -1.965 16.193 -5.142 1.00 0.00 C ATOM 193 O LEU A 14 -2.977 16.613 -5.715 1.00 0.00 O ATOM 194 CB LEU A 14 -1.436 13.706 -4.723 1.00 0.00 C ATOM 195 CG LEU A 14 -1.643 12.391 -3.916 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.658 11.162 -4.847 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.582 12.200 -2.812 1.00 0.00 C ATOM 0 H LEU A 14 -3.919 14.030 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.474 15.252 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.848 13.557 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.364 13.864 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.614 12.482 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.804 10.259 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.471 11.260 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.709 11.097 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.774 11.268 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.410 12.163 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.632 13.034 -2.112 1.00 0.00 H new ATOM 209 N SER A 15 -0.741 16.716 -5.340 1.00 0.00 N ATOM 210 CA SER A 15 -0.480 17.855 -6.261 1.00 0.00 C ATOM 211 C SER A 15 0.317 17.357 -7.497 1.00 0.00 C ATOM 212 O SER A 15 0.730 16.192 -7.552 1.00 0.00 O ATOM 213 CB SER A 15 0.255 18.977 -5.491 1.00 0.00 C ATOM 214 OG SER A 15 1.152 19.696 -6.331 1.00 0.00 O ATOM 0 H SER A 15 0.096 16.368 -4.872 1.00 0.00 H new ATOM 0 HA SER A 15 -1.417 18.271 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.476 19.665 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.807 18.544 -4.657 1.00 0.00 H new ATOM 0 HG SER A 15 1.597 20.397 -5.810 1.00 0.00 H new ATOM 220 N GLU A 16 0.496 18.243 -8.495 1.00 0.00 N ATOM 221 CA GLU A 16 1.204 17.913 -9.760 1.00 0.00 C ATOM 222 C GLU A 16 2.701 17.649 -9.437 1.00 0.00 C ATOM 223 O GLU A 16 3.328 16.771 -10.041 1.00 0.00 O ATOM 224 CB GLU A 16 0.984 19.039 -10.810 1.00 0.00 C ATOM 225 CG GLU A 16 1.972 19.077 -12.000 1.00 0.00 C ATOM 226 CD GLU A 16 1.471 19.875 -13.208 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.600 21.119 -13.207 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.949 19.261 -14.165 1.00 0.00 O ATOM 0 H GLU A 16 0.158 19.205 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 16 0.800 17.005 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.026 18.941 -11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.032 19.999 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.915 19.506 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.182 18.055 -12.316 1.00 0.00 H new ATOM 235 N GLU A 17 3.247 18.425 -8.478 1.00 0.00 N ATOM 236 CA GLU A 17 4.691 18.358 -8.116 1.00 0.00 C ATOM 237 C GLU A 17 4.927 17.053 -7.307 1.00 0.00 C ATOM 238 O GLU A 17 5.966 16.399 -7.454 1.00 0.00 O ATOM 239 CB GLU A 17 5.141 19.644 -7.363 1.00 0.00 C ATOM 240 CG GLU A 17 5.440 20.889 -8.231 1.00 0.00 C ATOM 241 CD GLU A 17 4.507 21.055 -9.435 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.366 21.536 -9.254 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.911 20.708 -10.567 1.00 0.00 O ATOM 0 H GLU A 17 2.716 19.107 -7.937 1.00 0.00 H new ATOM 0 HA GLU A 17 5.312 18.322 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.364 19.908 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.037 19.406 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.370 21.779 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.468 20.831 -8.588 1.00 0.00 H new ATOM 250 N MET A 18 3.935 16.676 -6.479 1.00 0.00 N ATOM 251 CA MET A 18 4.000 15.452 -5.637 1.00 0.00 C ATOM 252 C MET A 18 4.008 14.220 -6.582 1.00 0.00 C ATOM 253 O MET A 18 4.691 13.224 -6.314 1.00 0.00 O ATOM 254 CB MET A 18 2.829 15.403 -4.615 1.00 0.00 C ATOM 255 CG MET A 18 3.057 14.519 -3.374 1.00 0.00 C ATOM 256 SD MET A 18 2.346 15.307 -1.912 1.00 0.00 S ATOM 257 CE MET A 18 3.648 16.477 -1.473 1.00 0.00 C ATOM 0 H MET A 18 3.068 17.203 -6.370 1.00 0.00 H new ATOM 0 HA MET A 18 4.912 15.454 -5.040 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.621 16.419 -4.280 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.936 15.049 -5.131 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.602 13.540 -3.527 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.124 14.355 -3.226 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.350 17.037 -0.586 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.570 15.934 -1.267 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.811 17.168 -2.301 1.00 0.00 H new ATOM 267 N ILE A 19 3.239 14.306 -7.684 1.00 0.00 N ATOM 268 CA ILE A 19 3.044 13.179 -8.635 1.00 0.00 C ATOM 269 C ILE A 19 4.436 12.887 -9.258 1.00 0.00 C ATOM 270 O ILE A 19 4.763 11.731 -9.553 1.00 0.00 O ATOM 271 CB ILE A 19 1.901 13.478 -9.677 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.534 12.841 -9.271 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.282 13.045 -11.119 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.203 13.520 -8.105 1.00 0.00 C ATOM 0 H ILE A 19 2.734 15.153 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 19 2.686 12.280 -8.134 1.00 0.00 H new ATOM 0 HB ILE A 19 1.783 14.562 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.121 12.847 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.705 11.797 -9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.460 13.274 -11.797 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.175 13.584 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.480 11.973 -11.137 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.138 12.995 -7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.422 13.490 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.417 14.557 -8.364 1.00 0.00 H new ATOM 286 N ALA A 20 5.233 13.949 -9.482 1.00 0.00 N ATOM 287 CA ALA A 20 6.569 13.840 -10.129 1.00 0.00 C ATOM 288 C ALA A 20 7.467 12.848 -9.341 1.00 0.00 C ATOM 289 O ALA A 20 8.255 12.101 -9.935 1.00 0.00 O ATOM 290 CB ALA A 20 7.201 15.243 -10.215 1.00 0.00 C ATOM 0 H ALA A 20 4.978 14.903 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 20 6.465 13.447 -11.140 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.181 15.172 -10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.559 15.896 -10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.311 15.654 -9.212 1.00 0.00 H new ATOM 296 N GLU A 21 7.355 12.876 -8.000 1.00 0.00 N ATOM 297 CA GLU A 21 8.182 12.032 -7.098 1.00 0.00 C ATOM 298 C GLU A 21 7.927 10.541 -7.454 1.00 0.00 C ATOM 299 O GLU A 21 8.858 9.730 -7.501 1.00 0.00 O ATOM 300 CB GLU A 21 7.881 12.378 -5.611 1.00 0.00 C ATOM 301 CG GLU A 21 9.061 12.250 -4.619 1.00 0.00 C ATOM 302 CD GLU A 21 10.367 12.882 -5.112 1.00 0.00 C ATOM 303 OE1 GLU A 21 10.545 14.109 -4.948 1.00 0.00 O ATOM 304 OE2 GLU A 21 11.219 12.154 -5.668 1.00 0.00 O ATOM 0 H GLU A 21 6.695 13.478 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 21 9.245 12.229 -7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.509 13.402 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.074 11.731 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.779 12.715 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.236 11.194 -4.414 1.00 0.00 H new ATOM 311 N PHE A 22 6.644 10.196 -7.673 1.00 0.00 N ATOM 312 CA PHE A 22 6.207 8.806 -7.965 1.00 0.00 C ATOM 313 C PHE A 22 6.574 8.447 -9.432 1.00 0.00 C ATOM 314 O PHE A 22 6.697 7.260 -9.765 1.00 0.00 O ATOM 315 CB PHE A 22 4.680 8.648 -7.689 1.00 0.00 C ATOM 316 CG PHE A 22 4.223 9.066 -6.276 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.544 8.274 -5.167 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.506 10.253 -6.084 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.201 8.690 -3.883 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.167 10.668 -4.798 1.00 0.00 C ATOM 321 CZ PHE A 22 3.538 9.900 -3.698 1.00 0.00 C ATOM 0 H PHE A 22 5.877 10.868 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 22 6.725 8.109 -7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.131 9.240 -8.421 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.404 7.606 -7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.060 7.336 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.215 10.849 -6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.449 8.074 -3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.616 11.586 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.311 10.243 -2.699 1.00 0.00 H new ATOM 331 N LYS A 23 6.714 9.465 -10.300 1.00 0.00 N ATOM 332 CA LYS A 23 6.952 9.277 -11.757 1.00 0.00 C ATOM 333 C LYS A 23 8.219 8.397 -11.931 1.00 0.00 C ATOM 334 O LYS A 23 8.230 7.460 -12.739 1.00 0.00 O ATOM 335 CB LYS A 23 7.117 10.643 -12.487 1.00 0.00 C ATOM 336 CG LYS A 23 5.888 11.184 -13.257 1.00 0.00 C ATOM 337 CD LYS A 23 6.131 12.499 -14.028 1.00 0.00 C ATOM 338 CE LYS A 23 6.788 12.270 -15.401 1.00 0.00 C ATOM 339 NZ LYS A 23 5.781 12.004 -16.444 1.00 0.00 N ATOM 0 H LYS A 23 6.667 10.444 -10.019 1.00 0.00 H new ATOM 0 HA LYS A 23 6.091 8.784 -12.207 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.408 11.389 -11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.944 10.553 -13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.555 10.422 -13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.074 11.340 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.181 13.015 -14.166 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.766 13.154 -13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.375 13.147 -15.675 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.480 11.430 -15.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.257 11.854 -17.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.238 11.153 -16.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.136 12.817 -16.519 1.00 0.00 H new ATOM 353 N ALA A 24 9.290 8.731 -11.187 1.00 0.00 N ATOM 354 CA ALA A 24 10.611 8.061 -11.318 1.00 0.00 C ATOM 355 C ALA A 24 10.486 6.557 -10.949 1.00 0.00 C ATOM 356 O ALA A 24 10.839 5.674 -11.741 1.00 0.00 O ATOM 357 CB ALA A 24 11.636 8.787 -10.425 1.00 0.00 C ATOM 0 H ALA A 24 9.272 9.467 -10.481 1.00 0.00 H new ATOM 0 HA ALA A 24 10.957 8.114 -12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.607 8.301 -10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.720 9.827 -10.739 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.307 8.747 -9.387 1.00 0.00 H new ATOM 363 N ALA A 25 10.006 6.284 -9.721 1.00 0.00 N ATOM 364 CA ALA A 25 9.913 4.908 -9.169 1.00 0.00 C ATOM 365 C ALA A 25 8.854 4.065 -9.932 1.00 0.00 C ATOM 366 O ALA A 25 8.864 2.829 -9.836 1.00 0.00 O ATOM 367 CB ALA A 25 9.589 4.998 -7.662 1.00 0.00 C ATOM 0 H ALA A 25 9.671 7.004 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 25 10.868 4.399 -9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.518 3.994 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.380 5.548 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.640 5.516 -7.524 1.00 0.00 H new ATOM 373 N PHE A 26 7.950 4.730 -10.674 1.00 0.00 N ATOM 374 CA PHE A 26 6.813 4.061 -11.363 1.00 0.00 C ATOM 375 C PHE A 26 7.382 3.243 -12.554 1.00 0.00 C ATOM 376 O PHE A 26 6.955 2.109 -12.802 1.00 0.00 O ATOM 377 CB PHE A 26 5.743 5.098 -11.821 1.00 0.00 C ATOM 378 CG PHE A 26 4.724 4.574 -12.857 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.884 3.501 -12.539 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.614 5.181 -14.113 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.946 3.044 -13.462 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.683 4.716 -15.039 1.00 0.00 C ATOM 383 CZ PHE A 26 2.838 3.660 -14.706 1.00 0.00 C ATOM 0 H PHE A 26 7.979 5.739 -10.817 1.00 0.00 H new ATOM 0 HA PHE A 26 6.303 3.386 -10.676 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.199 5.447 -10.943 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.255 5.963 -12.243 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.963 3.025 -11.573 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.254 6.014 -14.366 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.303 2.213 -13.213 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.616 5.174 -16.015 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.098 3.318 -15.414 1.00 0.00 H new ATOM 393 N ASP A 27 8.330 3.846 -13.295 1.00 0.00 N ATOM 394 CA ASP A 27 9.025 3.174 -14.425 1.00 0.00 C ATOM 395 C ASP A 27 9.874 2.002 -13.860 1.00 0.00 C ATOM 396 O ASP A 27 9.948 0.929 -14.473 1.00 0.00 O ATOM 397 CB ASP A 27 9.871 4.179 -15.259 1.00 0.00 C ATOM 398 CG ASP A 27 10.203 3.752 -16.699 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.215 3.045 -16.901 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.450 4.116 -17.629 1.00 0.00 O ATOM 0 H ASP A 27 8.639 4.805 -13.135 1.00 0.00 H new ATOM 0 HA ASP A 27 8.289 2.768 -15.119 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.337 5.128 -15.297 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.807 4.361 -14.731 1.00 0.00 H new ATOM 405 N MET A 28 10.482 2.217 -12.676 1.00 0.00 N ATOM 406 CA MET A 28 11.318 1.188 -11.999 1.00 0.00 C ATOM 407 C MET A 28 10.433 -0.071 -11.784 1.00 0.00 C ATOM 408 O MET A 28 10.896 -1.205 -11.950 1.00 0.00 O ATOM 409 CB MET A 28 11.925 1.711 -10.666 1.00 0.00 C ATOM 410 CG MET A 28 13.152 0.945 -10.138 1.00 0.00 C ATOM 411 SD MET A 28 14.640 1.953 -10.323 1.00 0.00 S ATOM 412 CE MET A 28 14.665 2.837 -8.749 1.00 0.00 C ATOM 0 H MET A 28 10.413 3.095 -12.162 1.00 0.00 H new ATOM 0 HA MET A 28 12.175 0.937 -12.624 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.204 2.756 -10.802 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.149 1.686 -9.901 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.006 0.687 -9.089 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.268 0.008 -10.683 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.530 3.499 -8.717 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.753 3.426 -8.648 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.727 2.120 -7.930 1.00 0.00 H new ATOM 422 N PHE A 29 9.158 0.153 -11.411 1.00 0.00 N ATOM 423 CA PHE A 29 8.216 -0.943 -11.058 1.00 0.00 C ATOM 424 C PHE A 29 7.959 -1.798 -12.329 1.00 0.00 C ATOM 425 O PHE A 29 7.969 -3.034 -12.270 1.00 0.00 O ATOM 426 CB PHE A 29 6.895 -0.374 -10.460 1.00 0.00 C ATOM 427 CG PHE A 29 6.118 -1.337 -9.541 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.440 -2.699 -9.511 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.075 -0.862 -8.736 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.750 -3.566 -8.667 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.387 -1.732 -7.893 1.00 0.00 C ATOM 432 CZ PHE A 29 4.738 -3.078 -7.844 1.00 0.00 C ATOM 0 H PHE A 29 8.749 1.085 -11.344 1.00 0.00 H new ATOM 0 HA PHE A 29 8.653 -1.577 -10.286 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.130 0.529 -9.896 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.243 -0.076 -11.281 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.227 -3.079 -10.145 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.803 0.183 -8.769 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.000 -4.617 -8.651 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.581 -1.362 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.225 -3.745 -7.167 1.00 0.00 H new ATOM 442 N ASP A 30 7.726 -1.122 -13.469 1.00 0.00 N ATOM 443 CA ASP A 30 7.354 -1.789 -14.745 1.00 0.00 C ATOM 444 C ASP A 30 8.625 -2.450 -15.347 1.00 0.00 C ATOM 445 O ASP A 30 9.028 -3.537 -14.912 1.00 0.00 O ATOM 446 CB ASP A 30 6.654 -0.802 -15.724 1.00 0.00 C ATOM 447 CG ASP A 30 6.286 -1.360 -17.110 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.891 -2.368 -17.538 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.396 -0.786 -17.777 1.00 0.00 O ATOM 0 H ASP A 30 7.788 -0.106 -13.539 1.00 0.00 H new ATOM 0 HA ASP A 30 6.618 -2.571 -14.557 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.743 -0.438 -15.249 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.306 0.060 -15.865 1.00 0.00 H new ATOM 454 N ALA A 31 9.260 -1.774 -16.322 1.00 0.00 N ATOM 455 CA ALA A 31 10.487 -2.268 -17.004 1.00 0.00 C ATOM 456 C ALA A 31 10.749 -1.424 -18.283 1.00 0.00 C ATOM 457 O ALA A 31 11.854 -0.913 -18.492 1.00 0.00 O ATOM 458 CB ALA A 31 10.332 -3.766 -17.332 1.00 0.00 C ATOM 0 H ALA A 31 8.942 -0.868 -16.665 1.00 0.00 H new ATOM 0 HA ALA A 31 11.349 -2.157 -16.346 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.232 -4.124 -17.831 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.181 -4.327 -16.410 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.473 -3.908 -17.987 1.00 0.00 H new ATOM 464 N ASP A 32 9.717 -1.318 -19.141 1.00 0.00 N ATOM 465 CA ASP A 32 9.811 -0.637 -20.459 1.00 0.00 C ATOM 466 C ASP A 32 9.308 0.824 -20.302 1.00 0.00 C ATOM 467 O ASP A 32 9.829 1.746 -20.940 1.00 0.00 O ATOM 468 CB ASP A 32 9.044 -1.419 -21.565 1.00 0.00 C ATOM 469 CG ASP A 32 7.762 -2.140 -21.116 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.696 -1.489 -21.036 1.00 0.00 O ATOM 471 OD2 ASP A 32 7.820 -3.358 -20.836 1.00 0.00 O ATOM 0 H ASP A 32 8.792 -1.700 -18.946 1.00 0.00 H new ATOM 0 HA ASP A 32 10.850 -0.614 -20.786 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.785 -0.722 -22.362 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.720 -2.157 -21.995 1.00 0.00 H new ATOM 476 N GLY A 33 8.270 1.012 -19.465 1.00 0.00 N ATOM 477 CA GLY A 33 7.664 2.348 -19.218 1.00 0.00 C ATOM 478 C GLY A 33 6.797 2.813 -20.418 1.00 0.00 C ATOM 479 O GLY A 33 7.033 3.878 -21.001 1.00 0.00 O ATOM 0 H GLY A 33 7.827 0.256 -18.943 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.050 2.309 -18.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.453 3.077 -19.034 1.00 0.00 H new ATOM 483 N GLY A 34 5.805 1.981 -20.797 1.00 0.00 N ATOM 484 CA GLY A 34 4.960 2.232 -21.992 1.00 0.00 C ATOM 485 C GLY A 34 3.757 3.134 -21.619 1.00 0.00 C ATOM 486 O GLY A 34 3.475 4.135 -22.289 1.00 0.00 O ATOM 0 H GLY A 34 5.566 1.126 -20.294 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.553 2.709 -22.772 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.602 1.286 -22.398 1.00 0.00 H new ATOM 490 N GLY A 35 3.067 2.778 -20.517 1.00 0.00 N ATOM 491 CA GLY A 35 1.903 3.549 -20.013 1.00 0.00 C ATOM 492 C GLY A 35 1.309 2.860 -18.757 1.00 0.00 C ATOM 493 O GLY A 35 0.933 3.530 -17.786 1.00 0.00 O ATOM 0 H GLY A 35 3.294 1.958 -19.954 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.209 4.566 -19.768 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.142 3.623 -20.790 1.00 0.00 H new ATOM 497 N ASP A 36 1.217 1.517 -18.804 1.00 0.00 N ATOM 498 CA ASP A 36 0.681 0.694 -17.687 1.00 0.00 C ATOM 499 C ASP A 36 1.691 -0.445 -17.378 1.00 0.00 C ATOM 500 O ASP A 36 2.579 -0.736 -18.189 1.00 0.00 O ATOM 501 CB ASP A 36 -0.747 0.160 -18.001 1.00 0.00 C ATOM 502 CG ASP A 36 -1.068 -0.083 -19.485 1.00 0.00 C ATOM 503 OD1 ASP A 36 -0.577 -1.083 -20.054 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.818 0.721 -20.083 1.00 0.00 O ATOM 0 H ASP A 36 1.509 0.967 -19.612 1.00 0.00 H new ATOM 0 HA ASP A 36 0.571 1.312 -16.796 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.889 -0.776 -17.462 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.473 0.870 -17.605 1.00 0.00 H new ATOM 509 N ILE A 37 1.557 -1.057 -16.186 1.00 0.00 N ATOM 510 CA ILE A 37 2.417 -2.187 -15.739 1.00 0.00 C ATOM 511 C ILE A 37 1.727 -3.528 -16.110 1.00 0.00 C ATOM 512 O ILE A 37 0.844 -3.563 -16.978 1.00 0.00 O ATOM 513 CB ILE A 37 2.830 -2.112 -14.222 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.647 -0.717 -13.546 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.260 -2.668 -14.004 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.847 -0.203 -12.735 1.00 0.00 C ATOM 0 H ILE A 37 0.852 -0.787 -15.500 1.00 0.00 H new ATOM 0 HA ILE A 37 3.366 -2.116 -16.270 1.00 0.00 H new ATOM 0 HB ILE A 37 2.114 -2.754 -13.708 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.417 0.014 -14.321 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.781 -0.765 -12.886 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.518 -2.604 -12.947 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.298 -3.709 -14.324 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.971 -2.083 -14.587 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.609 0.773 -12.311 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.069 -0.904 -11.930 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.715 -0.113 -13.388 1.00 0.00 H new ATOM 528 N SER A 38 2.157 -4.631 -15.468 1.00 0.00 N ATOM 529 CA SER A 38 1.594 -5.985 -15.718 1.00 0.00 C ATOM 530 C SER A 38 2.054 -6.958 -14.597 1.00 0.00 C ATOM 531 O SER A 38 2.659 -6.536 -13.605 1.00 0.00 O ATOM 532 CB SER A 38 2.015 -6.466 -17.125 1.00 0.00 C ATOM 533 OG SER A 38 0.892 -6.908 -17.881 1.00 0.00 O ATOM 0 H SER A 38 2.897 -4.617 -14.766 1.00 0.00 H new ATOM 0 HA SER A 38 0.505 -5.954 -15.694 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.515 -5.655 -17.654 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.736 -7.278 -17.033 1.00 0.00 H new ATOM 0 HG SER A 38 1.190 -7.204 -18.766 1.00 0.00 H new ATOM 539 N THR A 39 1.768 -8.259 -14.787 1.00 0.00 N ATOM 540 CA THR A 39 2.131 -9.329 -13.820 1.00 0.00 C ATOM 541 C THR A 39 3.591 -9.780 -14.097 1.00 0.00 C ATOM 542 O THR A 39 4.365 -10.021 -13.161 1.00 0.00 O ATOM 543 CB THR A 39 1.117 -10.516 -13.851 1.00 0.00 C ATOM 544 OG1 THR A 39 0.307 -10.457 -15.022 1.00 0.00 O ATOM 545 CG2 THR A 39 0.182 -10.613 -12.631 1.00 0.00 C ATOM 0 H THR A 39 1.279 -8.605 -15.613 1.00 0.00 H new ATOM 0 HA THR A 39 2.075 -8.933 -12.806 1.00 0.00 H new ATOM 0 HB THR A 39 1.749 -11.404 -13.839 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.320 -11.210 -15.024 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.483 -11.469 -12.749 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.777 -10.737 -11.726 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.411 -9.702 -12.553 1.00 0.00 H new ATOM 553 N LYS A 40 3.953 -9.894 -15.389 1.00 0.00 N ATOM 554 CA LYS A 40 5.313 -10.318 -15.815 1.00 0.00 C ATOM 555 C LYS A 40 6.312 -9.170 -15.508 1.00 0.00 C ATOM 556 O LYS A 40 7.459 -9.418 -15.117 1.00 0.00 O ATOM 557 CB LYS A 40 5.275 -10.733 -17.315 1.00 0.00 C ATOM 558 CG LYS A 40 6.601 -11.254 -17.926 1.00 0.00 C ATOM 559 CD LYS A 40 7.165 -10.560 -19.190 1.00 0.00 C ATOM 560 CE LYS A 40 7.477 -11.466 -20.400 1.00 0.00 C ATOM 561 NZ LYS A 40 6.825 -11.034 -21.649 1.00 0.00 N ATOM 0 H LYS A 40 3.322 -9.698 -16.166 1.00 0.00 H new ATOM 0 HA LYS A 40 5.654 -11.193 -15.262 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.517 -11.508 -17.435 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.946 -9.873 -17.898 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.365 -11.199 -17.151 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.463 -12.309 -18.163 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.450 -9.802 -19.509 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.080 -10.038 -18.911 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.556 -11.492 -20.554 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.163 -12.484 -20.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.079 -11.688 -22.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.793 -11.035 -21.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.142 -10.074 -21.892 1.00 0.00 H new ATOM 575 N GLU A 41 5.860 -7.917 -15.699 1.00 0.00 N ATOM 576 CA GLU A 41 6.720 -6.712 -15.559 1.00 0.00 C ATOM 577 C GLU A 41 6.931 -6.411 -14.050 1.00 0.00 C ATOM 578 O GLU A 41 8.049 -6.110 -13.616 1.00 0.00 O ATOM 579 CB GLU A 41 6.125 -5.502 -16.336 1.00 0.00 C ATOM 580 CG GLU A 41 5.657 -5.742 -17.793 1.00 0.00 C ATOM 581 CD GLU A 41 4.856 -4.584 -18.396 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.084 -3.933 -17.658 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.994 -4.321 -19.612 1.00 0.00 O ATOM 0 H GLU A 41 4.895 -7.705 -15.953 1.00 0.00 H new ATOM 0 HA GLU A 41 7.696 -6.902 -16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.274 -5.124 -15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.875 -4.711 -16.351 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.531 -5.928 -18.417 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.047 -6.645 -17.822 1.00 0.00 H new ATOM 590 N LEU A 42 5.835 -6.469 -13.270 1.00 0.00 N ATOM 591 CA LEU A 42 5.863 -6.200 -11.808 1.00 0.00 C ATOM 592 C LEU A 42 6.814 -7.236 -11.149 1.00 0.00 C ATOM 593 O LEU A 42 7.596 -6.902 -10.252 1.00 0.00 O ATOM 594 CB LEU A 42 4.428 -6.264 -11.204 1.00 0.00 C ATOM 595 CG LEU A 42 4.304 -6.474 -9.666 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.960 -5.936 -9.136 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.477 -7.950 -9.255 1.00 0.00 C ATOM 0 H LEU A 42 4.908 -6.701 -13.626 1.00 0.00 H new ATOM 0 HA LEU A 42 6.234 -5.193 -11.614 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.914 -5.337 -11.459 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.891 -7.073 -11.698 1.00 0.00 H new ATOM 0 HG LEU A 42 5.118 -5.907 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.903 -6.097 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.886 -4.869 -9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.140 -6.461 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.381 -8.040 -8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.710 -8.555 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.462 -8.300 -9.563 1.00 0.00 H new ATOM 609 N GLY A 43 6.730 -8.498 -11.610 1.00 0.00 N ATOM 610 CA GLY A 43 7.497 -9.628 -11.031 1.00 0.00 C ATOM 611 C GLY A 43 9.021 -9.342 -11.037 1.00 0.00 C ATOM 612 O GLY A 43 9.769 -9.937 -10.247 1.00 0.00 O ATOM 0 H GLY A 43 6.132 -8.767 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.164 -9.810 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.294 -10.536 -11.599 1.00 0.00 H new ATOM 616 N THR A 44 9.472 -8.451 -11.938 1.00 0.00 N ATOM 617 CA THR A 44 10.916 -8.160 -12.147 1.00 0.00 C ATOM 618 C THR A 44 11.489 -7.463 -10.883 1.00 0.00 C ATOM 619 O THR A 44 12.471 -7.932 -10.293 1.00 0.00 O ATOM 620 CB THR A 44 11.163 -7.334 -13.449 1.00 0.00 C ATOM 621 OG1 THR A 44 10.966 -8.145 -14.605 1.00 0.00 O ATOM 622 CG2 THR A 44 12.553 -6.681 -13.558 1.00 0.00 C ATOM 0 H THR A 44 8.854 -7.910 -12.543 1.00 0.00 H new ATOM 0 HA THR A 44 11.449 -9.100 -12.292 1.00 0.00 H new ATOM 0 HB THR A 44 10.435 -6.525 -13.392 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.124 -7.610 -15.411 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.624 -6.131 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.699 -5.995 -12.724 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.321 -7.454 -13.531 1.00 0.00 H new ATOM 630 N VAL A 45 10.883 -6.324 -10.499 1.00 0.00 N ATOM 631 CA VAL A 45 11.373 -5.461 -9.390 1.00 0.00 C ATOM 632 C VAL A 45 11.266 -6.275 -8.072 1.00 0.00 C ATOM 633 O VAL A 45 12.161 -6.207 -7.217 1.00 0.00 O ATOM 634 CB VAL A 45 10.622 -4.082 -9.345 1.00 0.00 C ATOM 635 CG1 VAL A 45 10.035 -3.762 -7.950 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.485 -2.875 -9.793 1.00 0.00 C ATOM 0 H VAL A 45 10.037 -5.969 -10.945 1.00 0.00 H new ATOM 0 HA VAL A 45 12.417 -5.191 -9.548 1.00 0.00 H new ATOM 0 HB VAL A 45 9.814 -4.215 -10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.528 -2.797 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.322 -4.537 -7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.840 -3.725 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.893 -1.962 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.354 -2.787 -9.141 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.816 -3.026 -10.821 1.00 0.00 H new ATOM 646 N MET A 46 10.156 -7.016 -7.904 1.00 0.00 N ATOM 647 CA MET A 46 9.851 -7.757 -6.650 1.00 0.00 C ATOM 648 C MET A 46 10.869 -8.920 -6.500 1.00 0.00 C ATOM 649 O MET A 46 11.211 -9.313 -5.376 1.00 0.00 O ATOM 650 CB MET A 46 8.379 -8.263 -6.638 1.00 0.00 C ATOM 651 CG MET A 46 7.975 -9.177 -7.810 1.00 0.00 C ATOM 652 SD MET A 46 6.642 -10.285 -7.299 1.00 0.00 S ATOM 653 CE MET A 46 7.500 -11.352 -6.124 1.00 0.00 C ATOM 0 H MET A 46 9.443 -7.123 -8.626 1.00 0.00 H new ATOM 0 HA MET A 46 9.950 -7.089 -5.794 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.207 -8.802 -5.706 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.717 -7.397 -6.632 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.652 -8.573 -8.658 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.835 -9.758 -8.142 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.872 -12.211 -5.887 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.436 -11.697 -6.562 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.711 -10.794 -5.212 1.00 0.00 H new ATOM 663 N ARG A 47 11.320 -9.482 -7.636 1.00 0.00 N ATOM 664 CA ARG A 47 12.202 -10.681 -7.663 1.00 0.00 C ATOM 665 C ARG A 47 13.668 -10.261 -7.361 1.00 0.00 C ATOM 666 O ARG A 47 14.441 -11.046 -6.797 1.00 0.00 O ATOM 667 CB ARG A 47 12.097 -11.397 -9.038 1.00 0.00 C ATOM 668 CG ARG A 47 13.301 -12.300 -9.395 1.00 0.00 C ATOM 669 CD ARG A 47 14.331 -11.607 -10.309 1.00 0.00 C ATOM 670 NE ARG A 47 15.724 -12.016 -9.992 1.00 0.00 N ATOM 671 CZ ARG A 47 16.781 -11.866 -10.819 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.705 -11.337 -12.039 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.963 -12.271 -10.393 1.00 0.00 N ATOM 0 H ARG A 47 11.089 -9.125 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 47 11.879 -11.383 -6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.191 -12.003 -9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.984 -10.643 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.795 -12.616 -8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.937 -13.202 -9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.111 -11.847 -11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.238 -10.526 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 47 15.895 -12.442 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.807 -11.016 -12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.545 -11.253 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.057 -12.683 -9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.782 -12.172 -10.992 1.00 0.00 H new ATOM 687 N MET A 48 14.039 -9.034 -7.772 1.00 0.00 N ATOM 688 CA MET A 48 15.435 -8.528 -7.666 1.00 0.00 C ATOM 689 C MET A 48 15.937 -8.776 -6.217 1.00 0.00 C ATOM 690 O MET A 48 17.126 -9.047 -6.003 1.00 0.00 O ATOM 691 CB MET A 48 15.540 -7.029 -8.069 1.00 0.00 C ATOM 692 CG MET A 48 16.065 -6.752 -9.490 1.00 0.00 C ATOM 693 SD MET A 48 17.433 -5.573 -9.427 1.00 0.00 S ATOM 694 CE MET A 48 16.661 -4.183 -8.572 1.00 0.00 C ATOM 0 H MET A 48 13.390 -8.364 -8.185 1.00 0.00 H new ATOM 0 HA MET A 48 16.072 -9.068 -8.367 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.553 -6.576 -7.972 1.00 0.00 H new ATOM 0 HB3 MET A 48 16.193 -6.526 -7.356 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.397 -7.682 -9.951 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.262 -6.357 -10.112 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.108 -3.250 -8.916 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.592 -4.173 -8.785 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.816 -4.285 -7.498 1.00 0.00 H new ATOM 704 N LEU A 49 15.023 -8.671 -5.234 1.00 0.00 N ATOM 705 CA LEU A 49 15.371 -8.762 -3.790 1.00 0.00 C ATOM 706 C LEU A 49 15.102 -10.213 -3.309 1.00 0.00 C ATOM 707 O LEU A 49 15.904 -10.794 -2.566 1.00 0.00 O ATOM 708 CB LEU A 49 14.563 -7.719 -2.958 1.00 0.00 C ATOM 709 CG LEU A 49 13.045 -7.573 -3.272 1.00 0.00 C ATOM 710 CD1 LEU A 49 12.173 -7.600 -2.000 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.762 -6.287 -4.074 1.00 0.00 C ATOM 0 H LEU A 49 14.029 -8.522 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 49 16.426 -8.528 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.666 -7.977 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.031 -6.744 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 49 12.774 -8.438 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.124 -7.495 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.318 -8.547 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.460 -6.778 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.694 -6.213 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.082 -5.420 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.310 -6.318 -5.016 1.00 0.00 H new ATOM 723 N GLY A 50 13.950 -10.782 -3.717 1.00 0.00 N ATOM 724 CA GLY A 50 13.501 -12.115 -3.245 1.00 0.00 C ATOM 725 C GLY A 50 13.965 -13.234 -4.213 1.00 0.00 C ATOM 726 O GLY A 50 15.147 -13.598 -4.238 1.00 0.00 O ATOM 0 H GLY A 50 13.308 -10.340 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.898 -12.304 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.414 -12.128 -3.163 1.00 0.00 H new ATOM 730 N GLN A 51 13.011 -13.789 -4.984 1.00 0.00 N ATOM 731 CA GLN A 51 13.249 -14.948 -5.885 1.00 0.00 C ATOM 732 C GLN A 51 12.402 -14.745 -7.170 1.00 0.00 C ATOM 733 O GLN A 51 11.868 -13.655 -7.409 1.00 0.00 O ATOM 734 CB GLN A 51 12.915 -16.277 -5.149 1.00 0.00 C ATOM 735 CG GLN A 51 14.125 -17.156 -4.745 1.00 0.00 C ATOM 736 CD GLN A 51 13.859 -18.670 -4.794 1.00 0.00 C ATOM 737 OE1 GLN A 51 14.360 -19.379 -5.667 1.00 0.00 O ATOM 738 NE2 GLN A 51 13.075 -19.199 -3.866 1.00 0.00 N ATOM 0 H GLN A 51 12.049 -13.450 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 51 14.299 -15.012 -6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.349 -16.038 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.260 -16.868 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.962 -16.925 -5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.432 -16.887 -3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.664 -18.605 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.883 -20.201 -3.871 1.00 0.00 H new ATOM 747 N ASN A 52 12.269 -15.815 -7.979 1.00 0.00 N ATOM 748 CA ASN A 52 11.486 -15.782 -9.242 1.00 0.00 C ATOM 749 C ASN A 52 10.220 -16.714 -9.124 1.00 0.00 C ATOM 750 O ASN A 52 10.284 -17.866 -9.565 1.00 0.00 O ATOM 751 CB ASN A 52 12.414 -16.174 -10.424 1.00 0.00 C ATOM 752 CG ASN A 52 11.974 -15.634 -11.802 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.206 -14.676 -11.895 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.450 -16.224 -12.888 1.00 0.00 N ATOM 0 H ASN A 52 12.695 -16.721 -7.783 1.00 0.00 H new ATOM 0 HA ASN A 52 11.113 -14.776 -9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.420 -15.812 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.471 -17.261 -10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.181 -15.885 -13.812 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.086 -17.017 -12.801 1.00 0.00 H new ATOM 761 N PRO A 53 9.061 -16.263 -8.545 1.00 0.00 N ATOM 762 CA PRO A 53 7.800 -17.043 -8.501 1.00 0.00 C ATOM 763 C PRO A 53 7.408 -17.598 -9.901 1.00 0.00 C ATOM 764 O PRO A 53 8.038 -17.268 -10.912 1.00 0.00 O ATOM 765 CB PRO A 53 6.793 -16.022 -7.936 1.00 0.00 C ATOM 766 CG PRO A 53 7.594 -14.940 -7.209 1.00 0.00 C ATOM 767 CD PRO A 53 8.950 -14.924 -7.899 1.00 0.00 C ATOM 0 HA PRO A 53 7.860 -17.944 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.199 -15.585 -8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.097 -16.508 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.103 -13.970 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.694 -15.169 -6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.010 -14.123 -8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.756 -14.761 -7.184 1.00 0.00 H new ATOM 775 N THR A 54 6.339 -18.416 -9.939 1.00 0.00 N ATOM 776 CA THR A 54 5.826 -19.026 -11.195 1.00 0.00 C ATOM 777 C THR A 54 4.814 -18.045 -11.847 1.00 0.00 C ATOM 778 O THR A 54 4.334 -17.109 -11.196 1.00 0.00 O ATOM 779 CB THR A 54 5.223 -20.446 -10.955 1.00 0.00 C ATOM 780 OG1 THR A 54 5.124 -21.165 -12.182 1.00 0.00 O ATOM 781 CG2 THR A 54 3.838 -20.464 -10.281 1.00 0.00 C ATOM 0 H THR A 54 5.805 -18.675 -9.110 1.00 0.00 H new ATOM 0 HA THR A 54 6.654 -19.184 -11.886 1.00 0.00 H new ATOM 0 HB THR A 54 5.921 -20.918 -10.263 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.746 -22.053 -12.011 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.506 -21.495 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.903 -19.985 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.124 -19.925 -10.903 1.00 0.00 H new ATOM 789 N LYS A 55 4.525 -18.258 -13.144 1.00 0.00 N ATOM 790 CA LYS A 55 3.663 -17.349 -13.946 1.00 0.00 C ATOM 791 C LYS A 55 2.277 -17.258 -13.250 1.00 0.00 C ATOM 792 O LYS A 55 1.738 -16.163 -13.056 1.00 0.00 O ATOM 793 CB LYS A 55 3.563 -17.855 -15.417 1.00 0.00 C ATOM 794 CG LYS A 55 4.448 -17.143 -16.470 1.00 0.00 C ATOM 795 CD LYS A 55 5.859 -17.746 -16.658 1.00 0.00 C ATOM 796 CE LYS A 55 6.177 -18.941 -15.738 1.00 0.00 C ATOM 797 NZ LYS A 55 7.623 -19.137 -15.512 1.00 0.00 N ATOM 0 H LYS A 55 4.877 -19.058 -13.670 1.00 0.00 H new ATOM 0 HA LYS A 55 4.093 -16.349 -13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.812 -18.916 -15.427 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.524 -17.769 -15.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.931 -17.163 -17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.552 -16.096 -16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.968 -18.064 -17.695 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.599 -16.965 -16.485 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.683 -18.792 -14.778 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.759 -19.848 -16.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.769 -19.955 -14.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.096 -19.308 -16.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.024 -18.286 -15.068 1.00 0.00 H new ATOM 811 N GLU A 56 1.716 -18.426 -12.883 1.00 0.00 N ATOM 812 CA GLU A 56 0.349 -18.525 -12.308 1.00 0.00 C ATOM 813 C GLU A 56 0.363 -17.886 -10.893 1.00 0.00 C ATOM 814 O GLU A 56 -0.571 -17.170 -10.513 1.00 0.00 O ATOM 815 CB GLU A 56 -0.135 -20.004 -12.318 1.00 0.00 C ATOM 816 CG GLU A 56 -0.616 -20.564 -13.678 1.00 0.00 C ATOM 817 CD GLU A 56 -0.864 -19.492 -14.745 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.117 -18.981 -15.329 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.041 -19.155 -15.002 1.00 0.00 O ATOM 0 H GLU A 56 2.189 -19.325 -12.973 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.372 -17.974 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.680 -20.632 -11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.951 -20.101 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.127 -21.268 -14.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.537 -21.126 -13.522 1.00 0.00 H new ATOM 826 N GLU A 57 1.435 -18.159 -10.124 1.00 0.00 N ATOM 827 CA GLU A 57 1.549 -17.715 -8.709 1.00 0.00 C ATOM 828 C GLU A 57 1.460 -16.165 -8.657 1.00 0.00 C ATOM 829 O GLU A 57 0.889 -15.596 -7.719 1.00 0.00 O ATOM 830 CB GLU A 57 2.846 -18.263 -8.044 1.00 0.00 C ATOM 831 CG GLU A 57 2.871 -19.758 -7.640 1.00 0.00 C ATOM 832 CD GLU A 57 3.318 -20.012 -6.197 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.569 -19.656 -5.261 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.419 -20.571 -5.994 1.00 0.00 O ATOM 0 H GLU A 57 2.242 -18.688 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 57 0.723 -18.126 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.675 -18.087 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.041 -17.671 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.874 -20.177 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.539 -20.294 -8.315 1.00 0.00 H new ATOM 841 N LEU A 58 2.043 -15.499 -9.671 1.00 0.00 N ATOM 842 CA LEU A 58 2.063 -14.014 -9.760 1.00 0.00 C ATOM 843 C LEU A 58 0.625 -13.511 -10.062 1.00 0.00 C ATOM 844 O LEU A 58 0.213 -12.450 -9.578 1.00 0.00 O ATOM 845 CB LEU A 58 3.114 -13.593 -10.828 1.00 0.00 C ATOM 846 CG LEU A 58 4.367 -12.829 -10.312 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.661 -13.214 -11.059 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.146 -11.306 -10.401 1.00 0.00 C ATOM 0 H LEU A 58 2.512 -15.964 -10.449 1.00 0.00 H new ATOM 0 HA LEU A 58 2.365 -13.552 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.452 -14.491 -11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.615 -12.968 -11.568 1.00 0.00 H new ATOM 0 HG LEU A 58 4.498 -13.124 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.498 -12.647 -10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.850 -14.280 -10.934 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.550 -12.987 -12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.033 -10.788 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.963 -11.025 -11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.286 -11.027 -9.792 1.00 0.00 H new ATOM 860 N ASP A 59 -0.129 -14.300 -10.850 1.00 0.00 N ATOM 861 CA ASP A 59 -1.495 -13.930 -11.308 1.00 0.00 C ATOM 862 C ASP A 59 -2.437 -13.861 -10.076 1.00 0.00 C ATOM 863 O ASP A 59 -3.410 -13.096 -10.069 1.00 0.00 O ATOM 864 CB ASP A 59 -2.015 -14.905 -12.405 1.00 0.00 C ATOM 865 CG ASP A 59 -3.345 -14.519 -13.075 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.416 -14.765 -12.478 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.320 -13.964 -14.196 1.00 0.00 O ATOM 0 H ASP A 59 0.184 -15.210 -11.190 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.468 -12.947 -11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.252 -14.990 -13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.129 -15.894 -11.960 1.00 0.00 H new ATOM 872 N ALA A 60 -2.153 -14.688 -9.053 1.00 0.00 N ATOM 873 CA ALA A 60 -2.964 -14.748 -7.807 1.00 0.00 C ATOM 874 C ALA A 60 -2.725 -13.471 -6.955 1.00 0.00 C ATOM 875 O ALA A 60 -3.627 -13.002 -6.253 1.00 0.00 O ATOM 876 CB ALA A 60 -2.605 -16.031 -7.033 1.00 0.00 C ATOM 0 H ALA A 60 -1.362 -15.332 -9.059 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.026 -14.782 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.196 -16.082 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.820 -16.902 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.545 -16.019 -6.780 1.00 0.00 H new ATOM 882 N ILE A 61 -1.488 -12.943 -7.011 1.00 0.00 N ATOM 883 CA ILE A 61 -1.054 -11.784 -6.185 1.00 0.00 C ATOM 884 C ILE A 61 -1.818 -10.547 -6.734 1.00 0.00 C ATOM 885 O ILE A 61 -2.228 -9.669 -5.964 1.00 0.00 O ATOM 886 CB ILE A 61 0.514 -11.635 -6.161 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.170 -12.341 -4.931 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.973 -10.153 -6.229 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.086 -11.463 -4.063 1.00 0.00 C ATOM 0 H ILE A 61 -0.758 -13.302 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.304 -11.916 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 61 0.861 -12.140 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.376 -12.740 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.749 -13.192 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.062 -10.108 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.608 -9.701 -7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.572 -9.608 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.485 -12.056 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.909 -11.084 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.515 -10.625 -3.663 1.00 0.00 H new ATOM 901 N ILE A 62 -1.982 -10.482 -8.068 1.00 0.00 N ATOM 902 CA ILE A 62 -2.588 -9.320 -8.773 1.00 0.00 C ATOM 903 C ILE A 62 -4.126 -9.431 -8.584 1.00 0.00 C ATOM 904 O ILE A 62 -4.826 -8.409 -8.567 1.00 0.00 O ATOM 905 CB ILE A 62 -2.112 -9.232 -10.272 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.626 -8.767 -10.406 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.031 -8.329 -11.138 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.296 -7.927 -11.650 1.00 0.00 C ATOM 0 H ILE A 62 -1.699 -11.234 -8.697 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.254 -8.373 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.182 -10.251 -10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.365 -8.188 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.012 -9.651 -10.408 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.657 -8.304 -12.161 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.045 -8.729 -11.132 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.038 -7.318 -10.729 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.761 -7.661 -11.639 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.515 -8.505 -12.548 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.899 -7.019 -11.646 1.00 0.00 H new ATOM 920 N GLU A 63 -4.644 -10.669 -8.475 1.00 0.00 N ATOM 921 CA GLU A 63 -6.100 -10.928 -8.294 1.00 0.00 C ATOM 922 C GLU A 63 -6.623 -10.070 -7.109 1.00 0.00 C ATOM 923 O GLU A 63 -7.789 -9.653 -7.103 1.00 0.00 O ATOM 924 CB GLU A 63 -6.365 -12.452 -8.114 1.00 0.00 C ATOM 925 CG GLU A 63 -7.711 -12.847 -7.462 1.00 0.00 C ATOM 926 CD GLU A 63 -8.945 -12.402 -8.252 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.876 -12.342 -9.500 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.991 -12.114 -7.629 1.00 0.00 O ATOM 0 H GLU A 63 -4.077 -11.517 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.654 -10.631 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.309 -12.926 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.559 -12.870 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.740 -13.930 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.758 -12.415 -6.462 1.00 0.00 H new ATOM 935 N GLU A 64 -5.763 -9.840 -6.100 1.00 0.00 N ATOM 936 CA GLU A 64 -6.148 -9.149 -4.840 1.00 0.00 C ATOM 937 C GLU A 64 -6.295 -7.625 -5.110 1.00 0.00 C ATOM 938 O GLU A 64 -7.392 -7.145 -5.419 1.00 0.00 O ATOM 939 CB GLU A 64 -5.123 -9.479 -3.715 1.00 0.00 C ATOM 940 CG GLU A 64 -5.415 -10.738 -2.864 1.00 0.00 C ATOM 941 CD GLU A 64 -5.549 -10.463 -1.363 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.963 -9.472 -0.874 1.00 0.00 O ATOM 943 OE2 GLU A 64 -6.244 -11.236 -0.666 1.00 0.00 O ATOM 0 H GLU A 64 -4.784 -10.124 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.116 -9.507 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.140 -9.596 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.063 -8.621 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.336 -11.199 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.615 -11.462 -3.020 1.00 0.00 H new ATOM 950 N VAL A 65 -5.187 -6.878 -4.954 1.00 0.00 N ATOM 951 CA VAL A 65 -5.165 -5.393 -5.044 1.00 0.00 C ATOM 952 C VAL A 65 -5.954 -4.966 -6.311 1.00 0.00 C ATOM 953 O VAL A 65 -6.542 -3.875 -6.344 1.00 0.00 O ATOM 954 CB VAL A 65 -3.698 -4.827 -5.001 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.622 -5.813 -5.522 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.548 -3.496 -5.776 1.00 0.00 C ATOM 0 H VAL A 65 -4.271 -7.284 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.655 -4.958 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.524 -4.660 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.639 -5.346 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.633 -6.718 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.835 -6.069 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.516 -3.152 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.815 -3.652 -6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.208 -2.745 -5.341 1.00 0.00 H new ATOM 966 N ASP A 66 -5.959 -5.823 -7.349 1.00 0.00 N ATOM 967 CA ASP A 66 -6.668 -5.546 -8.627 1.00 0.00 C ATOM 968 C ASP A 66 -8.136 -6.036 -8.505 1.00 0.00 C ATOM 969 O ASP A 66 -8.506 -7.078 -9.059 1.00 0.00 O ATOM 970 CB ASP A 66 -5.926 -6.177 -9.842 1.00 0.00 C ATOM 971 CG ASP A 66 -6.045 -5.420 -11.176 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.177 -5.064 -11.572 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.007 -5.187 -11.833 1.00 0.00 O ATOM 0 H ASP A 66 -5.478 -6.722 -7.333 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.677 -4.472 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.869 -6.265 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.304 -7.189 -9.987 1.00 0.00 H new ATOM 978 N GLU A 67 -8.961 -5.267 -7.772 1.00 0.00 N ATOM 979 CA GLU A 67 -10.388 -5.588 -7.512 1.00 0.00 C ATOM 980 C GLU A 67 -11.268 -5.019 -8.658 1.00 0.00 C ATOM 981 O GLU A 67 -12.467 -4.762 -8.449 1.00 0.00 O ATOM 982 CB GLU A 67 -10.805 -5.051 -6.108 1.00 0.00 C ATOM 983 CG GLU A 67 -12.093 -5.650 -5.496 1.00 0.00 C ATOM 984 CD GLU A 67 -11.849 -6.833 -4.554 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.816 -7.522 -4.702 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.688 -7.075 -3.658 1.00 0.00 O ATOM 0 H GLU A 67 -8.659 -4.395 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.535 -6.668 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.983 -5.231 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.931 -3.971 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.620 -4.868 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.750 -5.973 -6.304 1.00 0.00 H new ATOM 993 N ASP A 68 -10.691 -4.817 -9.856 1.00 0.00 N ATOM 994 CA ASP A 68 -11.404 -4.231 -11.023 1.00 0.00 C ATOM 995 C ASP A 68 -11.650 -5.349 -12.071 1.00 0.00 C ATOM 996 O ASP A 68 -12.794 -5.624 -12.455 1.00 0.00 O ATOM 997 CB ASP A 68 -10.634 -3.014 -11.614 1.00 0.00 C ATOM 998 CG ASP A 68 -9.442 -2.502 -10.788 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.632 -2.159 -9.600 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.315 -2.436 -11.327 1.00 0.00 O ATOM 0 H ASP A 68 -9.718 -5.053 -10.050 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.369 -3.838 -10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.273 -3.285 -12.606 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.339 -2.193 -11.745 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.555 -5.970 -12.556 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.630 -7.030 -13.593 1.00 0.00 C ATOM 1007 C GLY A 69 -9.479 -6.871 -14.620 1.00 0.00 C ATOM 1008 O GLY A 69 -9.009 -7.859 -15.199 1.00 0.00 O ATOM 0 H GLY A 69 -9.606 -5.758 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.572 -8.011 -13.122 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.591 -6.978 -14.105 1.00 0.00 H new ATOM 1012 N SER A 70 -9.041 -5.617 -14.837 1.00 0.00 N ATOM 1013 CA SER A 70 -8.009 -5.272 -15.850 1.00 0.00 C ATOM 1014 C SER A 70 -6.803 -6.242 -15.730 1.00 0.00 C ATOM 1015 O SER A 70 -6.459 -6.954 -16.682 1.00 0.00 O ATOM 1016 CB SER A 70 -7.593 -3.793 -15.676 1.00 0.00 C ATOM 1017 OG SER A 70 -7.307 -3.491 -14.314 1.00 0.00 O ATOM 0 H SER A 70 -9.388 -4.810 -14.319 1.00 0.00 H new ATOM 0 HA SER A 70 -8.415 -5.387 -16.855 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.715 -3.586 -16.288 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.392 -3.144 -16.034 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.184 -6.283 -14.533 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.039 -7.186 -14.254 1.00 0.00 C ATOM 1025 C GLY A 71 -3.716 -6.379 -14.206 1.00 0.00 C ATOM 1026 O GLY A 71 -2.800 -6.711 -13.443 1.00 0.00 O ATOM 0 H GLY A 71 -6.455 -5.702 -13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.195 -7.699 -13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.977 -7.954 -15.025 1.00 0.00 H new ATOM 1030 N THR A 72 -3.637 -5.318 -15.033 1.00 0.00 N ATOM 1031 CA THR A 72 -2.467 -4.402 -15.081 1.00 0.00 C ATOM 1032 C THR A 72 -2.699 -3.243 -14.075 1.00 0.00 C ATOM 1033 O THR A 72 -3.841 -2.824 -13.845 1.00 0.00 O ATOM 1034 CB THR A 72 -2.176 -3.896 -16.529 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.368 -3.413 -17.143 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.544 -4.937 -17.473 1.00 0.00 C ATOM 0 H THR A 72 -4.378 -5.067 -15.688 1.00 0.00 H new ATOM 0 HA THR A 72 -1.570 -4.946 -14.785 1.00 0.00 H new ATOM 0 HB THR A 72 -1.441 -3.103 -16.390 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.165 -3.099 -18.049 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.381 -4.488 -18.453 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.590 -5.268 -17.063 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.213 -5.792 -17.572 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.608 -2.750 -13.456 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.653 -1.643 -12.464 1.00 0.00 C ATOM 1046 C ILE A 73 -1.249 -0.353 -13.228 1.00 0.00 C ATOM 1047 O ILE A 73 -0.056 -0.049 -13.362 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.776 -1.960 -11.193 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.394 -3.082 -10.298 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.488 -0.697 -10.337 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.398 -3.881 -9.441 1.00 0.00 C ATOM 0 H ILE A 73 -0.667 -3.105 -13.626 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.651 -1.508 -12.048 1.00 0.00 H new ATOM 0 HB ILE A 73 0.172 -2.327 -11.586 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.131 -2.627 -9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.931 -3.779 -10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.119 -0.973 -9.475 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.048 0.036 -10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.429 -0.267 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.936 -4.631 -8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.326 -4.374 -10.089 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.123 -3.205 -8.763 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.252 0.412 -13.698 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.025 1.678 -14.445 1.00 0.00 C ATOM 1065 C ASP A 74 -1.382 2.723 -13.491 1.00 0.00 C ATOM 1066 O ASP A 74 -1.070 2.430 -12.327 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.337 2.198 -15.102 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.342 1.123 -15.549 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.220 0.614 -16.686 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.259 0.790 -14.767 1.00 0.00 O ATOM 0 H ASP A 74 -3.237 0.179 -13.576 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.335 1.494 -15.268 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.836 2.861 -14.395 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.070 2.801 -15.970 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.158 3.946 -14.011 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.535 5.055 -13.237 1.00 0.00 C ATOM 1077 C PHE A 75 -1.588 5.612 -12.241 1.00 0.00 C ATOM 1078 O PHE A 75 -1.266 5.931 -11.091 1.00 0.00 O ATOM 1079 CB PHE A 75 0.007 6.157 -14.194 1.00 0.00 C ATOM 1080 CG PHE A 75 0.675 7.361 -13.499 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.242 7.216 -12.227 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.710 8.613 -14.125 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.829 8.307 -11.590 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.298 9.702 -13.486 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.860 9.547 -12.222 1.00 0.00 C ATOM 0 H PHE A 75 -1.399 4.199 -14.969 1.00 0.00 H new ATOM 0 HA PHE A 75 0.322 4.687 -12.673 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.729 5.703 -14.872 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.818 6.523 -14.805 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.224 6.254 -11.737 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.279 8.735 -15.108 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.260 8.191 -10.606 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.318 10.667 -13.971 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.321 10.391 -11.730 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.847 5.721 -12.706 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.960 6.303 -11.912 1.00 0.00 C ATOM 1097 C GLU A 76 -4.225 5.404 -10.673 1.00 0.00 C ATOM 1098 O GLU A 76 -4.358 5.902 -9.549 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.230 6.506 -12.789 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.027 6.735 -14.307 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.815 8.201 -14.699 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.720 9.029 -14.456 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -3.740 8.530 -15.248 1.00 0.00 O ATOM 0 H GLU A 76 -3.126 5.412 -13.637 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.680 7.295 -11.557 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.867 5.631 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.779 7.359 -12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.166 6.154 -14.639 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.896 6.350 -14.840 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.267 4.078 -10.900 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.553 3.073 -9.842 1.00 0.00 C ATOM 1112 C GLU A 77 -3.316 2.939 -8.912 1.00 0.00 C ATOM 1113 O GLU A 77 -3.453 2.652 -7.717 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.969 1.701 -10.448 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.353 0.441 -9.794 1.00 0.00 C ATOM 1116 CD GLU A 77 -4.600 -0.836 -10.601 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.859 -0.740 -11.821 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.541 -1.941 -10.019 1.00 0.00 O ATOM 0 H GLU A 77 -4.105 3.667 -11.819 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.402 3.417 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.054 1.618 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.704 1.701 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.279 0.588 -9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.769 0.318 -8.794 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.114 3.147 -9.482 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.832 3.055 -8.734 1.00 0.00 C ATOM 1127 C PHE A 78 -0.935 3.938 -7.460 1.00 0.00 C ATOM 1128 O PHE A 78 -0.632 3.485 -6.351 1.00 0.00 O ATOM 1129 CB PHE A 78 0.364 3.463 -9.648 1.00 0.00 C ATOM 1130 CG PHE A 78 1.758 3.329 -9.001 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.944 2.524 -7.870 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.850 4.028 -9.530 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.204 2.414 -7.286 1.00 0.00 C ATOM 1134 CE2 PHE A 78 4.109 3.914 -8.945 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.285 3.107 -7.825 1.00 0.00 C ATOM 0 H PHE A 78 -1.997 3.383 -10.468 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.646 2.027 -8.424 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.338 2.850 -10.549 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.224 4.497 -9.962 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.107 1.986 -7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.715 4.659 -10.396 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.343 1.791 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.948 4.452 -9.361 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.262 3.018 -7.373 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.338 5.208 -7.648 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.399 6.217 -6.557 1.00 0.00 C ATOM 1147 C LEU A 79 -2.572 5.851 -5.605 1.00 0.00 C ATOM 1148 O LEU A 79 -2.546 6.211 -4.421 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.559 7.654 -7.139 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.264 8.391 -7.591 1.00 0.00 C ATOM 1151 CD1 LEU A 79 0.067 8.147 -9.078 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.358 9.905 -7.316 1.00 0.00 C ATOM 0 H LEU A 79 -1.631 5.570 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.467 6.208 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.231 7.598 -7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.052 8.269 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 79 0.548 7.971 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.979 8.683 -9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.212 7.080 -9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.756 8.505 -9.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.561 10.392 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.204 10.322 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.498 10.073 -6.248 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.601 5.164 -6.135 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.798 4.751 -5.353 1.00 0.00 C ATOM 1166 C VAL A 80 -4.337 3.769 -4.241 1.00 0.00 C ATOM 1167 O VAL A 80 -4.955 3.703 -3.170 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.929 4.169 -6.275 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.109 3.572 -5.472 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.505 5.185 -7.293 1.00 0.00 C ATOM 0 H VAL A 80 -3.633 4.877 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.254 5.619 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.418 3.380 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.860 3.185 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.746 2.762 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.554 4.347 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.280 4.703 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.934 6.033 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.708 5.535 -7.948 1.00 0.00 H new ATOM 1180 N MET A 81 -3.275 2.990 -4.518 1.00 0.00 N ATOM 1181 CA MET A 81 -2.721 1.990 -3.565 1.00 0.00 C ATOM 1182 C MET A 81 -2.202 2.741 -2.307 1.00 0.00 C ATOM 1183 O MET A 81 -2.604 2.433 -1.179 1.00 0.00 O ATOM 1184 CB MET A 81 -1.611 1.127 -4.229 1.00 0.00 C ATOM 1185 CG MET A 81 -0.693 0.354 -3.263 1.00 0.00 C ATOM 1186 SD MET A 81 -1.675 -0.754 -2.227 1.00 0.00 S ATOM 1187 CE MET A 81 -1.871 -2.177 -3.319 1.00 0.00 C ATOM 0 H MET A 81 -2.772 3.030 -5.405 1.00 0.00 H new ATOM 0 HA MET A 81 -3.505 1.294 -3.266 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.086 0.411 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.991 1.778 -4.846 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.042 -0.220 -3.828 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.139 1.054 -2.637 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.918 -2.481 -3.336 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.555 -1.908 -4.327 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.259 -3.002 -2.954 1.00 0.00 H new ATOM 1197 N MET A 82 -1.282 3.701 -2.519 1.00 0.00 N ATOM 1198 CA MET A 82 -0.601 4.429 -1.414 1.00 0.00 C ATOM 1199 C MET A 82 -1.628 5.287 -0.625 1.00 0.00 C ATOM 1200 O MET A 82 -1.455 5.528 0.577 1.00 0.00 O ATOM 1201 CB MET A 82 0.561 5.289 -1.986 1.00 0.00 C ATOM 1202 CG MET A 82 1.907 4.560 -2.166 1.00 0.00 C ATOM 1203 SD MET A 82 3.041 4.950 -0.813 1.00 0.00 S ATOM 1204 CE MET A 82 2.370 3.947 0.528 1.00 0.00 C ATOM 0 H MET A 82 -0.987 3.997 -3.449 1.00 0.00 H new ATOM 0 HA MET A 82 -0.170 3.713 -0.714 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.252 5.687 -2.953 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.716 6.142 -1.325 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.739 3.484 -2.206 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.356 4.848 -3.116 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.074 3.934 1.360 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.423 4.371 0.861 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.207 2.929 0.175 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.682 5.758 -1.317 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.689 6.693 -0.745 1.00 0.00 C ATOM 1216 C VAL A 83 -4.595 5.878 0.217 1.00 0.00 C ATOM 1217 O VAL A 83 -5.004 6.379 1.272 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.480 7.457 -1.867 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.012 7.269 -1.758 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.186 8.976 -1.934 1.00 0.00 C ATOM 0 H VAL A 83 -2.866 5.506 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.202 7.485 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.113 6.996 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.504 7.820 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.256 6.210 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.357 7.645 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.773 9.425 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.452 9.440 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.125 9.133 -2.130 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.903 4.625 -0.165 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.849 3.750 0.580 1.00 0.00 C ATOM 1232 C ARG A 84 -5.347 3.633 2.044 1.00 0.00 C ATOM 1233 O ARG A 84 -6.116 3.836 2.993 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.956 2.356 -0.100 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.293 2.091 -0.833 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.118 1.258 -2.116 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.404 0.676 -2.576 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.950 -0.458 -2.090 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.189 -1.456 -1.664 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -10.265 -0.609 -2.024 1.00 0.00 N ATOM 0 H ARG A 84 -4.508 4.184 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.850 4.182 0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.140 2.253 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.815 1.586 0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.974 1.572 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.758 3.044 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.701 1.886 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.401 0.457 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.911 1.168 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.173 -1.374 -1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.619 -2.306 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.881 0.139 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.661 -1.473 -1.654 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.060 3.276 2.212 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.451 3.044 3.549 1.00 0.00 C ATOM 1256 C GLN A 85 -3.540 4.363 4.364 1.00 0.00 C ATOM 1257 O GLN A 85 -3.728 4.337 5.586 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.991 2.531 3.393 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.876 3.603 3.335 1.00 0.00 C ATOM 1260 CD GLN A 85 0.293 3.365 4.307 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.292 2.414 5.089 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.312 4.212 4.280 1.00 0.00 N ATOM 0 H GLN A 85 -3.412 3.139 1.436 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.992 2.270 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.775 1.862 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.936 1.935 2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.484 3.645 2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.316 4.577 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.305 4.997 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.103 4.078 4.910 1.00 0.00 H new ATOM 1271 N MET A 86 -3.419 5.507 3.664 1.00 0.00 N ATOM 1272 CA MET A 86 -3.391 6.851 4.299 1.00 0.00 C ATOM 1273 C MET A 86 -4.735 7.054 5.051 1.00 0.00 C ATOM 1274 O MET A 86 -4.773 7.684 6.115 1.00 0.00 O ATOM 1275 CB MET A 86 -3.130 7.969 3.251 1.00 0.00 C ATOM 1276 CG MET A 86 -1.813 8.752 3.418 1.00 0.00 C ATOM 1277 SD MET A 86 -2.128 10.527 3.297 1.00 0.00 S ATOM 1278 CE MET A 86 -3.090 10.612 1.772 1.00 0.00 C ATOM 0 H MET A 86 -3.338 5.533 2.648 1.00 0.00 H new ATOM 0 HA MET A 86 -2.567 6.913 5.009 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.140 7.519 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.958 8.676 3.289 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.362 8.519 4.383 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.100 8.448 2.652 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.875 11.361 1.878 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.436 10.887 0.944 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.540 9.640 1.571 1.00 0.00 H new ATOM 1288 N LYS A 87 -5.831 6.536 4.466 1.00 0.00 N ATOM 1289 CA LYS A 87 -7.208 6.732 4.993 1.00 0.00 C ATOM 1290 C LYS A 87 -7.250 6.226 6.460 1.00 0.00 C ATOM 1291 O LYS A 87 -6.291 5.614 6.945 1.00 0.00 O ATOM 1292 CB LYS A 87 -8.270 5.979 4.143 1.00 0.00 C ATOM 1293 CG LYS A 87 -8.648 6.650 2.802 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.070 8.130 2.908 1.00 0.00 C ATOM 1295 CE LYS A 87 -10.461 8.452 2.326 1.00 0.00 C ATOM 1296 NZ LYS A 87 -11.492 7.548 2.864 1.00 0.00 N ATOM 0 H LYS A 87 -5.795 5.971 3.618 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.451 7.793 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.898 4.976 3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.175 5.866 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.797 6.578 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.464 6.087 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.055 8.423 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.327 8.742 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.724 9.484 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.431 8.367 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.413 8.031 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.548 6.694 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.244 7.279 3.838 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.374 6.491 7.153 1.00 0.00 N ATOM 1311 CA GLU A 88 -8.574 6.076 8.567 1.00 0.00 C ATOM 1312 C GLU A 88 -8.209 4.572 8.694 1.00 0.00 C ATOM 1313 O GLU A 88 -7.685 4.133 9.725 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.023 6.407 9.027 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.166 5.961 8.085 1.00 0.00 C ATOM 1316 CD GLU A 88 -12.045 4.841 8.650 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.653 3.657 8.554 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -13.133 5.140 9.191 1.00 0.00 O ATOM 0 H GLU A 88 -9.168 6.995 6.758 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.918 6.633 9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.185 5.946 10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.098 7.485 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.795 6.823 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.735 5.628 7.141 1.00 0.00 H new ATOM 1325 N ASP A 89 -8.523 3.792 7.643 1.00 0.00 N ATOM 1326 CA ASP A 89 -8.181 2.346 7.573 1.00 0.00 C ATOM 1327 C ASP A 89 -6.699 2.163 7.997 1.00 0.00 C ATOM 1328 O ASP A 89 -5.885 3.084 7.863 1.00 0.00 O ATOM 1329 CB ASP A 89 -8.480 1.752 6.166 1.00 0.00 C ATOM 1330 CG ASP A 89 -9.875 2.048 5.589 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -10.819 1.271 5.858 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -10.030 3.058 4.868 1.00 0.00 O ATOM 0 H ASP A 89 -9.018 4.137 6.820 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.812 1.787 8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.733 2.130 5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.352 0.671 6.216 1.00 0.00 H new ATOM 1337 N ALA A 90 -6.376 0.972 8.535 1.00 0.00 N ATOM 1338 CA ALA A 90 -5.006 0.636 9.004 1.00 0.00 C ATOM 1339 C ALA A 90 -4.772 1.306 10.371 1.00 0.00 C ATOM 1340 O ALA A 90 -3.622 1.212 10.901 1.00 0.00 O ATOM 1341 CB ALA A 90 -3.951 1.062 7.961 1.00 0.00 C ATOM 1342 OXT ALA A 90 -5.719 1.932 10.941 1.00 0.00 O ATOM 0 H ALA A 90 -7.049 0.215 8.659 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.907 -0.443 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.956 0.807 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.138 0.543 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.013 2.138 7.799 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.466 -1.968 -19.412 1.00 0.00 CA HETATM 1350 CA CA A 92 -5.888 -3.059 -12.206 1.00 0.00 CA