USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 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 Set 1.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 7 GLN : amide:sc= -2.63! C(o=-2.6!,f=-3.4!) 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 -151:sc= -0.699 (180deg=-4.39!) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 SER OG : rot 180:sc= -0.415 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= -0.288 (180deg=-1.73!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 150:sc= -1.29 USER MOD Single : A 46 MET CE :methyl -171:sc= 0 (180deg=-0.016) USER MOD Single : A 48 MET CE :methyl -169:sc= -1.3 (180deg=-1.5) USER MOD Single : A 51 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.9) 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 70 SER OG : rot 10:sc= 0.0343 USER MOD Single : A 72 THR OG1 : rot 101:sc= 0.127! USER MOD Single : A 81 MET CE :methyl 156:sc= -4.3 (180deg=-6.76!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.14) USER MOD Single : A 86 MET CE :methyl -134:sc= 0 (180deg=-2.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.249 -6.752 -8.536 1.00 0.00 N ATOM 2 CA ALA A 1 -12.739 -6.788 -8.515 1.00 0.00 C ATOM 3 C ALA A 1 -13.272 -5.508 -7.867 1.00 0.00 C ATOM 4 O ALA A 1 -14.029 -4.769 -8.464 1.00 0.00 O ATOM 5 CB ALA A 1 -13.208 -7.999 -7.708 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.887 -7.622 -8.976 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.929 -5.928 -9.084 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.890 -6.681 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.114 -6.863 -9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.298 -8.026 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.829 -8.912 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.832 -7.924 -6.688 1.00 0.00 H new ATOM 13 N SER A 2 -12.884 -5.242 -6.649 1.00 0.00 N ATOM 14 CA SER A 2 -13.373 -4.010 -5.967 1.00 0.00 C ATOM 15 C SER A 2 -12.497 -3.716 -4.750 1.00 0.00 C ATOM 16 O SER A 2 -11.830 -2.701 -4.683 1.00 0.00 O ATOM 17 CB SER A 2 -14.817 -4.223 -5.513 1.00 0.00 C ATOM 18 OG SER A 2 -15.457 -2.960 -5.379 1.00 0.00 O ATOM 0 H SER A 2 -12.252 -5.823 -6.098 1.00 0.00 H new ATOM 0 HA SER A 2 -13.326 -3.169 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.351 -4.840 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.837 -4.757 -4.563 1.00 0.00 H new ATOM 0 HG SER A 2 -16.384 -3.092 -5.090 1.00 0.00 H new ATOM 24 N MET A 3 -12.493 -4.594 -3.784 1.00 0.00 N ATOM 25 CA MET A 3 -11.661 -4.360 -2.572 1.00 0.00 C ATOM 26 C MET A 3 -11.493 -5.676 -1.809 1.00 0.00 C ATOM 27 O MET A 3 -10.442 -5.962 -1.272 1.00 0.00 O ATOM 28 CB MET A 3 -12.356 -3.336 -1.673 1.00 0.00 C ATOM 29 CG MET A 3 -11.504 -3.082 -0.429 1.00 0.00 C ATOM 30 SD MET A 3 -11.157 -1.311 -0.289 1.00 0.00 S ATOM 31 CE MET A 3 -10.386 -1.103 -1.913 1.00 0.00 C ATOM 0 H MET A 3 -13.029 -5.462 -3.783 1.00 0.00 H new ATOM 0 HA MET A 3 -10.682 -3.983 -2.867 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.509 -2.404 -2.217 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.341 -3.701 -1.383 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.027 -3.433 0.461 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.571 -3.643 -0.493 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.660 -0.291 -1.870 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.881 -2.026 -2.197 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.152 -0.866 -2.652 1.00 0.00 H new ATOM 41 N THR A 4 -12.521 -6.477 -1.759 1.00 0.00 N ATOM 42 CA THR A 4 -12.421 -7.774 -1.031 1.00 0.00 C ATOM 43 C THR A 4 -11.782 -8.825 -1.944 1.00 0.00 C ATOM 44 O THR A 4 -10.895 -9.551 -1.543 1.00 0.00 O ATOM 45 CB THR A 4 -13.820 -8.237 -0.621 1.00 0.00 C ATOM 46 OG1 THR A 4 -13.711 -9.306 0.309 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.585 -8.709 -1.857 1.00 0.00 C ATOM 0 H THR A 4 -13.426 -6.290 -2.191 1.00 0.00 H new ATOM 0 HA THR A 4 -11.805 -7.645 -0.141 1.00 0.00 H new ATOM 0 HB THR A 4 -14.356 -7.408 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.607 -9.602 0.573 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.582 -9.039 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.669 -7.888 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.050 -9.538 -2.321 1.00 0.00 H new ATOM 55 N ASP A 5 -12.228 -8.911 -3.168 1.00 0.00 N ATOM 56 CA ASP A 5 -11.646 -9.915 -4.103 1.00 0.00 C ATOM 57 C ASP A 5 -10.228 -9.490 -4.486 1.00 0.00 C ATOM 58 O ASP A 5 -9.363 -10.312 -4.713 1.00 0.00 O ATOM 59 CB ASP A 5 -12.509 -10.003 -5.363 1.00 0.00 C ATOM 60 CG ASP A 5 -13.639 -11.010 -5.143 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.466 -10.764 -4.281 1.00 0.00 O ATOM 62 OD2 ASP A 5 -13.657 -12.010 -5.841 1.00 0.00 O ATOM 0 H ASP A 5 -12.969 -8.330 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.616 -10.890 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.923 -9.023 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.898 -10.307 -6.213 1.00 0.00 H new ATOM 67 N GLN A 6 -9.982 -8.210 -4.558 1.00 0.00 N ATOM 68 CA GLN A 6 -8.620 -7.734 -4.925 1.00 0.00 C ATOM 69 C GLN A 6 -7.653 -8.041 -3.781 1.00 0.00 C ATOM 70 O GLN A 6 -6.528 -8.449 -3.996 1.00 0.00 O ATOM 71 CB GLN A 6 -8.655 -6.224 -5.171 1.00 0.00 C ATOM 72 CG GLN A 6 -7.524 -5.836 -6.125 1.00 0.00 C ATOM 73 CD GLN A 6 -7.796 -4.448 -6.706 1.00 0.00 C ATOM 74 OE1 GLN A 6 -8.591 -3.699 -6.174 1.00 0.00 O ATOM 75 NE2 GLN A 6 -7.166 -4.070 -7.785 1.00 0.00 N ATOM 0 H GLN A 6 -10.666 -7.475 -4.378 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.288 -8.241 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.617 -5.936 -5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.549 -5.689 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.571 -5.839 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.445 -6.568 -6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.498 -4.698 -8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.341 -3.146 -8.181 1.00 0.00 H new ATOM 84 N GLN A 7 -8.083 -7.849 -2.565 1.00 0.00 N ATOM 85 CA GLN A 7 -7.192 -8.130 -1.405 1.00 0.00 C ATOM 86 C GLN A 7 -7.025 -9.641 -1.242 1.00 0.00 C ATOM 87 O GLN A 7 -5.987 -10.119 -0.829 1.00 0.00 O ATOM 88 CB GLN A 7 -7.811 -7.545 -0.133 1.00 0.00 C ATOM 89 CG GLN A 7 -9.210 -8.133 0.069 1.00 0.00 C ATOM 90 CD GLN A 7 -9.842 -7.532 1.326 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.367 -6.540 1.844 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.900 -8.094 1.841 1.00 0.00 N ATOM 0 H GLN A 7 -9.014 -7.509 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.217 -7.674 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.182 -7.771 0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.868 -6.459 -0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.833 -7.922 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.150 -9.217 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.298 -8.926 1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.329 -7.701 2.679 1.00 0.00 H new ATOM 101 N ALA A 8 -8.039 -10.400 -1.563 1.00 0.00 N ATOM 102 CA ALA A 8 -7.933 -11.881 -1.424 1.00 0.00 C ATOM 103 C ALA A 8 -6.825 -12.400 -2.343 1.00 0.00 C ATOM 104 O ALA A 8 -6.084 -13.299 -1.995 1.00 0.00 O ATOM 105 CB ALA A 8 -9.263 -12.529 -1.812 1.00 0.00 C ATOM 0 H ALA A 8 -8.934 -10.059 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.697 -12.132 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.184 -13.611 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.052 -12.160 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.502 -12.279 -2.846 1.00 0.00 H new ATOM 111 N GLU A 9 -6.703 -11.839 -3.516 1.00 0.00 N ATOM 112 CA GLU A 9 -5.643 -12.298 -4.457 1.00 0.00 C ATOM 113 C GLU A 9 -4.266 -12.016 -3.853 1.00 0.00 C ATOM 114 O GLU A 9 -3.494 -12.918 -3.595 1.00 0.00 O ATOM 115 CB GLU A 9 -5.778 -11.546 -5.782 1.00 0.00 C ATOM 116 CG GLU A 9 -7.093 -11.933 -6.460 1.00 0.00 C ATOM 117 CD GLU A 9 -6.885 -13.198 -7.293 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.925 -13.905 -7.032 1.00 0.00 O ATOM 119 OE2 GLU A 9 -7.689 -13.439 -8.179 1.00 0.00 O ATOM 0 H GLU A 9 -7.292 -11.082 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.752 -13.368 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.751 -10.471 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.937 -11.784 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.865 -12.102 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.440 -11.119 -7.096 1.00 0.00 H new ATOM 126 N ALA A 10 -3.953 -10.769 -3.628 1.00 0.00 N ATOM 127 CA ALA A 10 -2.626 -10.427 -3.044 1.00 0.00 C ATOM 128 C ALA A 10 -2.465 -11.130 -1.695 1.00 0.00 C ATOM 129 O ALA A 10 -1.374 -11.252 -1.174 1.00 0.00 O ATOM 130 CB ALA A 10 -2.533 -8.913 -2.846 1.00 0.00 C ATOM 0 H ALA A 10 -4.559 -9.972 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.836 -10.755 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.562 -8.661 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.647 -8.413 -3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.323 -8.585 -2.170 1.00 0.00 H new ATOM 136 N ARG A 11 -3.544 -11.591 -1.123 1.00 0.00 N ATOM 137 CA ARG A 11 -3.455 -12.284 0.193 1.00 0.00 C ATOM 138 C ARG A 11 -2.951 -13.714 -0.013 1.00 0.00 C ATOM 139 O ARG A 11 -2.248 -14.261 0.814 1.00 0.00 O ATOM 140 CB ARG A 11 -4.842 -12.321 0.837 1.00 0.00 C ATOM 141 CG ARG A 11 -4.744 -12.950 2.229 1.00 0.00 C ATOM 142 CD ARG A 11 -5.745 -12.272 3.165 1.00 0.00 C ATOM 143 NE ARG A 11 -6.596 -13.307 3.818 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.657 -12.950 4.488 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.540 -12.158 3.939 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.838 -13.384 5.704 1.00 0.00 N ATOM 0 H ARG A 11 -4.484 -11.517 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.763 -11.747 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.247 -11.312 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.528 -12.895 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.949 -14.019 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.732 -12.840 2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.216 -11.691 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.368 -11.575 2.605 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.349 -14.294 3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.399 -11.819 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.370 -11.879 4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.150 -14.003 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.668 -13.104 6.227 1.00 0.00 H new ATOM 160 N ALA A 12 -3.308 -14.326 -1.109 1.00 0.00 N ATOM 161 CA ALA A 12 -2.855 -15.722 -1.369 1.00 0.00 C ATOM 162 C ALA A 12 -1.363 -15.852 -1.053 1.00 0.00 C ATOM 163 O ALA A 12 -0.959 -16.668 -0.249 1.00 0.00 O ATOM 164 CB ALA A 12 -3.093 -16.068 -2.840 1.00 0.00 C ATOM 0 H ALA A 12 -3.895 -13.919 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.418 -16.406 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.762 -17.089 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.156 -15.982 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.531 -15.380 -3.471 1.00 0.00 H new ATOM 170 N PHE A 13 -0.540 -15.060 -1.684 1.00 0.00 N ATOM 171 CA PHE A 13 0.926 -15.149 -1.422 1.00 0.00 C ATOM 172 C PHE A 13 1.263 -14.416 -0.122 1.00 0.00 C ATOM 173 O PHE A 13 2.188 -14.772 0.580 1.00 0.00 O ATOM 174 CB PHE A 13 1.705 -14.505 -2.577 1.00 0.00 C ATOM 175 CG PHE A 13 0.888 -14.562 -3.848 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.251 -15.751 -4.221 1.00 0.00 C ATOM 177 CD2 PHE A 13 0.770 -13.423 -4.652 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.505 -15.801 -5.399 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.015 -13.471 -5.830 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.622 -14.661 -6.203 1.00 0.00 C ATOM 0 H PHE A 13 -0.818 -14.356 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 13 1.205 -16.199 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.942 -13.469 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.653 -15.024 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.342 -16.630 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.262 -12.506 -4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.997 -16.718 -5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.076 -12.592 -6.450 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.204 -14.699 -7.112 1.00 0.00 H new ATOM 190 N LEU A 14 0.522 -13.393 0.202 1.00 0.00 N ATOM 191 CA LEU A 14 0.802 -12.634 1.453 1.00 0.00 C ATOM 192 C LEU A 14 0.145 -13.339 2.641 1.00 0.00 C ATOM 193 O LEU A 14 -0.913 -12.954 3.096 1.00 0.00 O ATOM 194 CB LEU A 14 0.240 -11.216 1.323 1.00 0.00 C ATOM 195 CG LEU A 14 1.211 -10.344 0.520 1.00 0.00 C ATOM 196 CD1 LEU A 14 2.410 -9.975 1.392 1.00 0.00 C ATOM 197 CD2 LEU A 14 1.697 -11.115 -0.712 1.00 0.00 C ATOM 0 H LEU A 14 -0.266 -13.049 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 14 1.879 -12.586 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.731 -11.244 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.083 -10.785 2.312 1.00 0.00 H new ATOM 0 HG LEU A 14 0.699 -9.436 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.099 -9.355 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.067 -9.423 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.920 -10.883 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.387 -10.493 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.206 -12.025 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.844 -11.376 -1.338 1.00 0.00 H new ATOM 209 N SER A 15 0.765 -14.370 3.149 1.00 0.00 N ATOM 210 CA SER A 15 0.176 -15.097 4.308 1.00 0.00 C ATOM 211 C SER A 15 -0.294 -14.088 5.358 1.00 0.00 C ATOM 212 O SER A 15 -0.028 -12.907 5.260 1.00 0.00 O ATOM 213 CB SER A 15 1.233 -16.016 4.923 1.00 0.00 C ATOM 214 OG SER A 15 0.772 -16.487 6.183 1.00 0.00 O ATOM 0 H SER A 15 1.654 -14.739 2.811 1.00 0.00 H new ATOM 0 HA SER A 15 -0.672 -15.692 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.431 -16.857 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.173 -15.477 5.045 1.00 0.00 H new ATOM 0 HG SER A 15 1.447 -17.078 6.578 1.00 0.00 H new ATOM 220 N GLU A 16 -0.993 -14.543 6.361 1.00 0.00 N ATOM 221 CA GLU A 16 -1.482 -13.609 7.416 1.00 0.00 C ATOM 222 C GLU A 16 -0.292 -13.073 8.215 1.00 0.00 C ATOM 223 O GLU A 16 -0.338 -11.990 8.764 1.00 0.00 O ATOM 224 CB GLU A 16 -2.434 -14.355 8.354 1.00 0.00 C ATOM 225 CG GLU A 16 -3.824 -13.724 8.276 1.00 0.00 C ATOM 226 CD GLU A 16 -4.745 -14.624 7.450 1.00 0.00 C ATOM 227 OE1 GLU A 16 -4.606 -14.628 6.238 1.00 0.00 O ATOM 228 OE2 GLU A 16 -5.574 -15.293 8.044 1.00 0.00 O ATOM 0 H GLU A 16 -1.247 -15.522 6.496 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.009 -12.777 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.485 -15.408 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.061 -14.313 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.231 -13.590 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.761 -12.735 7.822 1.00 0.00 H new ATOM 235 N GLU A 17 0.773 -13.823 8.286 1.00 0.00 N ATOM 236 CA GLU A 17 1.963 -13.355 9.051 1.00 0.00 C ATOM 237 C GLU A 17 2.484 -12.052 8.441 1.00 0.00 C ATOM 238 O GLU A 17 3.057 -11.223 9.119 1.00 0.00 O ATOM 239 CB GLU A 17 3.058 -14.422 8.989 1.00 0.00 C ATOM 240 CG GLU A 17 2.602 -15.665 9.755 1.00 0.00 C ATOM 241 CD GLU A 17 3.705 -16.723 9.716 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.736 -16.455 9.122 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.500 -17.784 10.282 1.00 0.00 O ATOM 0 H GLU A 17 0.871 -14.739 7.848 1.00 0.00 H new ATOM 0 HA GLU A 17 1.682 -13.181 10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.272 -14.679 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.982 -14.035 9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.371 -15.404 10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.688 -16.062 9.314 1.00 0.00 H new ATOM 250 N MET A 18 2.287 -11.864 7.165 1.00 0.00 N ATOM 251 CA MET A 18 2.770 -10.613 6.514 1.00 0.00 C ATOM 252 C MET A 18 1.913 -9.433 6.977 1.00 0.00 C ATOM 253 O MET A 18 2.316 -8.653 7.817 1.00 0.00 O ATOM 254 CB MET A 18 2.664 -10.756 4.994 1.00 0.00 C ATOM 255 CG MET A 18 3.674 -11.797 4.506 1.00 0.00 C ATOM 256 SD MET A 18 4.913 -10.991 3.461 1.00 0.00 S ATOM 257 CE MET A 18 5.343 -12.437 2.461 1.00 0.00 C ATOM 0 H MET A 18 1.813 -12.521 6.546 1.00 0.00 H new ATOM 0 HA MET A 18 3.809 -10.437 6.791 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.654 -11.056 4.716 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.855 -9.796 4.514 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.157 -12.277 5.357 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.163 -12.580 3.945 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.107 -12.162 1.734 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.725 -13.227 3.108 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.456 -12.794 1.938 1.00 0.00 H new ATOM 267 N ILE A 19 0.733 -9.297 6.438 1.00 0.00 N ATOM 268 CA ILE A 19 -0.148 -8.169 6.851 1.00 0.00 C ATOM 269 C ILE A 19 -0.133 -8.039 8.374 1.00 0.00 C ATOM 270 O ILE A 19 -0.336 -6.973 8.920 1.00 0.00 O ATOM 271 CB ILE A 19 -1.578 -8.438 6.379 1.00 0.00 C ATOM 272 CG1 ILE A 19 -1.557 -8.868 4.911 1.00 0.00 C ATOM 273 CG2 ILE A 19 -2.413 -7.164 6.525 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.981 -10.334 4.805 1.00 0.00 C ATOM 0 H ILE A 19 0.341 -9.918 5.730 1.00 0.00 H new ATOM 0 HA ILE A 19 0.216 -7.244 6.403 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.017 -9.231 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.230 -8.240 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.558 -8.736 4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.432 -7.356 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.428 -6.857 7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.975 -6.370 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.967 -10.642 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.290 -10.955 5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.989 -10.451 5.204 1.00 0.00 H new ATOM 286 N ALA A 20 0.104 -9.120 9.066 1.00 0.00 N ATOM 287 CA ALA A 20 0.129 -9.062 10.555 1.00 0.00 C ATOM 288 C ALA A 20 1.142 -8.009 11.011 1.00 0.00 C ATOM 289 O ALA A 20 0.804 -7.067 11.699 1.00 0.00 O ATOM 290 CB ALA A 20 0.529 -10.430 11.112 1.00 0.00 C ATOM 0 H ALA A 20 0.281 -10.041 8.664 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.861 -8.794 10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.547 -10.388 12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.194 -11.180 10.790 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.519 -10.698 10.742 1.00 0.00 H new ATOM 296 N GLU A 21 2.383 -8.162 10.638 1.00 0.00 N ATOM 297 CA GLU A 21 3.415 -7.171 11.056 1.00 0.00 C ATOM 298 C GLU A 21 3.343 -5.939 10.151 1.00 0.00 C ATOM 299 O GLU A 21 3.991 -4.940 10.395 1.00 0.00 O ATOM 300 CB GLU A 21 4.805 -7.802 10.946 1.00 0.00 C ATOM 301 CG GLU A 21 5.591 -7.531 12.231 1.00 0.00 C ATOM 302 CD GLU A 21 6.232 -6.144 12.155 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.088 -5.954 11.308 1.00 0.00 O ATOM 304 OE2 GLU A 21 5.854 -5.295 12.946 1.00 0.00 O ATOM 0 H GLU A 21 2.727 -8.930 10.062 1.00 0.00 H new ATOM 0 HA GLU A 21 3.230 -6.873 12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.717 -8.876 10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.336 -7.390 10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.928 -7.590 13.094 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.360 -8.292 12.367 1.00 0.00 H new ATOM 311 N PHE A 22 2.562 -5.999 9.107 1.00 0.00 N ATOM 312 CA PHE A 22 2.453 -4.830 8.190 1.00 0.00 C ATOM 313 C PHE A 22 1.628 -3.728 8.859 1.00 0.00 C ATOM 314 O PHE A 22 1.966 -2.563 8.801 1.00 0.00 O ATOM 315 CB PHE A 22 1.768 -5.264 6.893 1.00 0.00 C ATOM 316 CG PHE A 22 1.696 -4.092 5.944 1.00 0.00 C ATOM 317 CD1 PHE A 22 2.832 -3.308 5.716 1.00 0.00 C ATOM 318 CD2 PHE A 22 0.494 -3.792 5.292 1.00 0.00 C ATOM 319 CE1 PHE A 22 2.766 -2.221 4.835 1.00 0.00 C ATOM 320 CE2 PHE A 22 0.429 -2.705 4.412 1.00 0.00 C ATOM 321 CZ PHE A 22 1.565 -1.920 4.185 1.00 0.00 C ATOM 0 H PHE A 22 1.995 -6.807 8.850 1.00 0.00 H new ATOM 0 HA PHE A 22 3.450 -4.450 7.967 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.321 -6.084 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.766 -5.635 7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.759 -3.541 6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.382 -4.398 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.643 -1.615 4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.498 -2.472 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.514 -1.081 3.507 1.00 0.00 H new ATOM 331 N LYS A 23 0.546 -4.087 9.493 1.00 0.00 N ATOM 332 CA LYS A 23 -0.301 -3.062 10.165 1.00 0.00 C ATOM 333 C LYS A 23 0.492 -2.400 11.294 1.00 0.00 C ATOM 334 O LYS A 23 0.099 -1.381 11.827 1.00 0.00 O ATOM 335 CB LYS A 23 -1.547 -3.736 10.745 1.00 0.00 C ATOM 336 CG LYS A 23 -1.140 -4.628 11.920 1.00 0.00 C ATOM 337 CD LYS A 23 -2.014 -5.882 11.936 1.00 0.00 C ATOM 338 CE LYS A 23 -1.872 -6.589 13.285 1.00 0.00 C ATOM 339 NZ LYS A 23 -2.107 -5.613 14.385 1.00 0.00 N ATOM 0 H LYS A 23 0.212 -5.047 9.575 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.598 -2.304 9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.261 -2.982 11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.044 -4.330 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.089 -4.905 11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.249 -4.084 12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.056 -5.613 11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.719 -6.553 11.129 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.586 -7.410 13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.877 -7.024 13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.525 -6.104 15.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.203 -5.182 14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.758 -4.871 14.057 1.00 0.00 H new ATOM 353 N ALA A 24 1.605 -2.971 11.665 1.00 0.00 N ATOM 354 CA ALA A 24 2.419 -2.376 12.763 1.00 0.00 C ATOM 355 C ALA A 24 2.946 -1.004 12.334 1.00 0.00 C ATOM 356 O ALA A 24 2.501 0.021 12.811 1.00 0.00 O ATOM 357 CB ALA A 24 3.600 -3.297 13.081 1.00 0.00 C ATOM 0 H ALA A 24 1.986 -3.824 11.255 1.00 0.00 H new ATOM 0 HA ALA A 24 1.795 -2.261 13.649 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.195 -2.862 13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.227 -4.272 13.394 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.220 -3.414 12.192 1.00 0.00 H new ATOM 363 N ALA A 25 3.898 -0.978 11.441 1.00 0.00 N ATOM 364 CA ALA A 25 4.460 0.325 10.985 1.00 0.00 C ATOM 365 C ALA A 25 3.423 1.079 10.151 1.00 0.00 C ATOM 366 O ALA A 25 3.514 2.278 9.969 1.00 0.00 O ATOM 367 CB ALA A 25 5.708 0.072 10.136 1.00 0.00 C ATOM 0 H ALA A 25 4.311 -1.804 11.007 1.00 0.00 H new ATOM 0 HA ALA A 25 4.723 0.925 11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.120 1.024 9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.452 -0.456 10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.442 -0.532 9.269 1.00 0.00 H new ATOM 373 N PHE A 26 2.439 0.392 9.640 1.00 0.00 N ATOM 374 CA PHE A 26 1.404 1.080 8.817 1.00 0.00 C ATOM 375 C PHE A 26 0.652 2.094 9.681 1.00 0.00 C ATOM 376 O PHE A 26 0.536 3.253 9.336 1.00 0.00 O ATOM 377 CB PHE A 26 0.414 0.050 8.268 1.00 0.00 C ATOM 378 CG PHE A 26 -0.746 0.766 7.618 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.607 1.304 6.334 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.961 0.893 8.302 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.682 1.969 5.733 1.00 0.00 C ATOM 382 CE2 PHE A 26 -3.037 1.558 7.701 1.00 0.00 C ATOM 383 CZ PHE A 26 -2.898 2.097 6.418 1.00 0.00 C ATOM 0 H PHE A 26 2.307 -0.613 9.756 1.00 0.00 H new ATOM 0 HA PHE A 26 1.889 1.596 7.988 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.909 -0.596 7.543 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.055 -0.591 9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.330 1.206 5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.068 0.478 9.293 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.574 2.383 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.974 1.655 8.228 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.727 2.612 5.955 1.00 0.00 H new ATOM 393 N ASP A 27 0.136 1.668 10.801 1.00 0.00 N ATOM 394 CA ASP A 27 -0.612 2.607 11.683 1.00 0.00 C ATOM 395 C ASP A 27 0.371 3.384 12.562 1.00 0.00 C ATOM 396 O ASP A 27 -0.019 4.067 13.488 1.00 0.00 O ATOM 397 CB ASP A 27 -1.569 1.814 12.574 1.00 0.00 C ATOM 398 CG ASP A 27 -0.770 0.827 13.427 1.00 0.00 C ATOM 399 OD1 ASP A 27 0.227 1.240 13.998 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.169 -0.324 13.496 1.00 0.00 O ATOM 0 H ASP A 27 0.200 0.709 11.144 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.177 3.306 11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.133 2.492 13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.294 1.278 11.961 1.00 0.00 H new ATOM 405 N MET A 28 1.641 3.288 12.281 1.00 0.00 N ATOM 406 CA MET A 28 2.641 4.023 13.106 1.00 0.00 C ATOM 407 C MET A 28 2.419 5.530 12.960 1.00 0.00 C ATOM 408 O MET A 28 2.109 6.216 13.914 1.00 0.00 O ATOM 409 CB MET A 28 4.054 3.669 12.638 1.00 0.00 C ATOM 410 CG MET A 28 4.948 3.430 13.856 1.00 0.00 C ATOM 411 SD MET A 28 6.671 3.284 13.323 1.00 0.00 S ATOM 412 CE MET A 28 7.432 3.579 14.938 1.00 0.00 C ATOM 0 H MET A 28 2.029 2.734 11.518 1.00 0.00 H new ATOM 0 HA MET A 28 2.523 3.738 14.152 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.029 2.778 12.011 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.460 4.476 12.028 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.844 4.253 14.563 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.639 2.522 14.375 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.517 3.534 14.843 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.141 4.564 15.303 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.098 2.817 15.642 1.00 0.00 H new ATOM 422 N PHE A 29 2.575 6.052 11.774 1.00 0.00 N ATOM 423 CA PHE A 29 2.373 7.514 11.572 1.00 0.00 C ATOM 424 C PHE A 29 0.911 7.871 11.845 1.00 0.00 C ATOM 425 O PHE A 29 0.611 8.876 12.457 1.00 0.00 O ATOM 426 CB PHE A 29 2.728 7.885 10.130 1.00 0.00 C ATOM 427 CG PHE A 29 4.213 8.141 10.022 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.100 7.514 10.906 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.704 9.004 9.035 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.476 7.752 10.803 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.079 9.242 8.932 1.00 0.00 C ATOM 432 CZ PHE A 29 6.966 8.616 9.816 1.00 0.00 C ATOM 0 H PHE A 29 2.833 5.529 10.937 1.00 0.00 H new ATOM 0 HA PHE A 29 3.016 8.066 12.258 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.438 7.080 9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.173 8.772 9.825 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.723 6.847 11.667 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.021 9.487 8.352 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.160 7.269 11.485 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.456 9.909 8.171 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.027 8.799 9.737 1.00 0.00 H new ATOM 442 N ASP A 30 -0.001 7.055 11.394 1.00 0.00 N ATOM 443 CA ASP A 30 -1.443 7.346 11.628 1.00 0.00 C ATOM 444 C ASP A 30 -1.993 6.374 12.673 1.00 0.00 C ATOM 445 O ASP A 30 -2.161 5.198 12.414 1.00 0.00 O ATOM 446 CB ASP A 30 -2.217 7.179 10.318 1.00 0.00 C ATOM 447 CG ASP A 30 -3.036 8.441 10.044 1.00 0.00 C ATOM 448 OD1 ASP A 30 -2.441 9.501 9.947 1.00 0.00 O ATOM 449 OD2 ASP A 30 -4.246 8.326 9.936 1.00 0.00 O ATOM 0 H ASP A 30 0.190 6.199 10.873 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.555 8.369 11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.525 6.996 9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.875 6.312 10.380 1.00 0.00 H new ATOM 454 N ALA A 31 -2.272 6.851 13.855 1.00 0.00 N ATOM 455 CA ALA A 31 -2.809 5.951 14.913 1.00 0.00 C ATOM 456 C ALA A 31 -4.166 6.471 15.392 1.00 0.00 C ATOM 457 O ALA A 31 -5.134 5.739 15.453 1.00 0.00 O ATOM 458 CB ALA A 31 -1.834 5.913 16.093 1.00 0.00 C ATOM 0 H ALA A 31 -2.151 7.825 14.133 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.930 4.947 14.505 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.226 5.254 16.868 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.867 5.540 15.755 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.713 6.918 16.498 1.00 0.00 H new ATOM 464 N ASP A 32 -4.248 7.728 15.734 1.00 0.00 N ATOM 465 CA ASP A 32 -5.544 8.287 16.210 1.00 0.00 C ATOM 466 C ASP A 32 -6.496 8.455 15.024 1.00 0.00 C ATOM 467 O ASP A 32 -7.700 8.473 15.181 1.00 0.00 O ATOM 468 CB ASP A 32 -5.304 9.648 16.869 1.00 0.00 C ATOM 469 CG ASP A 32 -5.923 9.653 18.268 1.00 0.00 C ATOM 470 OD1 ASP A 32 -5.565 8.791 19.053 1.00 0.00 O ATOM 471 OD2 ASP A 32 -6.743 10.517 18.529 1.00 0.00 O ATOM 0 H ASP A 32 -3.474 8.391 15.704 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.986 7.605 16.936 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.235 9.850 16.932 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.743 10.440 16.263 1.00 0.00 H new ATOM 476 N GLY A 33 -5.966 8.577 13.838 1.00 0.00 N ATOM 477 CA GLY A 33 -6.842 8.744 12.644 1.00 0.00 C ATOM 478 C GLY A 33 -7.668 7.474 12.435 1.00 0.00 C ATOM 479 O GLY A 33 -8.819 7.399 12.822 1.00 0.00 O ATOM 0 H GLY A 33 -4.965 8.568 13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.502 9.601 12.781 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.236 8.946 11.761 1.00 0.00 H new ATOM 483 N GLY A 34 -7.093 6.475 11.824 1.00 0.00 N ATOM 484 CA GLY A 34 -7.847 5.211 11.590 1.00 0.00 C ATOM 485 C GLY A 34 -6.930 4.189 10.915 1.00 0.00 C ATOM 486 O GLY A 34 -7.025 3.002 11.153 1.00 0.00 O ATOM 0 H GLY A 34 -6.134 6.479 11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.217 4.815 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.717 5.405 10.963 1.00 0.00 H new ATOM 490 N GLY A 35 -6.043 4.643 10.074 1.00 0.00 N ATOM 491 CA GLY A 35 -5.119 3.700 9.382 1.00 0.00 C ATOM 492 C GLY A 35 -5.099 4.014 7.886 1.00 0.00 C ATOM 493 O GLY A 35 -5.812 3.416 7.105 1.00 0.00 O ATOM 0 H GLY A 35 -5.918 5.627 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.115 3.788 9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.442 2.672 9.545 1.00 0.00 H new ATOM 497 N ASP A 36 -4.287 4.951 7.479 1.00 0.00 N ATOM 498 CA ASP A 36 -4.222 5.305 6.035 1.00 0.00 C ATOM 499 C ASP A 36 -3.106 6.329 5.811 1.00 0.00 C ATOM 500 O ASP A 36 -2.910 7.230 6.603 1.00 0.00 O ATOM 501 CB ASP A 36 -5.560 5.904 5.596 1.00 0.00 C ATOM 502 CG ASP A 36 -6.012 6.947 6.620 1.00 0.00 C ATOM 503 OD1 ASP A 36 -5.468 8.040 6.604 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.895 6.636 7.402 1.00 0.00 O ATOM 0 H ASP A 36 -3.666 5.486 8.085 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.016 4.409 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.460 6.364 4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.310 5.118 5.506 1.00 0.00 H new ATOM 509 N ILE A 37 -2.372 6.195 4.742 1.00 0.00 N ATOM 510 CA ILE A 37 -1.266 7.160 4.472 1.00 0.00 C ATOM 511 C ILE A 37 -1.625 8.012 3.252 1.00 0.00 C ATOM 512 O ILE A 37 -2.177 7.527 2.285 1.00 0.00 O ATOM 513 CB ILE A 37 0.041 6.407 4.192 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.071 4.952 4.665 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.190 7.090 4.935 1.00 0.00 C ATOM 516 CD1 ILE A 37 -0.260 4.921 6.181 1.00 0.00 C ATOM 0 H ILE A 37 -2.488 5.461 4.044 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.131 7.796 5.347 1.00 0.00 H new ATOM 0 HB ILE A 37 0.232 6.419 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.912 4.462 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.826 4.399 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.120 6.556 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.283 8.121 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.987 7.081 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.340 3.887 6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.595 5.395 6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.170 5.459 6.445 1.00 0.00 H new ATOM 528 N SER A 38 -1.310 9.277 3.287 1.00 0.00 N ATOM 529 CA SER A 38 -1.627 10.155 2.127 1.00 0.00 C ATOM 530 C SER A 38 -0.342 10.447 1.350 1.00 0.00 C ATOM 531 O SER A 38 0.750 10.275 1.854 1.00 0.00 O ATOM 532 CB SER A 38 -2.230 11.469 2.628 1.00 0.00 C ATOM 533 OG SER A 38 -2.740 11.279 3.942 1.00 0.00 O ATOM 0 H SER A 38 -0.847 9.740 4.069 1.00 0.00 H new ATOM 0 HA SER A 38 -2.344 9.655 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.473 12.253 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.027 11.796 1.960 1.00 0.00 H new ATOM 0 HG SER A 38 -3.126 12.119 4.268 1.00 0.00 H new ATOM 539 N THR A 39 -0.460 10.885 0.128 1.00 0.00 N ATOM 540 CA THR A 39 0.760 11.183 -0.675 1.00 0.00 C ATOM 541 C THR A 39 1.707 12.065 0.141 1.00 0.00 C ATOM 542 O THR A 39 2.914 11.958 0.036 1.00 0.00 O ATOM 543 CB THR A 39 0.364 11.913 -1.958 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.301 13.125 -1.625 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.564 11.027 -2.789 1.00 0.00 C ATOM 0 H THR A 39 -1.346 11.050 -0.349 1.00 0.00 H new ATOM 0 HA THR A 39 1.261 10.249 -0.929 1.00 0.00 H new ATOM 0 HB THR A 39 1.258 12.138 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.554 13.596 -2.446 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.845 11.550 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.050 10.100 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.460 10.798 -2.213 1.00 0.00 H new ATOM 553 N LYS A 40 1.173 12.939 0.952 1.00 0.00 N ATOM 554 CA LYS A 40 2.046 13.830 1.771 1.00 0.00 C ATOM 555 C LYS A 40 2.878 12.983 2.736 1.00 0.00 C ATOM 556 O LYS A 40 4.090 12.956 2.665 1.00 0.00 O ATOM 557 CB LYS A 40 1.178 14.804 2.568 1.00 0.00 C ATOM 558 CG LYS A 40 2.057 15.585 3.547 1.00 0.00 C ATOM 559 CD LYS A 40 1.235 16.702 4.193 1.00 0.00 C ATOM 560 CE LYS A 40 2.050 17.349 5.314 1.00 0.00 C ATOM 561 NZ LYS A 40 1.476 18.685 5.638 1.00 0.00 N ATOM 0 H LYS A 40 0.171 13.075 1.083 1.00 0.00 H new ATOM 0 HA LYS A 40 2.710 14.390 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.669 15.491 1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.405 14.259 3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.448 14.916 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.916 16.007 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.966 17.449 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.304 16.299 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.040 16.713 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.091 17.453 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.030 19.125 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.507 19.291 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.489 18.573 5.947 1.00 0.00 H new ATOM 575 N GLU A 41 2.236 12.285 3.634 1.00 0.00 N ATOM 576 CA GLU A 41 2.992 11.435 4.598 1.00 0.00 C ATOM 577 C GLU A 41 3.211 10.051 3.984 1.00 0.00 C ATOM 578 O GLU A 41 3.489 9.089 4.672 1.00 0.00 O ATOM 579 CB GLU A 41 2.190 11.302 5.897 1.00 0.00 C ATOM 580 CG GLU A 41 2.291 12.606 6.693 1.00 0.00 C ATOM 581 CD GLU A 41 1.110 12.708 7.660 1.00 0.00 C ATOM 582 OE1 GLU A 41 0.230 11.866 7.583 1.00 0.00 O ATOM 583 OE2 GLU A 41 1.107 13.627 8.463 1.00 0.00 O ATOM 0 H GLU A 41 1.222 12.267 3.741 1.00 0.00 H new ATOM 0 HA GLU A 41 3.957 11.893 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.147 11.080 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.572 10.471 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.230 12.635 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.294 13.459 6.015 1.00 0.00 H new ATOM 590 N LEU A 42 3.085 9.949 2.689 1.00 0.00 N ATOM 591 CA LEU A 42 3.281 8.638 2.012 1.00 0.00 C ATOM 592 C LEU A 42 4.761 8.463 1.663 1.00 0.00 C ATOM 593 O LEU A 42 5.346 7.424 1.900 1.00 0.00 O ATOM 594 CB LEU A 42 2.438 8.614 0.732 1.00 0.00 C ATOM 595 CG LEU A 42 2.935 7.513 -0.209 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.705 6.147 0.438 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.164 7.589 -1.528 1.00 0.00 C ATOM 0 H LEU A 42 2.853 10.724 2.068 1.00 0.00 H new ATOM 0 HA LEU A 42 2.972 7.826 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.391 8.444 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.494 9.581 0.233 1.00 0.00 H new ATOM 0 HG LEU A 42 4.000 7.649 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.059 5.363 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.251 6.094 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.641 6.009 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.515 6.806 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.100 7.452 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.327 8.563 -1.989 1.00 0.00 H new ATOM 609 N GLY A 43 5.370 9.469 1.102 1.00 0.00 N ATOM 610 CA GLY A 43 6.811 9.359 0.739 1.00 0.00 C ATOM 611 C GLY A 43 7.675 9.826 1.912 1.00 0.00 C ATOM 612 O GLY A 43 8.886 9.857 1.827 1.00 0.00 O ATOM 0 H GLY A 43 4.933 10.363 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.054 8.328 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.021 9.964 -0.143 1.00 0.00 H new ATOM 616 N THR A 44 7.063 10.188 3.007 1.00 0.00 N ATOM 617 CA THR A 44 7.854 10.652 4.181 1.00 0.00 C ATOM 618 C THR A 44 8.407 9.440 4.934 1.00 0.00 C ATOM 619 O THR A 44 9.298 9.557 5.751 1.00 0.00 O ATOM 620 CB THR A 44 6.953 11.464 5.114 1.00 0.00 C ATOM 621 OG1 THR A 44 5.763 10.732 5.375 1.00 0.00 O ATOM 622 CG2 THR A 44 6.599 12.795 4.452 1.00 0.00 C ATOM 0 H THR A 44 6.052 10.182 3.139 1.00 0.00 H new ATOM 0 HA THR A 44 8.680 11.276 3.839 1.00 0.00 H new ATOM 0 HB THR A 44 7.477 11.654 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.428 10.960 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.957 13.373 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.512 13.356 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.075 12.607 3.515 1.00 0.00 H new ATOM 630 N VAL A 45 7.887 8.275 4.660 1.00 0.00 N ATOM 631 CA VAL A 45 8.386 7.056 5.355 1.00 0.00 C ATOM 632 C VAL A 45 9.649 6.564 4.651 1.00 0.00 C ATOM 633 O VAL A 45 10.730 6.587 5.207 1.00 0.00 O ATOM 634 CB VAL A 45 7.313 5.966 5.310 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.808 4.731 6.065 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.033 6.487 5.967 1.00 0.00 C ATOM 0 H VAL A 45 7.139 8.115 3.985 1.00 0.00 H new ATOM 0 HA VAL A 45 8.613 7.291 6.395 1.00 0.00 H new ATOM 0 HB VAL A 45 7.108 5.699 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.044 3.954 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.721 4.361 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.012 4.996 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.267 5.712 5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.239 6.753 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.681 7.367 5.430 1.00 0.00 H new ATOM 646 N MET A 46 9.527 6.130 3.427 1.00 0.00 N ATOM 647 CA MET A 46 10.728 5.651 2.688 1.00 0.00 C ATOM 648 C MET A 46 11.734 6.797 2.587 1.00 0.00 C ATOM 649 O MET A 46 12.921 6.585 2.435 1.00 0.00 O ATOM 650 CB MET A 46 10.321 5.200 1.283 1.00 0.00 C ATOM 651 CG MET A 46 9.694 6.376 0.531 1.00 0.00 C ATOM 652 SD MET A 46 9.192 5.836 -1.123 1.00 0.00 S ATOM 653 CE MET A 46 7.511 5.319 -0.694 1.00 0.00 C ATOM 0 H MET A 46 8.650 6.086 2.908 1.00 0.00 H new ATOM 0 HA MET A 46 11.176 4.810 3.216 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.192 4.831 0.741 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.612 4.375 1.346 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.831 6.754 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.408 7.196 0.456 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.063 4.799 -1.541 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.544 4.651 0.166 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.912 6.196 -0.449 1.00 0.00 H new ATOM 663 N ARG A 47 11.266 8.014 2.676 1.00 0.00 N ATOM 664 CA ARG A 47 12.191 9.178 2.592 1.00 0.00 C ATOM 665 C ARG A 47 13.344 8.970 3.573 1.00 0.00 C ATOM 666 O ARG A 47 14.495 9.191 3.252 1.00 0.00 O ATOM 667 CB ARG A 47 11.433 10.458 2.954 1.00 0.00 C ATOM 668 CG ARG A 47 12.427 11.594 3.203 1.00 0.00 C ATOM 669 CD ARG A 47 12.662 11.746 4.708 1.00 0.00 C ATOM 670 NE ARG A 47 11.759 12.802 5.247 1.00 0.00 N ATOM 671 CZ ARG A 47 12.086 13.449 6.332 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.021 14.359 6.293 1.00 0.00 N ATOM 673 NH2 ARG A 47 11.477 13.186 7.457 1.00 0.00 N ATOM 0 H ARG A 47 10.282 8.251 2.803 1.00 0.00 H new ATOM 0 HA ARG A 47 12.583 9.267 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.751 10.729 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.825 10.293 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.369 11.385 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.042 12.526 2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.474 10.799 5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.702 12.009 4.900 1.00 0.00 H new ATOM 0 HE ARG A 47 10.885 13.019 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.496 14.565 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.276 14.865 7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.746 12.475 7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.732 13.691 8.305 1.00 0.00 H new ATOM 687 N MET A 48 13.045 8.539 4.768 1.00 0.00 N ATOM 688 CA MET A 48 14.126 8.312 5.767 1.00 0.00 C ATOM 689 C MET A 48 15.238 7.479 5.123 1.00 0.00 C ATOM 690 O MET A 48 16.314 7.969 4.849 1.00 0.00 O ATOM 691 CB MET A 48 13.557 7.566 6.976 1.00 0.00 C ATOM 692 CG MET A 48 12.500 8.437 7.660 1.00 0.00 C ATOM 693 SD MET A 48 11.835 7.561 9.097 1.00 0.00 S ATOM 694 CE MET A 48 10.219 7.157 8.390 1.00 0.00 C ATOM 0 H MET A 48 12.101 8.335 5.095 1.00 0.00 H new ATOM 0 HA MET A 48 14.531 9.269 6.095 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.116 6.621 6.659 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.356 7.326 7.678 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.940 9.385 7.970 1.00 0.00 H new ATOM 0 HG3 MET A 48 11.698 8.671 6.960 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.562 6.781 9.175 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.781 8.052 7.948 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.339 6.394 7.621 1.00 0.00 H new ATOM 704 N LEU A 49 14.983 6.222 4.876 1.00 0.00 N ATOM 705 CA LEU A 49 16.023 5.360 4.245 1.00 0.00 C ATOM 706 C LEU A 49 15.876 5.416 2.723 1.00 0.00 C ATOM 707 O LEU A 49 15.814 4.400 2.060 1.00 0.00 O ATOM 708 CB LEU A 49 15.848 3.915 4.718 1.00 0.00 C ATOM 709 CG LEU A 49 15.811 3.877 6.246 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.357 3.850 6.720 1.00 0.00 C ATOM 711 CD2 LEU A 49 16.530 2.620 6.740 1.00 0.00 C ATOM 0 H LEU A 49 14.100 5.755 5.084 1.00 0.00 H new ATOM 0 HA LEU A 49 17.012 5.719 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.927 3.498 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.668 3.299 4.348 1.00 0.00 H new ATOM 0 HG LEU A 49 16.307 4.762 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.330 3.823 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.842 4.743 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.861 2.964 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.505 2.591 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.032 1.736 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.566 2.637 6.401 1.00 0.00 H new ATOM 723 N GLY A 50 15.817 6.593 2.160 1.00 0.00 N ATOM 724 CA GLY A 50 15.669 6.700 0.681 1.00 0.00 C ATOM 725 C GLY A 50 16.101 8.091 0.212 1.00 0.00 C ATOM 726 O GLY A 50 17.231 8.498 0.399 1.00 0.00 O ATOM 0 H GLY A 50 15.865 7.482 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.274 5.937 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.633 6.517 0.397 1.00 0.00 H new ATOM 730 N GLN A 51 15.210 8.821 -0.400 1.00 0.00 N ATOM 731 CA GLN A 51 15.561 10.184 -0.889 1.00 0.00 C ATOM 732 C GLN A 51 14.346 11.073 -0.728 1.00 0.00 C ATOM 733 O GLN A 51 13.230 10.614 -0.869 1.00 0.00 O ATOM 734 CB GLN A 51 15.894 10.136 -2.382 1.00 0.00 C ATOM 735 CG GLN A 51 16.215 8.704 -2.818 1.00 0.00 C ATOM 736 CD GLN A 51 17.591 8.300 -2.285 1.00 0.00 C ATOM 737 OE1 GLN A 51 18.379 9.143 -1.907 1.00 0.00 O ATOM 738 NE2 GLN A 51 17.914 7.036 -2.237 1.00 0.00 N ATOM 0 H GLN A 51 14.250 8.531 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 51 16.416 10.558 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 51 15.052 10.518 -2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.745 10.785 -2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.454 8.020 -2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.200 8.632 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.252 6.328 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 51 18.828 6.756 -1.882 1.00 0.00 H new ATOM 747 N ASN A 52 14.505 12.341 -0.472 1.00 0.00 N ATOM 748 CA ASN A 52 13.275 13.143 -0.373 1.00 0.00 C ATOM 749 C ASN A 52 12.609 13.027 -1.741 1.00 0.00 C ATOM 750 O ASN A 52 13.245 13.259 -2.749 1.00 0.00 O ATOM 751 CB ASN A 52 13.623 14.605 -0.094 1.00 0.00 C ATOM 752 CG ASN A 52 13.865 14.797 1.404 1.00 0.00 C ATOM 753 OD1 ASN A 52 14.169 13.853 2.107 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.740 15.986 1.927 1.00 0.00 N ATOM 0 H ASN A 52 15.389 12.830 -0.334 1.00 0.00 H new ATOM 0 HA ASN A 52 12.628 12.797 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.512 14.892 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.812 15.253 -0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.897 16.123 2.925 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.485 16.778 1.337 1.00 0.00 H new ATOM 761 N PRO A 53 11.362 12.670 -1.751 1.00 0.00 N ATOM 762 CA PRO A 53 10.611 12.516 -2.997 1.00 0.00 C ATOM 763 C PRO A 53 9.905 13.822 -3.374 1.00 0.00 C ATOM 764 O PRO A 53 10.282 14.894 -2.942 1.00 0.00 O ATOM 765 CB PRO A 53 9.602 11.426 -2.637 1.00 0.00 C ATOM 766 CG PRO A 53 9.443 11.466 -1.094 1.00 0.00 C ATOM 767 CD PRO A 53 10.595 12.323 -0.546 1.00 0.00 C ATOM 0 HA PRO A 53 11.232 12.266 -3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.646 11.604 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.953 10.448 -2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.479 11.893 -0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.478 10.460 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.227 13.212 -0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.201 11.770 0.171 1.00 0.00 H new ATOM 775 N THR A 54 8.884 13.735 -4.180 1.00 0.00 N ATOM 776 CA THR A 54 8.148 14.962 -4.595 1.00 0.00 C ATOM 777 C THR A 54 6.649 14.745 -4.389 1.00 0.00 C ATOM 778 O THR A 54 6.202 13.645 -4.132 1.00 0.00 O ATOM 779 CB THR A 54 8.413 15.236 -6.076 1.00 0.00 C ATOM 780 OG1 THR A 54 9.814 15.271 -6.309 1.00 0.00 O ATOM 781 CG2 THR A 54 7.794 16.576 -6.470 1.00 0.00 C ATOM 0 H THR A 54 8.526 12.863 -4.571 1.00 0.00 H new ATOM 0 HA THR A 54 8.485 15.809 -3.997 1.00 0.00 H new ATOM 0 HB THR A 54 7.966 14.443 -6.676 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.983 15.445 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.985 16.768 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.719 16.545 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.237 17.372 -5.871 1.00 0.00 H new ATOM 789 N LYS A 55 5.866 15.781 -4.508 1.00 0.00 N ATOM 790 CA LYS A 55 4.400 15.620 -4.327 1.00 0.00 C ATOM 791 C LYS A 55 3.851 14.754 -5.458 1.00 0.00 C ATOM 792 O LYS A 55 2.964 13.946 -5.263 1.00 0.00 O ATOM 793 CB LYS A 55 3.725 16.992 -4.362 1.00 0.00 C ATOM 794 CG LYS A 55 2.238 16.838 -4.042 1.00 0.00 C ATOM 795 CD LYS A 55 1.430 17.824 -4.888 1.00 0.00 C ATOM 796 CE LYS A 55 0.064 17.219 -5.212 1.00 0.00 C ATOM 797 NZ LYS A 55 -0.980 17.871 -4.372 1.00 0.00 N ATOM 0 H LYS A 55 6.178 16.728 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 55 4.199 15.145 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.196 17.659 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.851 17.446 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.915 15.817 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.062 17.022 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.305 18.764 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.966 18.053 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.166 17.357 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.077 16.145 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.909 17.460 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.763 17.717 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.997 18.892 -4.570 1.00 0.00 H new ATOM 811 N GLU A 56 4.374 14.913 -6.641 1.00 0.00 N ATOM 812 CA GLU A 56 3.889 14.099 -7.786 1.00 0.00 C ATOM 813 C GLU A 56 4.639 12.766 -7.811 1.00 0.00 C ATOM 814 O GLU A 56 4.237 11.829 -8.472 1.00 0.00 O ATOM 815 CB GLU A 56 4.144 14.851 -9.095 1.00 0.00 C ATOM 816 CG GLU A 56 5.647 14.891 -9.376 1.00 0.00 C ATOM 817 CD GLU A 56 6.035 13.704 -10.260 1.00 0.00 C ATOM 818 OE1 GLU A 56 5.453 13.569 -11.324 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.907 12.951 -9.859 1.00 0.00 O ATOM 0 H GLU A 56 5.118 15.574 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 56 2.820 13.917 -7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.623 14.360 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.749 15.865 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.910 15.826 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.203 14.857 -8.439 1.00 0.00 H new ATOM 826 N GLU A 57 5.728 12.674 -7.097 1.00 0.00 N ATOM 827 CA GLU A 57 6.502 11.401 -7.083 1.00 0.00 C ATOM 828 C GLU A 57 5.665 10.304 -6.424 1.00 0.00 C ATOM 829 O GLU A 57 5.762 9.142 -6.771 1.00 0.00 O ATOM 830 CB GLU A 57 7.798 11.595 -6.294 1.00 0.00 C ATOM 831 CG GLU A 57 8.908 10.748 -6.919 1.00 0.00 C ATOM 832 CD GLU A 57 9.719 11.606 -7.893 1.00 0.00 C ATOM 833 OE1 GLU A 57 9.113 12.374 -8.621 1.00 0.00 O ATOM 834 OE2 GLU A 57 10.933 11.480 -7.894 1.00 0.00 O ATOM 0 H GLU A 57 6.114 13.424 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 57 6.742 11.113 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.084 12.647 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.649 11.308 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.558 10.350 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.477 9.894 -7.442 1.00 0.00 H new ATOM 841 N LEU A 58 4.841 10.661 -5.478 1.00 0.00 N ATOM 842 CA LEU A 58 3.995 9.640 -4.802 1.00 0.00 C ATOM 843 C LEU A 58 2.687 9.478 -5.580 1.00 0.00 C ATOM 844 O LEU A 58 1.863 8.644 -5.260 1.00 0.00 O ATOM 845 CB LEU A 58 3.692 10.092 -3.370 1.00 0.00 C ATOM 846 CG LEU A 58 4.988 10.137 -2.552 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.822 8.884 -2.829 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.795 11.379 -2.941 1.00 0.00 C ATOM 0 H LEU A 58 4.717 11.617 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 58 4.522 8.687 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.224 11.077 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.982 9.407 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 58 4.740 10.178 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.741 8.922 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.251 7.998 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.068 8.838 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.716 11.411 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.037 11.338 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.206 12.274 -2.738 1.00 0.00 H new ATOM 860 N ASP A 59 2.491 10.268 -6.602 1.00 0.00 N ATOM 861 CA ASP A 59 1.240 10.159 -7.401 1.00 0.00 C ATOM 862 C ASP A 59 1.334 8.947 -8.331 1.00 0.00 C ATOM 863 O ASP A 59 0.403 8.178 -8.456 1.00 0.00 O ATOM 864 CB ASP A 59 1.054 11.428 -8.235 1.00 0.00 C ATOM 865 CG ASP A 59 -0.428 11.604 -8.573 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.077 10.605 -8.836 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.889 12.733 -8.562 1.00 0.00 O ATOM 0 H ASP A 59 3.145 10.984 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 59 0.390 10.038 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.418 12.295 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.642 11.363 -9.151 1.00 0.00 H new ATOM 872 N ALA A 60 2.452 8.768 -8.982 1.00 0.00 N ATOM 873 CA ALA A 60 2.599 7.601 -9.897 1.00 0.00 C ATOM 874 C ALA A 60 2.159 6.334 -9.167 1.00 0.00 C ATOM 875 O ALA A 60 1.346 5.573 -9.653 1.00 0.00 O ATOM 876 CB ALA A 60 4.063 7.465 -10.321 1.00 0.00 C ATOM 0 H ALA A 60 3.267 9.378 -8.920 1.00 0.00 H new ATOM 0 HA ALA A 60 1.980 7.748 -10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.170 6.611 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.378 8.372 -10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.685 7.315 -9.439 1.00 0.00 H new ATOM 882 N ILE A 61 2.682 6.107 -7.994 1.00 0.00 N ATOM 883 CA ILE A 61 2.285 4.895 -7.223 1.00 0.00 C ATOM 884 C ILE A 61 0.881 5.111 -6.665 1.00 0.00 C ATOM 885 O ILE A 61 0.111 4.183 -6.511 1.00 0.00 O ATOM 886 CB ILE A 61 3.259 4.667 -6.061 1.00 0.00 C ATOM 887 CG1 ILE A 61 4.631 5.242 -6.414 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.395 3.169 -5.793 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.788 6.608 -5.746 1.00 0.00 C ATOM 0 H ILE A 61 3.367 6.708 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 61 2.305 4.024 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 61 2.875 5.166 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.419 4.567 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.731 5.338 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.088 3.009 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.420 2.756 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.774 2.673 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.765 7.024 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.007 7.279 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.705 6.496 -4.665 1.00 0.00 H new ATOM 901 N ILE A 62 0.543 6.335 -6.364 1.00 0.00 N ATOM 902 CA ILE A 62 -0.810 6.621 -5.819 1.00 0.00 C ATOM 903 C ILE A 62 -1.801 6.788 -6.975 1.00 0.00 C ATOM 904 O ILE A 62 -2.946 7.141 -6.780 1.00 0.00 O ATOM 905 CB ILE A 62 -0.764 7.911 -4.994 1.00 0.00 C ATOM 906 CG1 ILE A 62 0.012 7.659 -3.700 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.188 8.356 -4.655 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.824 6.782 -2.765 1.00 0.00 C ATOM 0 H ILE A 62 1.148 7.149 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.129 5.795 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.269 8.692 -5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.961 7.171 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.247 8.606 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.152 9.274 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.742 8.536 -5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.685 7.576 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.271 6.603 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.761 7.288 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.036 5.830 -3.252 1.00 0.00 H new ATOM 920 N GLU A 63 -1.367 6.542 -8.183 1.00 0.00 N ATOM 921 CA GLU A 63 -2.282 6.690 -9.350 1.00 0.00 C ATOM 922 C GLU A 63 -3.063 5.391 -9.554 1.00 0.00 C ATOM 923 O GLU A 63 -4.269 5.397 -9.704 1.00 0.00 O ATOM 924 CB GLU A 63 -1.459 6.991 -10.604 1.00 0.00 C ATOM 925 CG GLU A 63 -2.171 8.056 -11.442 1.00 0.00 C ATOM 926 CD GLU A 63 -1.588 9.434 -11.122 1.00 0.00 C ATOM 927 OE1 GLU A 63 -0.381 9.524 -10.967 1.00 0.00 O ATOM 928 OE2 GLU A 63 -2.358 10.376 -11.038 1.00 0.00 O ATOM 0 H GLU A 63 -0.418 6.245 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.979 7.507 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.465 7.339 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.325 6.082 -11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.053 7.837 -12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.240 8.044 -11.231 1.00 0.00 H new ATOM 935 N GLU A 64 -2.385 4.276 -9.564 1.00 0.00 N ATOM 936 CA GLU A 64 -3.090 2.978 -9.762 1.00 0.00 C ATOM 937 C GLU A 64 -3.944 2.662 -8.529 1.00 0.00 C ATOM 938 O GLU A 64 -4.922 1.943 -8.609 1.00 0.00 O ATOM 939 CB GLU A 64 -2.060 1.864 -9.970 1.00 0.00 C ATOM 940 CG GLU A 64 -1.385 1.527 -8.638 1.00 0.00 C ATOM 941 CD GLU A 64 0.060 1.095 -8.892 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.273 -0.084 -9.121 1.00 0.00 O ATOM 943 OE2 GLU A 64 0.929 1.950 -8.853 1.00 0.00 O ATOM 0 H GLU A 64 -1.374 4.208 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.734 3.047 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.547 0.977 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.312 2.179 -10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.406 2.394 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.931 0.730 -8.133 1.00 0.00 H new ATOM 950 N VAL A 65 -3.583 3.190 -7.392 1.00 0.00 N ATOM 951 CA VAL A 65 -4.374 2.914 -6.159 1.00 0.00 C ATOM 952 C VAL A 65 -5.442 3.996 -5.978 1.00 0.00 C ATOM 953 O VAL A 65 -6.589 3.709 -5.698 1.00 0.00 O ATOM 954 CB VAL A 65 -3.443 2.911 -4.944 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.146 2.242 -3.763 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.167 2.136 -5.282 1.00 0.00 C ATOM 0 H VAL A 65 -2.776 3.800 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.856 1.941 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.187 3.937 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.483 2.240 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.055 2.792 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.402 1.216 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.503 2.133 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.424 1.110 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.664 2.612 -6.124 1.00 0.00 H new ATOM 966 N ASP A 66 -5.074 5.239 -6.133 1.00 0.00 N ATOM 967 CA ASP A 66 -6.068 6.338 -5.967 1.00 0.00 C ATOM 968 C ASP A 66 -7.270 6.089 -6.882 1.00 0.00 C ATOM 969 O ASP A 66 -8.334 6.645 -6.688 1.00 0.00 O ATOM 970 CB ASP A 66 -5.415 7.673 -6.335 1.00 0.00 C ATOM 971 CG ASP A 66 -6.474 8.778 -6.349 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.396 8.696 -5.555 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.341 9.686 -7.152 1.00 0.00 O ATOM 0 H ASP A 66 -4.128 5.541 -6.367 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.404 6.368 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.631 7.916 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.940 7.599 -7.313 1.00 0.00 H new ATOM 978 N GLU A 67 -7.112 5.260 -7.877 1.00 0.00 N ATOM 979 CA GLU A 67 -8.247 4.979 -8.803 1.00 0.00 C ATOM 980 C GLU A 67 -9.532 4.781 -7.994 1.00 0.00 C ATOM 981 O GLU A 67 -10.621 5.026 -8.474 1.00 0.00 O ATOM 982 CB GLU A 67 -7.951 3.711 -9.607 1.00 0.00 C ATOM 983 CG GLU A 67 -7.953 2.499 -8.673 1.00 0.00 C ATOM 984 CD GLU A 67 -7.481 1.262 -9.438 1.00 0.00 C ATOM 985 OE1 GLU A 67 -7.594 1.261 -10.653 1.00 0.00 O ATOM 986 OE2 GLU A 67 -7.013 0.335 -8.797 1.00 0.00 O ATOM 0 H GLU A 67 -6.246 4.765 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.373 5.820 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.699 3.581 -10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.984 3.800 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.300 2.683 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.955 2.334 -8.277 1.00 0.00 H new ATOM 993 N ASP A 68 -9.415 4.336 -6.773 1.00 0.00 N ATOM 994 CA ASP A 68 -10.632 4.123 -5.939 1.00 0.00 C ATOM 995 C ASP A 68 -11.403 5.439 -5.815 1.00 0.00 C ATOM 996 O ASP A 68 -12.537 5.548 -6.239 1.00 0.00 O ATOM 997 CB ASP A 68 -10.219 3.641 -4.547 1.00 0.00 C ATOM 998 CG ASP A 68 -11.464 3.503 -3.667 1.00 0.00 C ATOM 999 OD1 ASP A 68 -12.555 3.512 -4.212 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -11.303 3.391 -2.463 1.00 0.00 O ATOM 0 H ASP A 68 -8.531 4.111 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.267 3.373 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.704 2.683 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.519 4.346 -4.098 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.799 6.440 -5.234 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.498 7.747 -5.080 1.00 0.00 C ATOM 1007 C GLY A 69 -11.082 8.399 -3.761 1.00 0.00 C ATOM 1008 O GLY A 69 -11.887 8.989 -3.067 1.00 0.00 O ATOM 0 H GLY A 69 -9.851 6.409 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.252 8.403 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.578 7.598 -5.099 1.00 0.00 H new ATOM 1012 N SER A 70 -9.829 8.297 -3.407 1.00 0.00 N ATOM 1013 CA SER A 70 -9.361 8.910 -2.133 1.00 0.00 C ATOM 1014 C SER A 70 -7.989 9.552 -2.348 1.00 0.00 C ATOM 1015 O SER A 70 -7.704 10.617 -1.838 1.00 0.00 O ATOM 1016 CB SER A 70 -9.255 7.830 -1.055 1.00 0.00 C ATOM 1017 OG SER A 70 -10.552 7.539 -0.552 1.00 0.00 O ATOM 0 H SER A 70 -9.110 7.815 -3.946 1.00 0.00 H new ATOM 0 HA SER A 70 -10.073 9.672 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.803 6.929 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.607 8.169 -0.247 1.00 0.00 H new ATOM 0 HG SER A 70 -11.226 7.976 -1.113 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.135 8.912 -3.100 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.783 9.486 -3.348 1.00 0.00 C ATOM 1025 C GLY A 71 -4.837 9.071 -2.219 1.00 0.00 C ATOM 1026 O GLY A 71 -3.985 9.829 -1.801 1.00 0.00 O ATOM 0 H GLY A 71 -7.316 8.016 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.398 9.137 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.843 10.573 -3.406 1.00 0.00 H new ATOM 1030 N THR A 72 -4.981 7.873 -1.722 1.00 0.00 N ATOM 1031 CA THR A 72 -4.089 7.412 -0.620 1.00 0.00 C ATOM 1032 C THR A 72 -4.109 5.883 -0.558 1.00 0.00 C ATOM 1033 O THR A 72 -4.776 5.229 -1.334 1.00 0.00 O ATOM 1034 CB THR A 72 -4.568 7.992 0.720 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.442 7.004 1.733 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.032 8.428 0.615 1.00 0.00 C ATOM 0 H THR A 72 -5.677 7.194 -2.031 1.00 0.00 H new ATOM 0 HA THR A 72 -3.072 7.756 -0.811 1.00 0.00 H new ATOM 0 HB THR A 72 -3.957 8.859 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.637 7.180 2.264 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.359 8.837 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.130 9.190 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.650 7.568 0.358 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.379 5.306 0.358 1.00 0.00 N ATOM 1045 CA ILE A 73 -3.355 3.820 0.463 1.00 0.00 C ATOM 1046 C ILE A 73 -3.745 3.397 1.881 1.00 0.00 C ATOM 1047 O ILE A 73 -3.378 4.029 2.849 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.947 3.311 0.154 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.652 3.494 -1.338 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -1.850 1.828 0.515 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.165 3.245 -1.599 1.00 0.00 C ATOM 0 H ILE A 73 -2.799 5.799 1.037 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.063 3.397 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.221 3.876 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.256 2.803 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.923 4.502 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.846 1.465 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.058 1.698 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.576 1.263 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.045 3.375 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.429 3.954 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.092 2.229 -1.300 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.483 2.330 2.012 1.00 0.00 N ATOM 1064 CA ASP A 74 -4.889 1.868 3.368 1.00 0.00 C ATOM 1065 C ASP A 74 -3.940 0.759 3.828 1.00 0.00 C ATOM 1066 O ASP A 74 -2.820 0.659 3.367 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.318 1.327 3.318 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.222 2.334 2.605 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.925 3.517 2.668 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.197 1.908 2.008 1.00 0.00 O ATOM 0 H ASP A 74 -4.822 1.758 1.239 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.843 2.703 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.338 0.371 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.685 1.145 4.328 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.375 -0.073 4.734 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.491 -1.171 5.218 1.00 0.00 C ATOM 1077 C PHE A 75 -3.704 -2.415 4.343 1.00 0.00 C ATOM 1078 O PHE A 75 -2.792 -3.181 4.105 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.812 -1.466 6.701 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.588 -2.759 6.851 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -5.938 -2.815 6.485 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.952 -3.900 7.355 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.652 -4.010 6.622 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.665 -5.097 7.493 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.015 -5.152 7.127 1.00 0.00 C ATOM 0 H PHE A 75 -5.302 -0.040 5.159 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.444 -0.877 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.885 -1.528 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.389 -0.642 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.429 -1.935 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.911 -3.857 7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.693 -4.053 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.174 -5.977 7.881 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.566 -6.075 7.234 1.00 0.00 H new ATOM 1095 N GLU A 76 -4.904 -2.620 3.870 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.178 -3.814 3.020 1.00 0.00 C ATOM 1097 C GLU A 76 -4.879 -3.486 1.555 1.00 0.00 C ATOM 1098 O GLU A 76 -4.714 -4.367 0.735 1.00 0.00 O ATOM 1099 CB GLU A 76 -6.649 -4.210 3.161 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.528 -3.175 2.456 1.00 0.00 C ATOM 1101 CD GLU A 76 -8.663 -2.750 3.389 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -8.471 -2.814 4.592 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -9.705 -2.364 2.886 1.00 0.00 O ATOM 0 H GLU A 76 -5.706 -2.012 4.036 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.543 -4.639 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.814 -5.197 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.919 -4.275 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.931 -2.308 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.936 -3.595 1.537 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.811 -2.228 1.217 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.525 -1.853 -0.198 1.00 0.00 C ATOM 1112 C GLU A 77 -3.014 -1.730 -0.402 1.00 0.00 C ATOM 1113 O GLU A 77 -2.500 -1.979 -1.474 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.192 -0.513 -0.514 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.710 -0.688 -0.529 1.00 0.00 C ATOM 1116 CD GLU A 77 -7.093 -1.750 -1.560 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.036 -2.921 -1.224 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.436 -1.374 -2.669 1.00 0.00 O ATOM 0 H GLU A 77 -4.941 -1.445 1.857 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.918 -2.622 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.909 0.231 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.849 -0.143 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.062 -0.983 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.193 0.259 -0.770 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.300 -1.343 0.617 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.823 -1.197 0.484 1.00 0.00 C ATOM 1127 C PHE A 78 -0.207 -2.525 0.033 1.00 0.00 C ATOM 1128 O PHE A 78 0.880 -2.559 -0.508 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.232 -0.799 1.836 1.00 0.00 C ATOM 1130 CG PHE A 78 0.833 0.252 1.635 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.609 0.251 0.468 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.047 1.227 2.617 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.597 1.226 0.285 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.035 2.202 2.433 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.810 2.202 1.267 1.00 0.00 C ATOM 0 H PHE A 78 -2.676 -1.121 1.539 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.602 -0.429 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.017 -0.416 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.194 -1.673 2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.445 -0.501 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.450 1.227 3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.195 1.226 -0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.199 2.954 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.572 2.954 1.125 1.00 0.00 H new ATOM 1145 N LEU A 79 -0.884 -3.619 0.255 1.00 0.00 N ATOM 1146 CA LEU A 79 -0.323 -4.938 -0.158 1.00 0.00 C ATOM 1147 C LEU A 79 -0.685 -5.224 -1.616 1.00 0.00 C ATOM 1148 O LEU A 79 0.033 -5.906 -2.320 1.00 0.00 O ATOM 1149 CB LEU A 79 -0.900 -6.039 0.734 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.428 -6.005 0.667 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.942 -7.315 0.069 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -2.995 -5.833 2.077 1.00 0.00 C ATOM 0 H LEU A 79 -1.799 -3.657 0.703 1.00 0.00 H new ATOM 0 HA LEU A 79 0.762 -4.913 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.533 -7.013 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.568 -5.899 1.763 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.746 -5.171 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.031 -7.291 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.537 -7.440 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.625 -8.150 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.084 -5.809 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.677 -6.668 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.629 -4.900 2.505 1.00 0.00 H new ATOM 1164 N VAL A 80 -1.792 -4.712 -2.076 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.194 -4.962 -3.489 1.00 0.00 C ATOM 1166 C VAL A 80 -1.290 -4.160 -4.429 1.00 0.00 C ATOM 1167 O VAL A 80 -1.396 -4.256 -5.636 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.648 -4.531 -3.686 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.512 -5.128 -2.573 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -3.737 -3.005 -3.635 1.00 0.00 C ATOM 0 H VAL A 80 -2.435 -4.132 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.095 -6.024 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.005 -4.885 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.549 -4.821 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.448 -6.216 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.156 -4.773 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.773 -2.696 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.381 -2.652 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.121 -2.578 -4.426 1.00 0.00 H new ATOM 1180 N MET A 81 -0.405 -3.369 -3.888 1.00 0.00 N ATOM 1181 CA MET A 81 0.501 -2.561 -4.755 1.00 0.00 C ATOM 1182 C MET A 81 1.777 -3.353 -5.050 1.00 0.00 C ATOM 1183 O MET A 81 2.043 -3.720 -6.178 1.00 0.00 O ATOM 1184 CB MET A 81 0.867 -1.260 -4.037 1.00 0.00 C ATOM 1185 CG MET A 81 1.216 -0.188 -5.070 1.00 0.00 C ATOM 1186 SD MET A 81 0.816 1.447 -4.403 1.00 0.00 S ATOM 1187 CE MET A 81 1.787 1.315 -2.880 1.00 0.00 C ATOM 0 H MET A 81 -0.269 -3.247 -2.884 1.00 0.00 H new ATOM 0 HA MET A 81 -0.007 -2.333 -5.692 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.034 -0.927 -3.419 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.713 -1.426 -3.370 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.275 -0.241 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.661 -0.362 -5.992 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.041 2.313 -2.523 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.203 0.795 -2.120 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.702 0.758 -3.079 1.00 0.00 H new ATOM 1197 N MET A 82 2.572 -3.612 -4.049 1.00 0.00 N ATOM 1198 CA MET A 82 3.835 -4.373 -4.275 1.00 0.00 C ATOM 1199 C MET A 82 3.511 -5.822 -4.645 1.00 0.00 C ATOM 1200 O MET A 82 4.309 -6.511 -5.248 1.00 0.00 O ATOM 1201 CB MET A 82 4.679 -4.351 -2.999 1.00 0.00 C ATOM 1202 CG MET A 82 3.806 -4.730 -1.802 1.00 0.00 C ATOM 1203 SD MET A 82 3.511 -3.266 -0.782 1.00 0.00 S ATOM 1204 CE MET A 82 4.528 -3.763 0.630 1.00 0.00 C ATOM 0 H MET A 82 2.402 -3.330 -3.084 1.00 0.00 H new ATOM 0 HA MET A 82 4.391 -3.910 -5.090 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.512 -5.048 -3.090 1.00 0.00 H new ATOM 0 HB3 MET A 82 5.107 -3.360 -2.851 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.858 -5.143 -2.146 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.296 -5.505 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.490 -2.989 1.396 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.148 -4.699 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.559 -3.902 0.305 1.00 0.00 H new ATOM 1214 N VAL A 83 2.346 -6.294 -4.289 1.00 0.00 N ATOM 1215 CA VAL A 83 1.982 -7.700 -4.622 1.00 0.00 C ATOM 1216 C VAL A 83 1.567 -7.787 -6.093 1.00 0.00 C ATOM 1217 O VAL A 83 1.556 -8.848 -6.682 1.00 0.00 O ATOM 1218 CB VAL A 83 0.816 -8.148 -3.738 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.307 -9.507 -4.219 1.00 0.00 C ATOM 1220 CG2 VAL A 83 1.293 -8.266 -2.288 1.00 0.00 C ATOM 0 H VAL A 83 1.633 -5.768 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 83 2.842 -8.347 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 83 0.011 -7.416 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.524 -9.828 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.031 -9.424 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.112 -10.239 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.464 -8.585 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.097 -8.999 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.658 -7.298 -1.945 1.00 0.00 H new ATOM 1230 N ARG A 84 1.225 -6.678 -6.689 1.00 0.00 N ATOM 1231 CA ARG A 84 0.810 -6.700 -8.121 1.00 0.00 C ATOM 1232 C ARG A 84 2.039 -6.909 -9.008 1.00 0.00 C ATOM 1233 O ARG A 84 1.945 -7.426 -10.103 1.00 0.00 O ATOM 1234 CB ARG A 84 0.146 -5.368 -8.477 1.00 0.00 C ATOM 1235 CG ARG A 84 -1.121 -5.628 -9.294 1.00 0.00 C ATOM 1236 CD ARG A 84 -1.788 -4.293 -9.636 1.00 0.00 C ATOM 1237 NE ARG A 84 -2.300 -4.335 -11.035 1.00 0.00 N ATOM 1238 CZ ARG A 84 -2.702 -3.237 -11.614 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.854 -2.269 -11.833 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -3.949 -3.108 -11.975 1.00 0.00 N ATOM 0 H ARG A 84 1.215 -5.759 -6.248 1.00 0.00 H new ATOM 0 HA ARG A 84 0.105 -7.515 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.101 -4.819 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.837 -4.746 -9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.873 -6.168 -10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.809 -6.257 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.607 -4.096 -8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.073 -3.478 -9.524 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.336 -5.221 -11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.879 -2.372 -11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.166 -1.410 -12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.610 -3.866 -11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.263 -2.249 -12.428 1.00 0.00 H new ATOM 1254 N GLN A 85 3.192 -6.507 -8.547 1.00 0.00 N ATOM 1255 CA GLN A 85 4.424 -6.680 -9.369 1.00 0.00 C ATOM 1256 C GLN A 85 5.072 -8.030 -9.052 1.00 0.00 C ATOM 1257 O GLN A 85 6.230 -8.101 -8.690 1.00 0.00 O ATOM 1258 CB GLN A 85 5.411 -5.555 -9.052 1.00 0.00 C ATOM 1259 CG GLN A 85 6.668 -5.728 -9.906 1.00 0.00 C ATOM 1260 CD GLN A 85 6.579 -4.821 -11.133 1.00 0.00 C ATOM 1261 OE1 GLN A 85 6.437 -3.620 -11.008 1.00 0.00 O ATOM 1262 NE2 GLN A 85 6.655 -5.348 -12.325 1.00 0.00 N ATOM 0 H GLN A 85 3.334 -6.067 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 85 4.159 -6.647 -10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.952 -4.587 -9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.672 -5.572 -7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.554 -5.481 -9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.770 -6.768 -10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.774 -6.356 -12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.595 -4.752 -13.151 1.00 0.00 H new ATOM 1271 N MET A 86 4.340 -9.101 -9.190 1.00 0.00 N ATOM 1272 CA MET A 86 4.925 -10.440 -8.900 1.00 0.00 C ATOM 1273 C MET A 86 5.750 -10.903 -10.104 1.00 0.00 C ATOM 1274 O MET A 86 5.597 -10.403 -11.200 1.00 0.00 O ATOM 1275 CB MET A 86 3.803 -11.443 -8.631 1.00 0.00 C ATOM 1276 CG MET A 86 3.464 -11.441 -7.138 1.00 0.00 C ATOM 1277 SD MET A 86 4.737 -12.352 -6.230 1.00 0.00 S ATOM 1278 CE MET A 86 4.075 -12.071 -4.570 1.00 0.00 C ATOM 0 H MET A 86 3.365 -9.107 -9.490 1.00 0.00 H new ATOM 0 HA MET A 86 5.567 -10.375 -8.021 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.920 -11.183 -9.216 1.00 0.00 H new ATOM 0 HB3 MET A 86 4.110 -12.441 -8.944 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.402 -10.417 -6.770 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.488 -11.898 -6.975 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.883 -11.773 -3.902 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.324 -11.282 -4.606 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.618 -12.989 -4.200 1.00 0.00 H new ATOM 1288 N LYS A 87 6.625 -11.852 -9.910 1.00 0.00 N ATOM 1289 CA LYS A 87 7.459 -12.338 -11.046 1.00 0.00 C ATOM 1290 C LYS A 87 6.708 -13.432 -11.807 1.00 0.00 C ATOM 1291 O LYS A 87 6.803 -13.536 -13.014 1.00 0.00 O ATOM 1292 CB LYS A 87 8.777 -12.899 -10.509 1.00 0.00 C ATOM 1293 CG LYS A 87 9.414 -11.886 -9.556 1.00 0.00 C ATOM 1294 CD LYS A 87 10.932 -11.886 -9.750 1.00 0.00 C ATOM 1295 CE LYS A 87 11.339 -10.683 -10.603 1.00 0.00 C ATOM 1296 NZ LYS A 87 12.510 -10.006 -9.977 1.00 0.00 N ATOM 0 H LYS A 87 6.798 -12.311 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 87 7.666 -11.508 -11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.599 -13.840 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.456 -13.114 -11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.013 -10.890 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.169 -12.138 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.433 -11.845 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.247 -12.811 -10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.590 -11.007 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.505 -9.986 -10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.788 -9.188 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.255 -9.684 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.305 -10.673 -9.916 1.00 0.00 H new ATOM 1310 N GLU A 88 5.961 -14.249 -11.116 1.00 0.00 N ATOM 1311 CA GLU A 88 5.207 -15.332 -11.811 1.00 0.00 C ATOM 1312 C GLU A 88 4.063 -14.718 -12.621 1.00 0.00 C ATOM 1313 O GLU A 88 3.367 -15.402 -13.346 1.00 0.00 O ATOM 1314 CB GLU A 88 4.637 -16.306 -10.778 1.00 0.00 C ATOM 1315 CG GLU A 88 4.013 -17.503 -11.499 1.00 0.00 C ATOM 1316 CD GLU A 88 3.599 -18.560 -10.473 1.00 0.00 C ATOM 1317 OE1 GLU A 88 3.357 -18.189 -9.336 1.00 0.00 O ATOM 1318 OE2 GLU A 88 3.532 -19.720 -10.841 1.00 0.00 O ATOM 0 H GLU A 88 5.840 -14.214 -10.104 1.00 0.00 H new ATOM 0 HA GLU A 88 5.879 -15.869 -12.480 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.426 -16.643 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.888 -15.806 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.146 -17.182 -12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.726 -17.927 -12.206 1.00 0.00 H new ATOM 1325 N ASP A 89 3.863 -13.433 -12.507 1.00 0.00 N ATOM 1326 CA ASP A 89 2.765 -12.778 -13.272 1.00 0.00 C ATOM 1327 C ASP A 89 1.414 -13.186 -12.678 1.00 0.00 C ATOM 1328 O ASP A 89 0.493 -13.538 -13.388 1.00 0.00 O ATOM 1329 CB ASP A 89 2.830 -13.217 -14.737 1.00 0.00 C ATOM 1330 CG ASP A 89 2.234 -12.122 -15.625 1.00 0.00 C ATOM 1331 OD1 ASP A 89 1.196 -11.594 -15.264 1.00 0.00 O ATOM 1332 OD2 ASP A 89 2.827 -11.831 -16.651 1.00 0.00 O ATOM 0 H ASP A 89 4.413 -12.809 -11.917 1.00 0.00 H new ATOM 0 HA ASP A 89 2.877 -11.695 -13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.864 -13.410 -15.024 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.282 -14.149 -14.873 1.00 0.00 H new ATOM 1337 N ALA A 90 1.290 -13.140 -11.380 1.00 0.00 N ATOM 1338 CA ALA A 90 0.000 -13.525 -10.741 1.00 0.00 C ATOM 1339 C ALA A 90 -0.203 -12.700 -9.469 1.00 0.00 C ATOM 1340 O ALA A 90 0.587 -11.800 -9.237 1.00 0.00 O ATOM 1341 CB ALA A 90 0.030 -15.013 -10.387 1.00 0.00 C ATOM 1342 OXT ALA A 90 -1.145 -12.984 -8.747 1.00 0.00 O ATOM 0 H ALA A 90 2.026 -12.853 -10.735 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.821 -13.334 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.913 -15.295 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.175 -15.600 -11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.850 -15.206 -9.695 1.00 0.00 H new TER 1348 ALA A 90