USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 555 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -11:sc= 0.933 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.044) USER MOD Single : A 18 MET CE :methyl 157:sc= -0.224 (180deg=-0.838) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.117) USER MOD Single : A 23 SER OG : rot 140:sc= -0.239 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 30:sc= -0.071 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-0.00428 (180deg=-0.124) USER MOD Single : A 29 MET CE :methyl 174:sc= 0 (180deg=-0.0388) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.15) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 156:sc= 1.22 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -90:sc= -1.34 USER MOD Single : A 67 SER OG : rot 180:sc= -0.182 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 33:sc= 0.498 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -124:sc= 1.22 USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= -0.0305 (180deg=-0.303) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 11.170 12.365 -9.857 1.00 7.54 N ATOM 2 CA GLY A -2 11.191 10.907 -10.121 1.00 6.84 C ATOM 3 C GLY A -2 12.193 10.190 -9.246 1.00 5.98 C ATOM 4 O GLY A -2 12.183 10.360 -8.023 1.00 5.92 O ATOM 0 H1 GLY A -2 10.470 12.820 -10.477 1.00 7.54 H new ATOM 0 H2 GLY A -2 10.914 12.534 -8.863 1.00 7.54 H new ATOM 0 H3 GLY A -2 12.111 12.765 -10.045 1.00 7.54 H new ATOM 0 HA2 GLY A -2 10.197 10.493 -9.950 1.00 6.84 H new ATOM 0 HA3 GLY A -2 11.433 10.731 -11.169 1.00 6.84 H new ATOM 10 N SER A -1 13.055 9.390 -9.874 1.00 5.63 N ATOM 11 CA SER A -1 14.079 8.625 -9.166 1.00 5.13 C ATOM 12 C SER A -1 13.443 7.675 -8.150 1.00 4.14 C ATOM 13 O SER A -1 13.904 7.548 -7.013 1.00 4.20 O ATOM 14 CB SER A -1 15.070 9.574 -8.488 1.00 5.89 C ATOM 15 OG SER A -1 15.644 10.460 -9.438 1.00 6.58 O ATOM 0 H SER A -1 13.062 9.255 -10.885 1.00 5.63 H new ATOM 0 HA SER A -1 14.624 8.018 -9.889 1.00 5.13 H new ATOM 0 HB2 SER A -1 14.562 10.145 -7.711 1.00 5.89 H new ATOM 0 HB3 SER A -1 15.856 8.999 -7.998 1.00 5.89 H new ATOM 0 HG SER A -1 16.274 11.060 -8.987 1.00 6.58 H new ATOM 19 N VAL A 1 12.385 6.997 -8.586 1.00 3.59 N ATOM 20 CA VAL A 1 11.678 6.043 -7.742 1.00 2.90 C ATOM 21 C VAL A 1 12.435 4.719 -7.654 1.00 2.46 C ATOM 22 O VAL A 1 12.985 4.234 -8.647 1.00 2.65 O ATOM 23 CB VAL A 1 10.236 5.794 -8.254 1.00 2.83 C ATOM 24 CG1 VAL A 1 10.235 5.351 -9.708 1.00 2.99 C ATOM 25 CG2 VAL A 1 9.523 4.765 -7.388 1.00 3.50 C ATOM 0 H VAL A 1 11.998 7.093 -9.525 1.00 3.59 H new ATOM 0 HA VAL A 1 11.619 6.479 -6.745 1.00 2.90 H new ATOM 0 HB VAL A 1 9.696 6.739 -8.187 1.00 2.83 H new ATOM 0 HG11 VAL A 1 9.209 5.185 -10.037 1.00 2.99 H new ATOM 0 HG12 VAL A 1 10.693 6.125 -10.324 1.00 2.99 H new ATOM 0 HG13 VAL A 1 10.802 4.426 -9.807 1.00 2.99 H new ATOM 0 HG21 VAL A 1 8.513 4.607 -7.767 1.00 3.50 H new ATOM 0 HG22 VAL A 1 10.072 3.824 -7.415 1.00 3.50 H new ATOM 0 HG23 VAL A 1 9.473 5.126 -6.361 1.00 3.50 H new ATOM 35 N ASP A 2 12.439 4.131 -6.471 1.00 2.28 N ATOM 36 CA ASP A 2 13.058 2.831 -6.264 1.00 1.96 C ATOM 37 C ASP A 2 12.024 1.852 -5.730 1.00 1.39 C ATOM 38 O ASP A 2 12.012 0.676 -6.096 1.00 2.12 O ATOM 39 CB ASP A 2 14.220 2.928 -5.279 1.00 2.27 C ATOM 40 CG ASP A 2 14.984 1.626 -5.180 1.00 2.32 C ATOM 41 OD1 ASP A 2 15.695 1.274 -6.143 1.00 2.52 O ATOM 42 OD2 ASP A 2 14.871 0.938 -4.147 1.00 2.66 O ATOM 0 H ASP A 2 12.018 4.535 -5.634 1.00 2.28 H new ATOM 0 HA ASP A 2 13.444 2.480 -7.221 1.00 1.96 H new ATOM 0 HB2 ASP A 2 14.896 3.723 -5.592 1.00 2.27 H new ATOM 0 HB3 ASP A 2 13.840 3.202 -4.295 1.00 2.27 H new ATOM 45 N PHE A 3 11.144 2.381 -4.882 1.00 0.94 N ATOM 46 CA PHE A 3 10.046 1.633 -4.268 1.00 0.64 C ATOM 47 C PHE A 3 10.534 0.644 -3.210 1.00 0.52 C ATOM 48 O PHE A 3 10.023 0.633 -2.095 1.00 0.46 O ATOM 49 CB PHE A 3 9.210 0.892 -5.314 1.00 1.16 C ATOM 50 CG PHE A 3 7.963 0.288 -4.737 1.00 0.79 C ATOM 51 CD1 PHE A 3 6.877 1.087 -4.420 1.00 0.87 C ATOM 52 CD2 PHE A 3 7.882 -1.072 -4.498 1.00 0.86 C ATOM 53 CE1 PHE A 3 5.732 0.538 -3.880 1.00 1.16 C ATOM 54 CE2 PHE A 3 6.741 -1.625 -3.955 1.00 0.71 C ATOM 55 CZ PHE A 3 5.664 -0.818 -3.644 1.00 0.99 C ATOM 0 H PHE A 3 11.174 3.360 -4.596 1.00 0.94 H new ATOM 0 HA PHE A 3 9.419 2.376 -3.776 1.00 0.64 H new ATOM 0 HB2 PHE A 3 8.938 1.583 -6.112 1.00 1.16 H new ATOM 0 HB3 PHE A 3 9.815 0.105 -5.765 1.00 1.16 H new ATOM 0 HD1 PHE A 3 6.927 2.151 -4.597 1.00 0.87 H new ATOM 0 HD2 PHE A 3 8.721 -1.708 -4.739 1.00 0.86 H new ATOM 0 HE1 PHE A 3 4.890 1.171 -3.642 1.00 1.16 H new ATOM 0 HE2 PHE A 3 6.690 -2.688 -3.773 1.00 0.71 H new ATOM 0 HZ PHE A 3 4.771 -1.249 -3.217 1.00 0.99 H new ATOM 63 N ALA A 4 11.462 -0.232 -3.575 1.00 0.56 N ATOM 64 CA ALA A 4 11.917 -1.278 -2.663 1.00 0.55 C ATOM 65 C ALA A 4 12.671 -0.690 -1.471 1.00 0.57 C ATOM 66 O ALA A 4 12.302 -0.925 -0.316 1.00 0.54 O ATOM 67 CB ALA A 4 12.781 -2.283 -3.404 1.00 0.64 C ATOM 0 H ALA A 4 11.913 -0.241 -4.490 1.00 0.56 H new ATOM 0 HA ALA A 4 11.038 -1.792 -2.274 1.00 0.55 H new ATOM 0 HB1 ALA A 4 13.113 -3.057 -2.712 1.00 0.64 H new ATOM 0 HB2 ALA A 4 12.202 -2.738 -4.207 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.649 -1.776 -3.825 1.00 0.64 H new ATOM 73 N PHE A 5 13.648 0.169 -1.756 1.00 0.62 N ATOM 74 CA PHE A 5 14.379 0.881 -0.709 1.00 0.66 C ATOM 75 C PHE A 5 13.419 1.749 0.087 1.00 0.59 C ATOM 76 O PHE A 5 13.517 1.862 1.312 1.00 0.57 O ATOM 77 CB PHE A 5 15.479 1.753 -1.331 1.00 0.79 C ATOM 78 CG PHE A 5 16.235 2.602 -0.347 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.897 2.015 0.720 1.00 1.04 C ATOM 80 CD2 PHE A 5 16.276 3.980 -0.480 1.00 1.20 C ATOM 81 CE1 PHE A 5 17.585 2.788 1.635 1.00 1.46 C ATOM 82 CE2 PHE A 5 16.964 4.758 0.432 1.00 1.56 C ATOM 83 CZ PHE A 5 17.646 4.180 1.452 1.00 1.65 C ATOM 0 H PHE A 5 13.952 0.389 -2.704 1.00 0.62 H new ATOM 0 HA PHE A 5 14.842 0.153 -0.043 1.00 0.66 H new ATOM 0 HB2 PHE A 5 16.186 1.107 -1.852 1.00 0.79 H new ATOM 0 HB3 PHE A 5 15.029 2.403 -2.081 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.875 0.942 0.837 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.765 4.452 -1.306 1.00 1.20 H new ATOM 0 HE1 PHE A 5 18.071 2.327 2.482 1.00 1.46 H new ATOM 0 HE2 PHE A 5 16.958 5.833 0.332 1.00 1.56 H new ATOM 0 HZ PHE A 5 18.235 4.788 2.122 1.00 1.65 H new ATOM 91 N GLU A 6 12.475 2.340 -0.627 1.00 0.57 N ATOM 92 CA GLU A 6 11.481 3.207 -0.027 1.00 0.53 C ATOM 93 C GLU A 6 10.568 2.425 0.921 1.00 0.49 C ATOM 94 O GLU A 6 10.300 2.877 2.027 1.00 0.49 O ATOM 95 CB GLU A 6 10.682 3.915 -1.121 1.00 0.57 C ATOM 96 CG GLU A 6 11.581 4.620 -2.126 1.00 0.70 C ATOM 97 CD GLU A 6 10.820 5.424 -3.156 1.00 1.42 C ATOM 98 OE1 GLU A 6 10.142 6.400 -2.765 1.00 1.97 O ATOM 99 OE2 GLU A 6 10.866 5.067 -4.349 1.00 2.09 O ATOM 0 H GLU A 6 12.378 2.231 -1.637 1.00 0.57 H new ATOM 0 HA GLU A 6 11.988 3.964 0.571 1.00 0.53 H new ATOM 0 HB2 GLU A 6 10.059 3.188 -1.641 1.00 0.57 H new ATOM 0 HB3 GLU A 6 10.010 4.642 -0.665 1.00 0.57 H new ATOM 0 HG2 GLU A 6 12.262 5.282 -1.591 1.00 0.70 H new ATOM 0 HG3 GLU A 6 12.194 3.877 -2.637 1.00 0.70 H new ATOM 102 N LEU A 7 10.170 1.215 0.531 1.00 0.49 N ATOM 103 CA LEU A 7 9.371 0.365 1.415 1.00 0.51 C ATOM 104 C LEU A 7 10.157 0.006 2.671 1.00 0.53 C ATOM 105 O LEU A 7 9.621 0.046 3.777 1.00 0.56 O ATOM 106 CB LEU A 7 8.914 -0.920 0.711 1.00 0.56 C ATOM 107 CG LEU A 7 7.730 -0.770 -0.244 1.00 0.79 C ATOM 108 CD1 LEU A 7 7.200 -2.141 -0.636 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.626 0.067 0.389 1.00 1.45 C ATOM 0 H LEU A 7 10.383 0.805 -0.378 1.00 0.49 H new ATOM 0 HA LEU A 7 8.485 0.936 1.692 1.00 0.51 H new ATOM 0 HB2 LEU A 7 9.758 -1.326 0.153 1.00 0.56 H new ATOM 0 HB3 LEU A 7 8.652 -1.655 1.472 1.00 0.56 H new ATOM 0 HG LEU A 7 8.072 -0.254 -1.141 1.00 0.79 H new ATOM 0 HD11 LEU A 7 6.357 -2.024 -1.317 1.00 1.43 H new ATOM 0 HD12 LEU A 7 7.989 -2.708 -1.130 1.00 1.43 H new ATOM 0 HD13 LEU A 7 6.874 -2.674 0.257 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.794 0.160 -0.309 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.281 -0.417 1.302 1.00 1.45 H new ATOM 0 HD23 LEU A 7 7.012 1.058 0.627 1.00 1.45 H new ATOM 119 N ARG A 8 11.433 -0.322 2.494 1.00 0.56 N ATOM 120 CA ARG A 8 12.292 -0.665 3.620 1.00 0.62 C ATOM 121 C ARG A 8 12.377 0.494 4.610 1.00 0.60 C ATOM 122 O ARG A 8 12.156 0.316 5.806 1.00 0.63 O ATOM 123 CB ARG A 8 13.698 -1.029 3.133 1.00 0.70 C ATOM 124 CG ARG A 8 13.742 -2.252 2.231 1.00 1.30 C ATOM 125 CD ARG A 8 13.319 -3.513 2.966 1.00 1.61 C ATOM 126 NE ARG A 8 13.533 -4.708 2.152 1.00 1.92 N ATOM 127 CZ ARG A 8 13.285 -5.951 2.562 1.00 2.84 C ATOM 128 NH1 ARG A 8 12.789 -6.175 3.773 1.00 3.51 N ATOM 129 NH2 ARG A 8 13.526 -6.973 1.750 1.00 3.56 N ATOM 0 H ARG A 8 11.893 -0.357 1.584 1.00 0.56 H new ATOM 0 HA ARG A 8 11.855 -1.527 4.124 1.00 0.62 H new ATOM 0 HB2 ARG A 8 14.117 -0.178 2.595 1.00 0.70 H new ATOM 0 HB3 ARG A 8 14.337 -1.205 3.998 1.00 0.70 H new ATOM 0 HG2 ARG A 8 13.088 -2.095 1.374 1.00 1.30 H new ATOM 0 HG3 ARG A 8 14.752 -2.380 1.842 1.00 1.30 H new ATOM 0 HD2 ARG A 8 13.882 -3.599 3.895 1.00 1.61 H new ATOM 0 HD3 ARG A 8 12.266 -3.441 3.237 1.00 1.61 H new ATOM 0 HE ARG A 8 13.896 -4.582 1.207 1.00 1.92 H new ATOM 0 HH11 ARG A 8 12.595 -5.392 4.397 1.00 3.51 H new ATOM 0 HH12 ARG A 8 12.602 -7.130 4.079 1.00 3.51 H new ATOM 0 HH21 ARG A 8 13.900 -6.805 0.816 1.00 3.56 H new ATOM 0 HH22 ARG A 8 13.337 -7.926 2.060 1.00 3.56 H new ATOM 137 N LYS A 9 12.673 1.683 4.096 1.00 0.56 N ATOM 138 CA LYS A 9 12.781 2.877 4.929 1.00 0.56 C ATOM 139 C LYS A 9 11.438 3.258 5.543 1.00 0.50 C ATOM 140 O LYS A 9 11.378 3.705 6.685 1.00 0.50 O ATOM 141 CB LYS A 9 13.336 4.050 4.118 1.00 0.60 C ATOM 142 CG LYS A 9 14.834 3.966 3.878 1.00 1.06 C ATOM 143 CD LYS A 9 15.614 4.110 5.177 1.00 1.67 C ATOM 144 CE LYS A 9 17.109 3.994 4.946 1.00 2.14 C ATOM 145 NZ LYS A 9 17.883 4.226 6.193 1.00 2.75 N ATOM 0 H LYS A 9 12.843 1.846 3.104 1.00 0.56 H new ATOM 0 HA LYS A 9 13.470 2.646 5.741 1.00 0.56 H new ATOM 0 HB2 LYS A 9 12.824 4.091 3.157 1.00 0.60 H new ATOM 0 HB3 LYS A 9 13.111 4.980 4.639 1.00 0.60 H new ATOM 0 HG2 LYS A 9 15.076 3.012 3.411 1.00 1.06 H new ATOM 0 HG3 LYS A 9 15.137 4.748 3.182 1.00 1.06 H new ATOM 0 HD2 LYS A 9 15.389 5.075 5.632 1.00 1.67 H new ATOM 0 HD3 LYS A 9 15.293 3.343 5.882 1.00 1.67 H new ATOM 0 HE2 LYS A 9 17.340 3.003 4.555 1.00 2.14 H new ATOM 0 HE3 LYS A 9 17.416 4.715 4.189 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 18.900 4.138 5.992 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 17.683 5.181 6.553 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 17.609 3.522 6.908 1.00 2.75 H new ATOM 151 N ALA A 10 10.367 3.083 4.784 1.00 0.47 N ATOM 152 CA ALA A 10 9.033 3.409 5.266 1.00 0.44 C ATOM 153 C ALA A 10 8.642 2.491 6.417 1.00 0.45 C ATOM 154 O ALA A 10 8.027 2.925 7.385 1.00 0.47 O ATOM 155 CB ALA A 10 8.016 3.317 4.141 1.00 0.44 C ATOM 0 H ALA A 10 10.395 2.717 3.832 1.00 0.47 H new ATOM 0 HA ALA A 10 9.044 4.436 5.632 1.00 0.44 H new ATOM 0 HB1 ALA A 10 7.026 3.565 4.524 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.284 4.017 3.350 1.00 0.44 H new ATOM 0 HB3 ALA A 10 8.007 2.303 3.741 1.00 0.44 H new ATOM 161 N GLN A 11 9.003 1.224 6.301 1.00 0.47 N ATOM 162 CA GLN A 11 8.703 0.249 7.335 1.00 0.53 C ATOM 163 C GLN A 11 9.574 0.492 8.566 1.00 0.58 C ATOM 164 O GLN A 11 9.112 0.385 9.705 1.00 0.63 O ATOM 165 CB GLN A 11 8.917 -1.164 6.789 1.00 0.59 C ATOM 166 CG GLN A 11 8.457 -2.267 7.726 1.00 1.07 C ATOM 167 CD GLN A 11 8.552 -3.644 7.096 1.00 1.69 C ATOM 168 OE1 GLN A 11 9.627 -4.085 6.691 1.00 2.18 O ATOM 169 NE2 GLN A 11 7.425 -4.333 7.003 1.00 2.44 N ATOM 0 H GLN A 11 9.506 0.846 5.498 1.00 0.47 H new ATOM 0 HA GLN A 11 7.660 0.355 7.634 1.00 0.53 H new ATOM 0 HB2 GLN A 11 8.385 -1.261 5.843 1.00 0.59 H new ATOM 0 HB3 GLN A 11 9.977 -1.303 6.575 1.00 0.59 H new ATOM 0 HG2 GLN A 11 9.061 -2.244 8.633 1.00 1.07 H new ATOM 0 HG3 GLN A 11 7.426 -2.078 8.025 1.00 1.07 H new ATOM 0 HE21 GLN A 11 6.553 -3.934 7.350 1.00 2.44 H new ATOM 0 HE22 GLN A 11 7.429 -5.263 6.584 1.00 2.44 H new ATOM 174 N ASP A 12 10.845 0.783 8.325 1.00 0.61 N ATOM 175 CA ASP A 12 11.811 0.991 9.399 1.00 0.73 C ATOM 176 C ASP A 12 11.604 2.327 10.113 1.00 0.68 C ATOM 177 O ASP A 12 11.602 2.390 11.342 1.00 0.73 O ATOM 178 CB ASP A 12 13.233 0.914 8.823 1.00 0.92 C ATOM 179 CG ASP A 12 14.300 1.467 9.753 1.00 0.95 C ATOM 180 OD1 ASP A 12 14.402 2.708 9.876 1.00 1.43 O ATOM 181 OD2 ASP A 12 15.026 0.671 10.385 1.00 1.32 O ATOM 0 H ASP A 12 11.235 0.881 7.388 1.00 0.61 H new ATOM 0 HA ASP A 12 11.663 0.206 10.141 1.00 0.73 H new ATOM 0 HB2 ASP A 12 13.467 -0.126 8.594 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.264 1.463 7.882 1.00 0.92 H new ATOM 184 N THR A 13 11.528 3.399 9.342 1.00 0.64 N ATOM 185 CA THR A 13 11.484 4.739 9.908 1.00 0.68 C ATOM 186 C THR A 13 10.054 5.260 10.038 1.00 0.58 C ATOM 187 O THR A 13 9.667 5.777 11.090 1.00 0.95 O ATOM 188 CB THR A 13 12.312 5.708 9.044 1.00 0.96 C ATOM 189 OG1 THR A 13 13.597 5.132 8.769 1.00 1.96 O ATOM 190 CG2 THR A 13 12.493 7.045 9.744 1.00 1.02 C ATOM 0 H THR A 13 11.495 3.369 8.323 1.00 0.64 H new ATOM 0 HA THR A 13 11.910 4.682 10.910 1.00 0.68 H new ATOM 0 HB THR A 13 11.776 5.878 8.110 1.00 0.96 H new ATOM 0 HG1 THR A 13 13.731 4.345 9.337 1.00 1.96 H new ATOM 0 HG21 THR A 13 13.081 7.710 9.112 1.00 1.02 H new ATOM 0 HG22 THR A 13 11.517 7.492 9.932 1.00 1.02 H new ATOM 0 HG23 THR A 13 13.011 6.893 10.691 1.00 1.02 H new ATOM 198 N GLY A 14 9.282 5.142 8.966 1.00 0.59 N ATOM 199 CA GLY A 14 7.915 5.625 8.977 1.00 0.55 C ATOM 200 C GLY A 14 6.961 4.663 9.655 1.00 0.50 C ATOM 201 O GLY A 14 7.274 4.097 10.705 1.00 0.64 O ATOM 0 H GLY A 14 9.579 4.719 8.087 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.878 6.587 9.487 1.00 0.55 H new ATOM 0 HA3 GLY A 14 7.586 5.795 7.952 1.00 0.55 H new ATOM 205 N LYS A 15 5.808 4.449 9.039 1.00 0.47 N ATOM 206 CA LYS A 15 4.811 3.531 9.570 1.00 0.55 C ATOM 207 C LYS A 15 4.152 2.749 8.439 1.00 0.41 C ATOM 208 O LYS A 15 3.444 3.324 7.609 1.00 0.42 O ATOM 209 CB LYS A 15 3.736 4.295 10.354 1.00 0.85 C ATOM 210 CG LYS A 15 4.268 5.076 11.548 1.00 1.63 C ATOM 211 CD LYS A 15 3.150 5.802 12.278 1.00 2.21 C ATOM 212 CE LYS A 15 3.673 6.576 13.478 1.00 2.74 C ATOM 213 NZ LYS A 15 4.534 7.724 13.082 1.00 3.52 N ATOM 0 H LYS A 15 5.539 4.902 8.166 1.00 0.47 H new ATOM 0 HA LYS A 15 5.316 2.837 10.242 1.00 0.55 H new ATOM 0 HB2 LYS A 15 3.232 4.986 9.678 1.00 0.85 H new ATOM 0 HB3 LYS A 15 2.985 3.586 10.703 1.00 0.85 H new ATOM 0 HG2 LYS A 15 4.771 4.396 12.235 1.00 1.63 H new ATOM 0 HG3 LYS A 15 5.013 5.797 11.211 1.00 1.63 H new ATOM 0 HD2 LYS A 15 2.652 6.487 11.592 1.00 2.21 H new ATOM 0 HD3 LYS A 15 2.402 5.081 12.608 1.00 2.21 H new ATOM 0 HE2 LYS A 15 2.831 6.943 14.065 1.00 2.74 H new ATOM 0 HE3 LYS A 15 4.241 5.904 14.121 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 4.768 8.289 13.923 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 5.410 7.368 12.649 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 4.026 8.319 12.397 1.00 3.52 H new ATOM 219 N ILE A 16 4.362 1.438 8.431 1.00 0.40 N ATOM 220 CA ILE A 16 3.767 0.568 7.425 1.00 0.37 C ATOM 221 C ILE A 16 2.919 -0.512 8.088 1.00 0.38 C ATOM 222 O ILE A 16 3.379 -1.222 8.984 1.00 0.48 O ATOM 223 CB ILE A 16 4.846 -0.103 6.540 1.00 0.51 C ATOM 224 CG1 ILE A 16 5.616 0.946 5.736 1.00 0.59 C ATOM 225 CG2 ILE A 16 4.218 -1.131 5.606 1.00 0.63 C ATOM 226 CD1 ILE A 16 4.750 1.741 4.787 1.00 0.99 C ATOM 0 H ILE A 16 4.943 0.952 9.114 1.00 0.40 H new ATOM 0 HA ILE A 16 3.138 1.192 6.790 1.00 0.37 H new ATOM 0 HB ILE A 16 5.547 -0.618 7.197 1.00 0.51 H new ATOM 0 HG12 ILE A 16 6.107 1.632 6.427 1.00 0.59 H new ATOM 0 HG13 ILE A 16 6.402 0.450 5.167 1.00 0.59 H new ATOM 0 HG21 ILE A 16 4.995 -1.589 4.994 1.00 0.63 H new ATOM 0 HG22 ILE A 16 3.719 -1.901 6.195 1.00 0.63 H new ATOM 0 HG23 ILE A 16 3.490 -0.639 4.960 1.00 0.63 H new ATOM 0 HD11 ILE A 16 5.365 2.465 4.252 1.00 0.99 H new ATOM 0 HD12 ILE A 16 4.279 1.066 4.072 1.00 0.99 H new ATOM 0 HD13 ILE A 16 3.980 2.267 5.351 1.00 0.99 H new ATOM 236 N VAL A 17 1.683 -0.638 7.638 1.00 0.36 N ATOM 237 CA VAL A 17 0.771 -1.635 8.170 1.00 0.37 C ATOM 238 C VAL A 17 0.328 -2.579 7.061 1.00 0.37 C ATOM 239 O VAL A 17 -0.002 -2.134 5.965 1.00 0.59 O ATOM 240 CB VAL A 17 -0.478 -0.973 8.798 1.00 0.51 C ATOM 241 CG1 VAL A 17 -1.361 -2.004 9.487 1.00 0.83 C ATOM 242 CG2 VAL A 17 -0.072 0.120 9.771 1.00 1.04 C ATOM 0 H VAL A 17 1.286 -0.057 6.900 1.00 0.36 H new ATOM 0 HA VAL A 17 1.300 -2.191 8.944 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.058 -0.521 7.993 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -2.231 -1.508 9.919 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -1.690 -2.746 8.759 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -0.795 -2.497 10.277 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -0.965 0.573 10.202 1.00 1.04 H new ATOM 0 HG22 VAL A 17 0.537 -0.309 10.566 1.00 1.04 H new ATOM 0 HG23 VAL A 17 0.503 0.881 9.244 1.00 1.04 H new ATOM 252 N MET A 18 0.240 -3.866 7.366 1.00 0.32 N ATOM 253 CA MET A 18 -0.301 -4.820 6.412 1.00 0.42 C ATOM 254 C MET A 18 -1.782 -4.538 6.221 1.00 0.63 C ATOM 255 O MET A 18 -2.510 -4.333 7.192 1.00 0.87 O ATOM 256 CB MET A 18 -0.093 -6.261 6.886 1.00 0.74 C ATOM 257 CG MET A 18 1.358 -6.707 6.863 1.00 1.20 C ATOM 258 SD MET A 18 1.561 -8.436 7.341 1.00 1.77 S ATOM 259 CE MET A 18 0.598 -9.256 6.072 1.00 2.03 C ATOM 0 H MET A 18 0.533 -4.269 8.256 1.00 0.32 H new ATOM 0 HA MET A 18 0.225 -4.708 5.464 1.00 0.42 H new ATOM 0 HB2 MET A 18 -0.478 -6.360 7.901 1.00 0.74 H new ATOM 0 HB3 MET A 18 -0.680 -6.930 6.256 1.00 0.74 H new ATOM 0 HG2 MET A 18 1.763 -6.561 5.862 1.00 1.20 H new ATOM 0 HG3 MET A 18 1.939 -6.077 7.537 1.00 1.20 H new ATOM 0 HE1 MET A 18 0.936 -10.287 5.968 1.00 2.03 H new ATOM 0 HE2 MET A 18 -0.456 -9.246 6.352 1.00 2.03 H new ATOM 0 HE3 MET A 18 0.727 -8.734 5.124 1.00 2.03 H new ATOM 265 N GLY A 19 -2.188 -4.386 4.975 1.00 0.70 N ATOM 266 CA GLY A 19 -3.537 -3.975 4.694 1.00 1.09 C ATOM 267 C GLY A 19 -4.425 -5.126 4.303 1.00 0.88 C ATOM 268 O GLY A 19 -4.869 -5.895 5.156 1.00 1.71 O ATOM 0 H GLY A 19 -1.604 -4.541 4.153 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -3.953 -3.483 5.573 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.528 -3.239 3.890 1.00 1.09 H new ATOM 272 N ALA A 20 -4.773 -5.161 3.025 1.00 0.76 N ATOM 273 CA ALA A 20 -5.711 -6.133 2.497 1.00 0.53 C ATOM 274 C ALA A 20 -7.064 -6.002 3.192 1.00 0.48 C ATOM 275 O ALA A 20 -7.725 -4.970 3.080 1.00 0.49 O ATOM 276 CB ALA A 20 -5.158 -7.549 2.611 1.00 0.67 C ATOM 0 H ALA A 20 -4.410 -4.513 2.326 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.857 -5.928 1.436 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -5.883 -8.256 2.207 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -4.227 -7.622 2.049 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -4.968 -7.782 3.659 1.00 0.67 H new ATOM 282 N ARG A 21 -7.436 -7.013 3.968 1.00 0.50 N ATOM 283 CA ARG A 21 -8.685 -6.984 4.719 1.00 0.54 C ATOM 284 C ARG A 21 -8.627 -5.955 5.852 1.00 0.49 C ATOM 285 O ARG A 21 -9.622 -5.301 6.155 1.00 0.54 O ATOM 286 CB ARG A 21 -9.020 -8.380 5.258 1.00 0.66 C ATOM 287 CG ARG A 21 -7.981 -8.952 6.212 1.00 1.48 C ATOM 288 CD ARG A 21 -8.217 -10.435 6.458 1.00 1.94 C ATOM 289 NE ARG A 21 -7.349 -10.965 7.510 1.00 2.79 N ATOM 290 CZ ARG A 21 -7.255 -12.258 7.824 1.00 3.74 C ATOM 291 NH1 ARG A 21 -7.892 -13.169 7.099 1.00 4.12 N ATOM 292 NH2 ARG A 21 -6.510 -12.642 8.854 1.00 4.68 N ATOM 0 H ARG A 21 -6.889 -7.865 4.094 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.482 -6.680 4.040 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -9.981 -8.337 5.770 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -9.137 -9.063 4.416 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -6.983 -8.804 5.799 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -8.017 -8.413 7.159 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -9.259 -10.594 6.734 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -8.044 -10.987 5.534 1.00 1.94 H new ATOM 0 HE ARG A 21 -6.779 -10.303 8.037 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -8.456 -12.881 6.299 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -7.818 -14.157 7.342 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -6.008 -11.948 9.407 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -6.440 -13.631 9.092 1.00 4.68 H new ATOM 300 N LYS A 22 -7.443 -5.766 6.431 1.00 0.46 N ATOM 301 CA LYS A 22 -7.254 -4.761 7.477 1.00 0.49 C ATOM 302 C LYS A 22 -7.228 -3.356 6.883 1.00 0.47 C ATOM 303 O LYS A 22 -7.543 -2.376 7.559 1.00 0.49 O ATOM 304 CB LYS A 22 -5.967 -5.021 8.261 1.00 0.50 C ATOM 305 CG LYS A 22 -5.997 -6.313 9.055 1.00 0.80 C ATOM 306 CD LYS A 22 -4.816 -6.422 10.008 1.00 1.14 C ATOM 307 CE LYS A 22 -3.492 -6.508 9.266 1.00 1.61 C ATOM 308 NZ LYS A 22 -2.346 -6.647 10.201 1.00 1.91 N ATOM 0 H LYS A 22 -6.602 -6.293 6.195 1.00 0.46 H new ATOM 0 HA LYS A 22 -8.099 -4.835 8.162 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -5.127 -5.049 7.567 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -5.791 -4.188 8.942 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -6.927 -6.369 9.621 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.990 -7.160 8.370 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -4.804 -5.557 10.671 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -4.937 -7.304 10.636 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -3.511 -7.359 8.585 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -3.358 -5.615 8.656 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -1.522 -7.019 9.687 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -2.112 -5.717 10.604 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -2.601 -7.302 10.967 1.00 1.91 H new ATOM 314 N SER A 23 -6.848 -3.274 5.614 1.00 0.46 N ATOM 315 CA SER A 23 -6.764 -2.000 4.911 1.00 0.48 C ATOM 316 C SER A 23 -8.130 -1.334 4.828 1.00 0.48 C ATOM 317 O SER A 23 -8.225 -0.107 4.747 1.00 0.50 O ATOM 318 CB SER A 23 -6.197 -2.202 3.504 1.00 0.52 C ATOM 319 OG SER A 23 -5.818 -0.970 2.923 1.00 1.14 O ATOM 0 H SER A 23 -6.591 -4.082 5.047 1.00 0.46 H new ATOM 0 HA SER A 23 -6.095 -1.349 5.474 1.00 0.48 H new ATOM 0 HB2 SER A 23 -5.334 -2.866 3.549 1.00 0.52 H new ATOM 0 HB3 SER A 23 -6.942 -2.689 2.875 1.00 0.52 H new ATOM 0 HG SER A 23 -4.977 -1.084 2.433 1.00 1.14 H new ATOM 323 N ILE A 24 -9.184 -2.145 4.840 1.00 0.49 N ATOM 324 CA ILE A 24 -10.546 -1.635 4.754 1.00 0.52 C ATOM 325 C ILE A 24 -10.824 -0.681 5.912 1.00 0.49 C ATOM 326 O ILE A 24 -11.354 0.407 5.710 1.00 0.52 O ATOM 327 CB ILE A 24 -11.595 -2.771 4.783 1.00 0.57 C ATOM 328 CG1 ILE A 24 -11.214 -3.903 3.816 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.980 -2.227 4.453 1.00 0.60 C ATOM 330 CD1 ILE A 24 -11.051 -3.471 2.375 1.00 0.66 C ATOM 0 H ILE A 24 -9.119 -3.161 4.909 1.00 0.49 H new ATOM 0 HA ILE A 24 -10.631 -1.112 3.801 1.00 0.52 H new ATOM 0 HB ILE A 24 -11.615 -3.185 5.791 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.281 -4.354 4.154 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -11.979 -4.678 3.865 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -13.706 -3.040 4.478 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -13.258 -1.470 5.186 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.968 -1.781 3.458 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.782 -4.333 1.765 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -11.989 -3.049 2.013 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -10.265 -2.719 2.307 1.00 0.66 H new ATOM 340 N GLN A 25 -10.383 -1.064 7.107 1.00 0.47 N ATOM 341 CA GLN A 25 -10.539 -0.227 8.294 1.00 0.49 C ATOM 342 C GLN A 25 -9.785 1.093 8.135 1.00 0.44 C ATOM 343 O GLN A 25 -10.328 2.168 8.399 1.00 0.47 O ATOM 344 CB GLN A 25 -10.027 -0.969 9.531 1.00 0.54 C ATOM 345 CG GLN A 25 -10.130 -0.162 10.817 1.00 0.81 C ATOM 346 CD GLN A 25 -9.391 -0.805 11.976 1.00 1.35 C ATOM 347 OE1 GLN A 25 -8.180 -1.027 11.910 1.00 2.19 O ATOM 348 NE2 GLN A 25 -10.105 -1.099 13.051 1.00 1.75 N ATOM 0 H GLN A 25 -9.913 -1.952 7.280 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.599 -0.007 8.417 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.591 -1.894 9.648 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.986 -1.248 9.371 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -9.730 0.837 10.646 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -11.180 -0.043 11.083 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -11.105 -0.901 13.069 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -9.655 -1.524 13.862 1.00 1.75 H new ATOM 353 N TYR A 26 -8.527 1.002 7.714 1.00 0.41 N ATOM 354 CA TYR A 26 -7.682 2.183 7.553 1.00 0.42 C ATOM 355 C TYR A 26 -8.245 3.139 6.508 1.00 0.42 C ATOM 356 O TYR A 26 -8.279 4.352 6.723 1.00 0.46 O ATOM 357 CB TYR A 26 -6.256 1.777 7.175 1.00 0.43 C ATOM 358 CG TYR A 26 -5.385 1.433 8.363 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.781 0.459 9.269 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.167 2.072 8.576 1.00 0.56 C ATOM 361 CE1 TYR A 26 -4.990 0.129 10.352 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.371 1.747 9.659 1.00 0.62 C ATOM 363 CZ TYR A 26 -3.780 0.827 10.551 1.00 0.57 C ATOM 364 OH TYR A 26 -2.998 0.441 11.620 1.00 0.66 O ATOM 0 H TYR A 26 -8.069 0.122 7.478 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.664 2.703 8.511 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.298 0.918 6.506 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.791 2.591 6.619 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.723 -0.049 9.125 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -3.838 2.834 7.884 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.293 -0.651 11.035 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -2.416 2.234 9.789 1.00 0.62 H new ATOM 0 HH TYR A 26 -3.132 -0.514 11.796 1.00 0.66 H new ATOM 372 N ALA A 27 -8.690 2.588 5.385 1.00 0.40 N ATOM 373 CA ALA A 27 -9.267 3.390 4.311 1.00 0.44 C ATOM 374 C ALA A 27 -10.595 3.995 4.745 1.00 0.48 C ATOM 375 O ALA A 27 -10.907 5.140 4.419 1.00 0.55 O ATOM 376 CB ALA A 27 -9.455 2.544 3.062 1.00 0.47 C ATOM 0 H ALA A 27 -8.662 1.587 5.193 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.578 4.203 4.082 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -9.886 3.156 2.270 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.490 2.156 2.736 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.124 1.712 3.283 1.00 0.47 H new ATOM 382 N LYS A 28 -11.371 3.202 5.471 1.00 0.48 N ATOM 383 CA LYS A 28 -12.683 3.612 5.953 1.00 0.56 C ATOM 384 C LYS A 28 -12.558 4.787 6.920 1.00 0.62 C ATOM 385 O LYS A 28 -13.256 5.793 6.789 1.00 0.73 O ATOM 386 CB LYS A 28 -13.349 2.422 6.644 1.00 0.58 C ATOM 387 CG LYS A 28 -14.852 2.534 6.791 1.00 1.02 C ATOM 388 CD LYS A 28 -15.438 1.234 7.319 1.00 1.11 C ATOM 389 CE LYS A 28 -16.952 1.273 7.362 1.00 1.31 C ATOM 390 NZ LYS A 28 -17.455 2.366 8.231 1.00 2.06 N ATOM 0 H LYS A 28 -11.108 2.255 5.743 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.294 3.936 5.110 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -13.119 1.517 6.081 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -12.909 2.302 7.634 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -15.096 3.351 7.470 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -15.300 2.776 5.827 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -15.114 0.407 6.687 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -15.051 1.041 8.320 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -17.340 1.405 6.352 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -17.329 0.317 7.726 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -18.485 2.275 8.342 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -17.000 2.305 9.164 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -17.233 3.285 7.797 1.00 2.06 H new ATOM 396 N MET A 29 -11.661 4.650 7.885 1.00 0.60 N ATOM 397 CA MET A 29 -11.441 5.693 8.881 1.00 0.73 C ATOM 398 C MET A 29 -10.718 6.892 8.277 1.00 0.75 C ATOM 399 O MET A 29 -10.971 8.039 8.658 1.00 1.07 O ATOM 400 CB MET A 29 -10.635 5.144 10.060 1.00 1.26 C ATOM 401 CG MET A 29 -11.391 4.124 10.895 1.00 1.48 C ATOM 402 SD MET A 29 -10.403 3.470 12.255 1.00 2.39 S ATOM 403 CE MET A 29 -11.608 2.423 13.069 1.00 3.09 C ATOM 0 H MET A 29 -11.072 3.826 8.001 1.00 0.60 H new ATOM 0 HA MET A 29 -12.418 6.023 9.235 1.00 0.73 H new ATOM 0 HB2 MET A 29 -9.721 4.685 9.682 1.00 1.26 H new ATOM 0 HB3 MET A 29 -10.334 5.973 10.700 1.00 1.26 H new ATOM 0 HG2 MET A 29 -12.293 4.586 11.296 1.00 1.48 H new ATOM 0 HG3 MET A 29 -11.711 3.302 10.255 1.00 1.48 H new ATOM 0 HE1 MET A 29 -11.123 1.864 13.869 1.00 3.09 H new ATOM 0 HE2 MET A 29 -12.402 3.040 13.488 1.00 3.09 H new ATOM 0 HE3 MET A 29 -12.033 1.727 12.346 1.00 3.09 H new ATOM 409 N GLY A 30 -9.781 6.616 7.385 1.00 0.77 N ATOM 410 CA GLY A 30 -8.974 7.668 6.803 1.00 1.31 C ATOM 411 C GLY A 30 -7.683 7.875 7.572 1.00 0.87 C ATOM 412 O GLY A 30 -7.264 9.008 7.808 1.00 1.43 O ATOM 0 H GLY A 30 -9.563 5.677 7.052 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.745 7.420 5.767 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.543 8.598 6.790 1.00 1.31 H new ATOM 416 N GLY A 31 -7.076 6.771 7.993 1.00 0.71 N ATOM 417 CA GLY A 31 -5.850 6.839 8.766 1.00 1.01 C ATOM 418 C GLY A 31 -4.606 6.730 7.903 1.00 1.00 C ATOM 419 O GLY A 31 -3.603 7.389 8.165 1.00 1.67 O ATOM 0 H GLY A 31 -7.413 5.826 7.812 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.824 7.780 9.316 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -5.846 6.037 9.505 1.00 1.01 H new ATOM 423 N ALA A 32 -4.655 5.857 6.906 1.00 0.55 N ATOM 424 CA ALA A 32 -3.507 5.622 6.036 1.00 0.47 C ATOM 425 C ALA A 32 -3.279 6.792 5.086 1.00 0.42 C ATOM 426 O ALA A 32 -4.227 7.330 4.516 1.00 0.45 O ATOM 427 CB ALA A 32 -3.701 4.335 5.254 1.00 0.45 C ATOM 0 H ALA A 32 -5.478 5.299 6.678 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.621 5.528 6.664 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -2.839 4.168 4.608 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -3.802 3.500 5.947 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.602 4.412 4.645 1.00 0.45 H new ATOM 433 N LYS A 33 -2.019 7.166 4.902 1.00 0.43 N ATOM 434 CA LYS A 33 -1.659 8.247 3.990 1.00 0.45 C ATOM 435 C LYS A 33 -1.703 7.763 2.543 1.00 0.40 C ATOM 436 O LYS A 33 -2.257 8.427 1.671 1.00 0.43 O ATOM 437 CB LYS A 33 -0.263 8.778 4.333 1.00 0.54 C ATOM 438 CG LYS A 33 0.246 9.893 3.424 1.00 1.19 C ATOM 439 CD LYS A 33 -0.508 11.207 3.615 1.00 1.27 C ATOM 440 CE LYS A 33 -1.769 11.275 2.764 1.00 1.41 C ATOM 441 NZ LYS A 33 -2.430 12.607 2.840 1.00 1.85 N ATOM 0 H LYS A 33 -1.225 6.735 5.375 1.00 0.43 H new ATOM 0 HA LYS A 33 -2.381 9.055 4.103 1.00 0.45 H new ATOM 0 HB2 LYS A 33 -0.272 9.143 5.360 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.444 7.949 4.296 1.00 0.54 H new ATOM 0 HG2 LYS A 33 1.306 10.057 3.617 1.00 1.19 H new ATOM 0 HG3 LYS A 33 0.157 9.577 2.385 1.00 1.19 H new ATOM 0 HD2 LYS A 33 -0.774 11.322 4.666 1.00 1.27 H new ATOM 0 HD3 LYS A 33 0.147 12.040 3.359 1.00 1.27 H new ATOM 0 HE2 LYS A 33 -1.517 11.055 1.727 1.00 1.41 H new ATOM 0 HE3 LYS A 33 -2.468 10.506 3.092 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 -3.283 12.606 2.245 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -2.695 12.807 3.825 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 -1.774 13.340 2.502 1.00 1.85 H new ATOM 447 N LEU A 34 -1.137 6.593 2.303 1.00 0.36 N ATOM 448 CA LEU A 34 -1.131 6.001 0.972 1.00 0.34 C ATOM 449 C LEU A 34 -1.347 4.500 1.073 1.00 0.32 C ATOM 450 O LEU A 34 -0.648 3.822 1.817 1.00 0.49 O ATOM 451 CB LEU A 34 0.202 6.293 0.272 1.00 0.40 C ATOM 452 CG LEU A 34 0.396 5.620 -1.090 1.00 0.51 C ATOM 453 CD1 LEU A 34 -0.605 6.147 -2.102 1.00 1.06 C ATOM 454 CD2 LEU A 34 1.814 5.834 -1.589 1.00 0.99 C ATOM 0 H LEU A 34 -0.673 6.030 3.015 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.940 6.438 0.386 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.294 7.371 0.141 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.013 5.981 0.930 1.00 0.40 H new ATOM 0 HG LEU A 34 0.226 4.550 -0.968 1.00 0.51 H new ATOM 0 HD11 LEU A 34 -0.447 5.654 -3.061 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.617 5.944 -1.752 1.00 1.06 H new ATOM 0 HD13 LEU A 34 -0.471 7.222 -2.221 1.00 1.06 H new ATOM 0 HD21 LEU A 34 1.936 5.350 -2.558 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.007 6.902 -1.690 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.519 5.404 -0.877 1.00 0.99 H new ATOM 464 N ILE A 35 -2.293 3.974 0.320 1.00 0.26 N ATOM 465 CA ILE A 35 -2.527 2.539 0.320 1.00 0.23 C ATOM 466 C ILE A 35 -2.078 1.932 -1.002 1.00 0.24 C ATOM 467 O ILE A 35 -2.514 2.355 -2.067 1.00 0.31 O ATOM 468 CB ILE A 35 -4.008 2.196 0.581 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.431 2.732 1.952 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.228 0.689 0.501 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.870 2.435 2.309 1.00 0.30 C ATOM 0 H ILE A 35 -2.907 4.509 -0.294 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.940 2.113 1.134 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.622 2.669 -0.185 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.782 2.303 2.715 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.277 3.811 1.973 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.278 0.464 0.688 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.951 0.333 -0.491 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.612 0.191 1.250 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.093 2.846 3.293 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.529 2.888 1.569 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.026 1.356 2.323 1.00 0.30 H new ATOM 481 N ILE A 36 -1.176 0.967 -0.927 1.00 0.22 N ATOM 482 CA ILE A 36 -0.653 0.322 -2.118 1.00 0.25 C ATOM 483 C ILE A 36 -1.283 -1.055 -2.293 1.00 0.24 C ATOM 484 O ILE A 36 -1.330 -1.845 -1.349 1.00 0.25 O ATOM 485 CB ILE A 36 0.885 0.185 -2.047 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.523 1.554 -1.795 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.434 -0.434 -3.328 1.00 0.34 C ATOM 488 CD1 ILE A 36 3.018 1.501 -1.570 1.00 0.40 C ATOM 0 H ILE A 36 -0.791 0.613 -0.051 1.00 0.22 H new ATOM 0 HA ILE A 36 -0.906 0.947 -2.975 1.00 0.25 H new ATOM 0 HB ILE A 36 1.136 -0.477 -1.218 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.316 2.203 -2.646 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.050 2.010 -0.925 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.518 -0.520 -3.255 1.00 0.34 H new ATOM 0 HG22 ILE A 36 1.000 -1.424 -3.469 1.00 0.34 H new ATOM 0 HG23 ILE A 36 1.177 0.199 -4.177 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.396 2.509 -1.399 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.233 0.880 -0.700 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.503 1.076 -2.449 1.00 0.40 H new ATOM 498 N VAL A 37 -1.773 -1.335 -3.493 1.00 0.25 N ATOM 499 CA VAL A 37 -2.407 -2.616 -3.780 1.00 0.25 C ATOM 500 C VAL A 37 -1.682 -3.340 -4.910 1.00 0.23 C ATOM 501 O VAL A 37 -1.346 -2.739 -5.933 1.00 0.26 O ATOM 502 CB VAL A 37 -3.903 -2.448 -4.147 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.695 -1.927 -2.958 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.078 -1.519 -5.342 1.00 0.31 C ATOM 0 H VAL A 37 -1.744 -0.692 -4.284 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.343 -3.213 -2.870 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.287 -3.431 -4.420 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.742 -1.817 -3.239 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.613 -2.631 -2.130 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.298 -0.959 -2.652 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.138 -1.421 -5.575 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.667 -0.538 -5.103 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.554 -1.932 -6.204 1.00 0.31 H new ATOM 514 N ALA A 38 -1.458 -4.634 -4.723 1.00 0.20 N ATOM 515 CA ALA A 38 -0.815 -5.462 -5.737 1.00 0.21 C ATOM 516 C ALA A 38 -1.745 -5.658 -6.929 1.00 0.27 C ATOM 517 O ALA A 38 -2.963 -5.753 -6.765 1.00 0.33 O ATOM 518 CB ALA A 38 -0.425 -6.804 -5.143 1.00 0.26 C ATOM 0 H ALA A 38 -1.714 -5.136 -3.873 1.00 0.20 H new ATOM 0 HA ALA A 38 0.087 -4.957 -6.083 1.00 0.21 H new ATOM 0 HB1 ALA A 38 0.054 -7.415 -5.908 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.268 -6.648 -4.316 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.317 -7.313 -4.778 1.00 0.26 H new ATOM 524 N ARG A 39 -1.178 -5.685 -8.128 1.00 0.41 N ATOM 525 CA ARG A 39 -1.975 -5.851 -9.337 1.00 0.56 C ATOM 526 C ARG A 39 -2.679 -7.203 -9.346 1.00 0.54 C ATOM 527 O ARG A 39 -3.898 -7.270 -9.497 1.00 0.60 O ATOM 528 CB ARG A 39 -1.108 -5.697 -10.588 1.00 0.77 C ATOM 529 CG ARG A 39 -0.976 -4.260 -11.063 1.00 0.96 C ATOM 530 CD ARG A 39 0.020 -4.131 -12.205 1.00 1.49 C ATOM 531 NE ARG A 39 0.031 -2.778 -12.758 1.00 2.48 N ATOM 532 CZ ARG A 39 0.944 -2.321 -13.615 1.00 3.10 C ATOM 533 NH1 ARG A 39 1.919 -3.114 -14.045 1.00 3.10 N ATOM 534 NH2 ARG A 39 0.868 -1.069 -14.050 1.00 4.14 N ATOM 0 H ARG A 39 -0.175 -5.595 -8.289 1.00 0.41 H new ATOM 0 HA ARG A 39 -2.734 -5.068 -9.344 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -0.115 -6.096 -10.383 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.533 -6.299 -11.391 1.00 0.77 H new ATOM 0 HG2 ARG A 39 -1.950 -3.894 -11.387 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -0.659 -3.630 -10.232 1.00 0.96 H new ATOM 0 HD2 ARG A 39 1.018 -4.388 -11.849 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -0.231 -4.844 -12.990 1.00 1.49 H new ATOM 0 HE ARG A 39 -0.710 -2.140 -12.468 1.00 2.48 H new ATOM 0 HH11 ARG A 39 1.972 -4.079 -13.719 1.00 3.10 H new ATOM 0 HH12 ARG A 39 2.614 -2.758 -14.701 1.00 3.10 H new ATOM 0 HH21 ARG A 39 0.114 -0.462 -13.728 1.00 4.14 H new ATOM 0 HH22 ARG A 39 1.564 -0.714 -14.706 1.00 4.14 H new ATOM 542 N ASN A 40 -1.921 -8.273 -9.141 1.00 0.55 N ATOM 543 CA ASN A 40 -2.486 -9.622 -9.128 1.00 0.64 C ATOM 544 C ASN A 40 -3.047 -9.981 -7.745 1.00 0.58 C ATOM 545 O ASN A 40 -3.092 -11.149 -7.357 1.00 0.87 O ATOM 546 CB ASN A 40 -1.423 -10.641 -9.553 1.00 0.81 C ATOM 547 CG ASN A 40 -2.008 -12.007 -9.863 1.00 1.57 C ATOM 548 OD1 ASN A 40 -2.851 -12.149 -10.753 1.00 2.18 O ATOM 549 ND2 ASN A 40 -1.560 -13.022 -9.141 1.00 2.33 N ATOM 0 H ASN A 40 -0.914 -8.236 -8.981 1.00 0.55 H new ATOM 0 HA ASN A 40 -3.312 -9.649 -9.839 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -0.899 -10.267 -10.433 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -0.683 -10.740 -8.759 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -1.912 -13.964 -9.311 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -0.862 -12.862 -8.414 1.00 2.33 H new ATOM 554 N ALA A 41 -3.572 -8.984 -7.050 1.00 0.46 N ATOM 555 CA ALA A 41 -4.247 -9.216 -5.783 1.00 0.43 C ATOM 556 C ALA A 41 -5.722 -9.509 -6.026 1.00 0.40 C ATOM 557 O ALA A 41 -6.233 -9.260 -7.121 1.00 0.44 O ATOM 558 CB ALA A 41 -4.085 -8.023 -4.859 1.00 0.47 C ATOM 0 H ALA A 41 -3.544 -8.007 -7.342 1.00 0.46 H new ATOM 0 HA ALA A 41 -3.791 -10.080 -5.299 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -4.598 -8.220 -3.918 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.026 -7.853 -4.666 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.515 -7.138 -5.329 1.00 0.47 H new ATOM 564 N ARG A 42 -6.389 -10.076 -5.030 1.00 0.40 N ATOM 565 CA ARG A 42 -7.803 -10.418 -5.157 1.00 0.43 C ATOM 566 C ARG A 42 -8.637 -9.167 -5.428 1.00 0.44 C ATOM 567 O ARG A 42 -8.457 -8.136 -4.772 1.00 0.42 O ATOM 568 CB ARG A 42 -8.304 -11.128 -3.897 1.00 0.50 C ATOM 569 CG ARG A 42 -7.612 -12.456 -3.605 1.00 0.61 C ATOM 570 CD ARG A 42 -7.898 -13.513 -4.672 1.00 1.23 C ATOM 571 NE ARG A 42 -7.235 -13.231 -5.949 1.00 2.10 N ATOM 572 CZ ARG A 42 -5.914 -13.247 -6.136 1.00 2.98 C ATOM 573 NH1 ARG A 42 -5.098 -13.642 -5.164 1.00 3.25 N ATOM 574 NH2 ARG A 42 -5.413 -12.900 -7.314 1.00 3.98 N ATOM 0 H ARG A 42 -5.977 -10.309 -4.127 1.00 0.40 H new ATOM 0 HA ARG A 42 -7.913 -11.098 -6.002 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.167 -10.465 -3.042 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -9.375 -11.304 -3.995 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -6.536 -12.294 -3.538 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -7.940 -12.827 -2.634 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -7.572 -14.487 -4.307 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -8.974 -13.576 -4.834 1.00 1.23 H new ATOM 0 HE ARG A 42 -7.825 -13.007 -6.750 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -5.480 -13.936 -4.265 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -4.090 -13.651 -5.317 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -6.037 -12.623 -8.072 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -4.404 -12.911 -7.462 1.00 3.98 H new ATOM 582 N PRO A 43 -9.522 -9.228 -6.437 1.00 0.50 N ATOM 583 CA PRO A 43 -10.346 -8.085 -6.853 1.00 0.58 C ATOM 584 C PRO A 43 -11.216 -7.554 -5.721 1.00 0.60 C ATOM 585 O PRO A 43 -11.343 -6.345 -5.548 1.00 0.64 O ATOM 586 CB PRO A 43 -11.219 -8.654 -7.974 1.00 0.67 C ATOM 587 CG PRO A 43 -10.462 -9.827 -8.486 1.00 0.86 C ATOM 588 CD PRO A 43 -9.751 -10.404 -7.297 1.00 0.55 C ATOM 0 HA PRO A 43 -9.733 -7.239 -7.163 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -12.200 -8.948 -7.601 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -11.385 -7.917 -8.759 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -11.133 -10.560 -8.934 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -9.753 -9.528 -9.259 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -10.355 -11.159 -6.794 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -8.814 -10.883 -7.582 1.00 0.55 H new ATOM 590 N ASP A 44 -11.797 -8.468 -4.948 1.00 0.61 N ATOM 591 CA ASP A 44 -12.664 -8.098 -3.832 1.00 0.68 C ATOM 592 C ASP A 44 -11.924 -7.221 -2.826 1.00 0.60 C ATOM 593 O ASP A 44 -12.494 -6.275 -2.277 1.00 0.65 O ATOM 594 CB ASP A 44 -13.232 -9.353 -3.150 1.00 0.77 C ATOM 595 CG ASP A 44 -12.168 -10.292 -2.612 1.00 1.62 C ATOM 596 OD1 ASP A 44 -11.604 -10.002 -1.537 1.00 2.48 O ATOM 597 OD2 ASP A 44 -11.885 -11.320 -3.256 1.00 2.04 O ATOM 0 H ASP A 44 -11.683 -9.474 -5.075 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.496 -7.517 -4.230 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -13.882 -9.047 -2.330 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -13.853 -9.894 -3.864 1.00 0.77 H new ATOM 600 N ILE A 45 -10.639 -7.490 -2.640 1.00 0.50 N ATOM 601 CA ILE A 45 -9.812 -6.690 -1.751 1.00 0.44 C ATOM 602 C ILE A 45 -9.486 -5.338 -2.384 1.00 0.40 C ATOM 603 O ILE A 45 -9.733 -4.290 -1.790 1.00 0.38 O ATOM 604 CB ILE A 45 -8.500 -7.429 -1.389 1.00 0.45 C ATOM 605 CG1 ILE A 45 -8.796 -8.634 -0.492 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.505 -6.494 -0.710 1.00 0.42 C ATOM 607 CD1 ILE A 45 -9.421 -8.263 0.836 1.00 0.62 C ATOM 0 H ILE A 45 -10.147 -8.259 -3.095 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.380 -6.525 -0.836 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.049 -7.782 -2.316 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.464 -9.314 -1.021 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -7.868 -9.176 -0.308 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.595 -7.044 -0.469 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.264 -5.670 -1.381 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -7.944 -6.099 0.206 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -9.602 -9.167 1.418 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -8.746 -7.607 1.385 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.366 -7.748 0.662 1.00 0.62 H new ATOM 617 N LYS A 46 -8.946 -5.376 -3.599 1.00 0.45 N ATOM 618 CA LYS A 46 -8.545 -4.163 -4.309 1.00 0.50 C ATOM 619 C LYS A 46 -9.711 -3.193 -4.478 1.00 0.52 C ATOM 620 O LYS A 46 -9.574 -1.993 -4.232 1.00 0.51 O ATOM 621 CB LYS A 46 -7.987 -4.522 -5.688 1.00 0.58 C ATOM 622 CG LYS A 46 -6.733 -5.380 -5.643 1.00 0.59 C ATOM 623 CD LYS A 46 -6.343 -5.861 -7.032 1.00 0.74 C ATOM 624 CE LYS A 46 -6.022 -4.701 -7.963 1.00 1.09 C ATOM 625 NZ LYS A 46 -5.774 -5.160 -9.355 1.00 1.59 N ATOM 0 H LYS A 46 -8.775 -6.239 -4.116 1.00 0.45 H new ATOM 0 HA LYS A 46 -7.777 -3.674 -3.709 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.755 -5.049 -6.254 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -7.766 -3.602 -6.230 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -5.913 -4.807 -5.211 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -6.900 -6.238 -4.992 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.477 -6.519 -6.959 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -7.157 -6.451 -7.454 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -6.849 -3.991 -7.957 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -5.144 -4.171 -7.594 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -5.396 -4.372 -9.918 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -5.087 -5.940 -9.346 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -6.666 -5.489 -9.776 1.00 1.59 H new ATOM 631 N GLU A 47 -10.830 -3.710 -4.968 1.00 0.59 N ATOM 632 CA GLU A 47 -11.988 -2.886 -5.285 1.00 0.65 C ATOM 633 C GLU A 47 -12.529 -2.182 -4.044 1.00 0.55 C ATOM 634 O GLU A 47 -12.879 -1.000 -4.089 1.00 0.55 O ATOM 635 CB GLU A 47 -13.084 -3.751 -5.915 1.00 0.79 C ATOM 636 CG GLU A 47 -14.169 -2.957 -6.626 1.00 1.15 C ATOM 637 CD GLU A 47 -13.650 -2.216 -7.842 1.00 1.76 C ATOM 638 OE1 GLU A 47 -12.819 -1.302 -7.674 1.00 2.60 O ATOM 639 OE2 GLU A 47 -14.074 -2.538 -8.970 1.00 2.06 O ATOM 0 H GLU A 47 -10.960 -4.704 -5.156 1.00 0.59 H new ATOM 0 HA GLU A 47 -11.674 -2.120 -5.994 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -12.626 -4.438 -6.627 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -13.545 -4.359 -5.136 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -14.967 -3.633 -6.931 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -14.606 -2.242 -5.929 1.00 1.15 H new ATOM 642 N ASP A 48 -12.639 -2.923 -2.952 1.00 0.50 N ATOM 643 CA ASP A 48 -13.209 -2.378 -1.727 1.00 0.47 C ATOM 644 C ASP A 48 -12.282 -1.333 -1.118 1.00 0.35 C ATOM 645 O ASP A 48 -12.730 -0.261 -0.710 1.00 0.36 O ATOM 646 CB ASP A 48 -13.492 -3.490 -0.717 1.00 0.55 C ATOM 647 CG ASP A 48 -14.652 -3.145 0.198 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.747 -2.824 -0.306 1.00 1.21 O ATOM 649 OD2 ASP A 48 -14.459 -3.162 1.435 1.00 1.00 O ATOM 0 H ASP A 48 -12.344 -3.897 -2.887 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.153 -1.896 -1.981 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -13.713 -4.415 -1.249 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -12.600 -3.672 -0.118 1.00 0.55 H new ATOM 652 N ILE A 49 -10.983 -1.622 -1.113 1.00 0.29 N ATOM 653 CA ILE A 49 -9.992 -0.688 -0.589 1.00 0.24 C ATOM 654 C ILE A 49 -10.045 0.643 -1.332 1.00 0.26 C ATOM 655 O ILE A 49 -10.164 1.701 -0.711 1.00 0.26 O ATOM 656 CB ILE A 49 -8.560 -1.260 -0.677 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.405 -2.461 0.257 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.534 -0.186 -0.339 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.050 -3.126 0.164 1.00 0.36 C ATOM 0 H ILE A 49 -10.593 -2.496 -1.466 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.240 -0.528 0.460 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.385 -1.594 -1.700 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.572 -2.136 1.284 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.178 -3.194 0.025 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.531 -0.607 -0.406 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.628 0.641 -1.042 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.708 0.177 0.674 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.011 -3.969 0.853 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -6.888 -3.481 -0.854 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.273 -2.407 0.425 1.00 0.36 H new ATOM 669 N GLU A 50 -9.984 0.586 -2.658 1.00 0.31 N ATOM 670 CA GLU A 50 -10.018 1.795 -3.474 1.00 0.39 C ATOM 671 C GLU A 50 -11.327 2.552 -3.279 1.00 0.43 C ATOM 672 O GLU A 50 -11.335 3.778 -3.205 1.00 0.48 O ATOM 673 CB GLU A 50 -9.812 1.463 -4.954 1.00 0.46 C ATOM 674 CG GLU A 50 -8.437 0.894 -5.258 1.00 0.61 C ATOM 675 CD GLU A 50 -8.170 0.753 -6.742 1.00 1.15 C ATOM 676 OE1 GLU A 50 -8.921 0.019 -7.419 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.212 1.383 -7.246 1.00 1.57 O ATOM 0 H GLU A 50 -9.911 -0.281 -3.190 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.199 2.436 -3.147 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.571 0.746 -5.267 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -9.963 2.366 -5.546 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.677 1.540 -4.817 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.341 -0.082 -4.783 1.00 0.61 H new ATOM 680 N TYR A 51 -12.420 1.813 -3.126 1.00 0.44 N ATOM 681 CA TYR A 51 -13.730 2.417 -2.908 1.00 0.52 C ATOM 682 C TYR A 51 -13.742 3.240 -1.624 1.00 0.47 C ATOM 683 O TYR A 51 -14.142 4.406 -1.623 1.00 0.51 O ATOM 684 CB TYR A 51 -14.809 1.331 -2.844 1.00 0.61 C ATOM 685 CG TYR A 51 -16.209 1.866 -2.633 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.737 2.842 -3.468 1.00 0.78 C ATOM 687 CD2 TYR A 51 -17.002 1.390 -1.598 1.00 0.77 C ATOM 688 CE1 TYR A 51 -18.016 3.330 -3.274 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.281 1.872 -1.399 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.782 2.842 -2.239 1.00 0.91 C ATOM 691 OH TYR A 51 -20.058 3.323 -2.046 1.00 1.03 O ATOM 0 H TYR A 51 -12.425 0.793 -3.149 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.942 3.082 -3.745 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.787 0.756 -3.770 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.569 0.642 -2.035 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -16.139 3.226 -4.282 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.612 0.630 -0.937 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.412 4.090 -3.931 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -18.885 1.490 -0.589 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.464 2.874 -1.275 1.00 1.03 H new ATOM 699 N TYR A 52 -13.306 2.625 -0.539 1.00 0.43 N ATOM 700 CA TYR A 52 -13.293 3.274 0.764 1.00 0.42 C ATOM 701 C TYR A 52 -12.253 4.388 0.824 1.00 0.38 C ATOM 702 O TYR A 52 -12.501 5.454 1.387 1.00 0.41 O ATOM 703 CB TYR A 52 -13.028 2.240 1.861 1.00 0.47 C ATOM 704 CG TYR A 52 -14.221 1.360 2.167 1.00 0.53 C ATOM 705 CD1 TYR A 52 -14.893 0.693 1.154 1.00 0.81 C ATOM 706 CD2 TYR A 52 -14.666 1.189 3.468 1.00 0.97 C ATOM 707 CE1 TYR A 52 -15.979 -0.115 1.433 1.00 0.89 C ATOM 708 CE2 TYR A 52 -15.746 0.384 3.754 1.00 1.09 C ATOM 709 CZ TYR A 52 -16.420 -0.242 2.720 1.00 0.84 C ATOM 710 OH TYR A 52 -17.476 -1.069 3.023 1.00 0.97 O ATOM 0 H TYR A 52 -12.953 1.668 -0.533 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.272 3.726 0.925 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.191 1.610 1.560 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -12.726 2.758 2.771 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -14.563 0.807 0.132 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -14.156 1.697 4.273 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -16.478 -0.645 0.635 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -16.064 0.242 4.776 1.00 1.09 H new ATOM 0 HH TYR A 52 -17.651 -1.036 3.987 1.00 0.97 H new ATOM 718 N ALA A 53 -11.081 4.126 0.269 1.00 0.33 N ATOM 719 CA ALA A 53 -9.994 5.093 0.303 1.00 0.34 C ATOM 720 C ALA A 53 -10.360 6.373 -0.440 1.00 0.39 C ATOM 721 O ALA A 53 -10.157 7.471 0.074 1.00 0.42 O ATOM 722 CB ALA A 53 -8.726 4.488 -0.277 1.00 0.34 C ATOM 0 H ALA A 53 -10.857 3.254 -0.210 1.00 0.33 H new ATOM 0 HA ALA A 53 -9.815 5.354 1.346 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -7.923 5.225 -0.244 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.440 3.613 0.307 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -8.904 4.192 -1.311 1.00 0.34 H new ATOM 728 N ARG A 54 -10.880 6.235 -1.655 1.00 0.42 N ATOM 729 CA ARG A 54 -11.200 7.396 -2.484 1.00 0.50 C ATOM 730 C ARG A 54 -12.268 8.280 -1.846 1.00 0.51 C ATOM 731 O ARG A 54 -12.165 9.504 -1.898 1.00 0.55 O ATOM 732 CB ARG A 54 -11.647 6.968 -3.880 1.00 0.57 C ATOM 733 CG ARG A 54 -10.565 6.240 -4.663 1.00 1.11 C ATOM 734 CD ARG A 54 -11.067 5.770 -6.017 1.00 1.37 C ATOM 735 NE ARG A 54 -12.383 5.138 -5.925 1.00 2.13 N ATOM 736 CZ ARG A 54 -12.927 4.401 -6.889 1.00 3.01 C ATOM 737 NH1 ARG A 54 -12.221 4.075 -7.965 1.00 3.33 N ATOM 738 NH2 ARG A 54 -14.175 3.969 -6.754 1.00 4.04 N ATOM 0 H ARG A 54 -11.089 5.335 -2.088 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.285 7.982 -2.568 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -12.519 6.321 -3.792 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -11.960 7.850 -4.440 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -9.710 6.901 -4.802 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -10.215 5.383 -4.088 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -11.120 6.619 -6.699 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.354 5.063 -6.442 1.00 1.37 H new ATOM 0 HE ARG A 54 -12.918 5.271 -5.067 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -11.255 4.390 -8.056 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -12.644 3.509 -8.701 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -14.708 4.203 -5.916 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -14.601 3.403 -7.488 1.00 4.04 H new ATOM 746 N LEU A 55 -13.289 7.671 -1.244 1.00 0.50 N ATOM 747 CA LEU A 55 -14.361 8.447 -0.626 1.00 0.55 C ATOM 748 C LEU A 55 -13.840 9.230 0.580 1.00 0.55 C ATOM 749 O LEU A 55 -14.251 10.365 0.812 1.00 0.61 O ATOM 750 CB LEU A 55 -15.569 7.560 -0.256 1.00 0.61 C ATOM 751 CG LEU A 55 -15.345 6.475 0.809 1.00 0.86 C ATOM 752 CD1 LEU A 55 -15.507 7.038 2.215 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.311 5.319 0.594 1.00 1.37 C ATOM 0 H LEU A 55 -13.396 6.659 -1.172 1.00 0.50 H new ATOM 0 HA LEU A 55 -14.716 9.169 -1.362 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -16.373 8.211 0.089 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -15.921 7.073 -1.165 1.00 0.61 H new ATOM 0 HG LEU A 55 -14.323 6.111 0.707 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -15.342 6.246 2.945 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -14.780 7.835 2.374 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -16.514 7.437 2.333 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -16.142 4.557 1.355 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.336 5.683 0.666 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.148 4.888 -0.394 1.00 1.37 H new ATOM 763 N SER A 56 -12.895 8.644 1.310 1.00 0.52 N ATOM 764 CA SER A 56 -12.275 9.317 2.445 1.00 0.58 C ATOM 765 C SER A 56 -11.278 10.374 1.968 1.00 0.62 C ATOM 766 O SER A 56 -11.123 11.429 2.585 1.00 1.17 O ATOM 767 CB SER A 56 -11.569 8.299 3.344 1.00 0.56 C ATOM 768 OG SER A 56 -12.482 7.331 3.835 1.00 1.28 O ATOM 0 H SER A 56 -12.542 7.703 1.135 1.00 0.52 H new ATOM 0 HA SER A 56 -13.058 9.813 3.018 1.00 0.58 H new ATOM 0 HB2 SER A 56 -10.775 7.804 2.784 1.00 0.56 H new ATOM 0 HB3 SER A 56 -11.096 8.814 4.180 1.00 0.56 H new ATOM 0 HG SER A 56 -11.997 6.512 4.066 1.00 1.28 H new ATOM 772 N GLY A 57 -10.586 10.065 0.880 1.00 0.48 N ATOM 773 CA GLY A 57 -9.582 10.965 0.351 1.00 0.45 C ATOM 774 C GLY A 57 -8.184 10.419 0.541 1.00 0.35 C ATOM 775 O GLY A 57 -7.227 11.173 0.726 1.00 0.47 O ATOM 0 H GLY A 57 -10.704 9.201 0.351 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.766 11.132 -0.710 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.665 11.933 0.845 1.00 0.45 H new ATOM 779 N ILE A 58 -8.070 9.101 0.476 1.00 0.36 N ATOM 780 CA ILE A 58 -6.792 8.425 0.599 1.00 0.31 C ATOM 781 C ILE A 58 -6.320 7.942 -0.766 1.00 0.32 C ATOM 782 O ILE A 58 -7.027 7.198 -1.448 1.00 0.33 O ATOM 783 CB ILE A 58 -6.887 7.211 1.549 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.348 7.654 2.939 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.546 6.492 1.635 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.542 6.507 3.904 1.00 0.35 C ATOM 0 H ILE A 58 -8.861 8.473 0.337 1.00 0.36 H new ATOM 0 HA ILE A 58 -6.081 9.142 1.010 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.624 6.516 1.146 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.615 8.346 3.353 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.286 8.202 2.845 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.633 5.640 2.309 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.256 6.143 0.644 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.789 7.178 2.014 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.869 6.895 4.869 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.297 5.825 3.512 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.600 5.973 4.028 1.00 0.35 H new ATOM 796 N PRO A 59 -5.130 8.375 -1.191 1.00 0.35 N ATOM 797 CA PRO A 59 -4.548 7.961 -2.465 1.00 0.39 C ATOM 798 C PRO A 59 -4.206 6.473 -2.472 1.00 0.36 C ATOM 799 O PRO A 59 -3.652 5.945 -1.500 1.00 0.37 O ATOM 800 CB PRO A 59 -3.269 8.804 -2.580 1.00 0.45 C ATOM 801 CG PRO A 59 -3.401 9.871 -1.546 1.00 0.46 C ATOM 802 CD PRO A 59 -4.245 9.284 -0.456 1.00 0.41 C ATOM 0 HA PRO A 59 -5.238 8.110 -3.296 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.381 8.196 -2.406 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.170 9.234 -3.577 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.424 10.169 -1.166 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -3.867 10.764 -1.963 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.643 8.755 0.282 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.805 10.050 0.080 1.00 0.41 H new ATOM 804 N VAL A 60 -4.531 5.802 -3.564 1.00 0.36 N ATOM 805 CA VAL A 60 -4.217 4.392 -3.707 1.00 0.33 C ATOM 806 C VAL A 60 -3.179 4.205 -4.805 1.00 0.39 C ATOM 807 O VAL A 60 -3.353 4.694 -5.923 1.00 0.50 O ATOM 808 CB VAL A 60 -5.472 3.554 -4.039 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.127 2.077 -4.147 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.551 3.772 -2.992 1.00 0.39 C ATOM 0 H VAL A 60 -5.012 6.212 -4.364 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.822 4.043 -2.753 1.00 0.33 H new ATOM 0 HB VAL A 60 -5.853 3.885 -5.005 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.027 1.509 -4.381 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.391 1.932 -4.938 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.715 1.729 -3.200 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.427 3.174 -3.242 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -6.175 3.472 -2.014 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.826 4.826 -2.967 1.00 0.39 H new ATOM 820 N TYR A 61 -2.095 3.522 -4.481 1.00 0.35 N ATOM 821 CA TYR A 61 -1.044 3.275 -5.449 1.00 0.41 C ATOM 822 C TYR A 61 -1.146 1.862 -6.005 1.00 0.39 C ATOM 823 O TYR A 61 -1.071 0.879 -5.263 1.00 0.32 O ATOM 824 CB TYR A 61 0.338 3.490 -4.825 1.00 0.46 C ATOM 825 CG TYR A 61 1.478 3.197 -5.781 1.00 0.53 C ATOM 826 CD1 TYR A 61 1.531 3.786 -7.039 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.508 2.341 -5.416 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.581 3.532 -7.902 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.557 2.080 -6.273 1.00 0.65 C ATOM 830 CZ TYR A 61 3.549 2.643 -7.554 1.00 0.72 C ATOM 831 OH TYR A 61 4.640 2.420 -8.366 1.00 0.83 O ATOM 0 H TYR A 61 -1.921 3.129 -3.556 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.171 3.986 -6.266 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.417 4.521 -4.481 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.436 2.852 -3.947 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.739 4.453 -7.347 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.488 1.871 -4.444 1.00 0.56 H new ATOM 0 HE1 TYR A 61 2.632 4.040 -8.854 1.00 0.73 H new ATOM 0 HE2 TYR A 61 4.375 1.448 -5.959 1.00 0.65 H new ATOM 0 HH TYR A 61 5.225 1.752 -7.951 1.00 0.83 H new ATOM 839 N GLU A 62 -1.243 1.773 -7.319 1.00 0.49 N ATOM 840 CA GLU A 62 -1.248 0.497 -8.003 1.00 0.52 C ATOM 841 C GLU A 62 0.171 -0.056 -8.060 1.00 0.50 C ATOM 842 O GLU A 62 1.040 0.507 -8.730 1.00 0.59 O ATOM 843 CB GLU A 62 -1.806 0.677 -9.415 1.00 0.68 C ATOM 844 CG GLU A 62 -1.787 -0.580 -10.266 1.00 1.24 C ATOM 845 CD GLU A 62 -2.150 -0.299 -11.709 1.00 1.83 C ATOM 846 OE1 GLU A 62 -2.447 0.869 -12.036 1.00 2.47 O ATOM 847 OE2 GLU A 62 -2.130 -1.241 -12.526 1.00 2.35 O ATOM 0 H GLU A 62 -1.320 2.580 -7.938 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.879 -0.208 -7.462 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -2.833 1.036 -9.343 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -1.232 1.452 -9.922 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -0.795 -1.030 -10.224 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -2.485 -1.307 -9.852 1.00 1.24 H new ATOM 850 N PHE A 63 0.404 -1.149 -7.353 1.00 0.42 N ATOM 851 CA PHE A 63 1.711 -1.780 -7.349 1.00 0.41 C ATOM 852 C PHE A 63 1.947 -2.488 -8.672 1.00 0.44 C ATOM 853 O PHE A 63 1.187 -3.380 -9.051 1.00 0.42 O ATOM 854 CB PHE A 63 1.823 -2.771 -6.187 1.00 0.41 C ATOM 855 CG PHE A 63 3.146 -3.489 -6.130 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.331 -2.812 -6.365 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.200 -4.841 -5.839 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.543 -3.470 -6.313 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.410 -5.504 -5.787 1.00 0.47 C ATOM 860 CZ PHE A 63 5.582 -4.817 -6.022 1.00 0.53 C ATOM 0 H PHE A 63 -0.295 -1.617 -6.775 1.00 0.42 H new ATOM 0 HA PHE A 63 2.473 -1.011 -7.219 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.669 -2.237 -5.249 1.00 0.41 H new ATOM 0 HB3 PHE A 63 1.023 -3.507 -6.270 1.00 0.41 H new ATOM 0 HD1 PHE A 63 4.306 -1.756 -6.592 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.285 -5.384 -5.650 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.460 -2.930 -6.500 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.438 -6.560 -5.562 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.530 -5.333 -5.978 1.00 0.53 H new ATOM 868 N GLU A 64 3.027 -2.115 -9.344 1.00 0.61 N ATOM 869 CA GLU A 64 3.412 -2.735 -10.606 1.00 0.70 C ATOM 870 C GLU A 64 4.060 -4.098 -10.360 1.00 0.62 C ATOM 871 O GLU A 64 5.146 -4.397 -10.865 1.00 0.89 O ATOM 872 CB GLU A 64 4.359 -1.812 -11.381 1.00 0.97 C ATOM 873 CG GLU A 64 5.566 -1.345 -10.578 1.00 1.61 C ATOM 874 CD GLU A 64 6.462 -0.408 -11.360 1.00 1.90 C ATOM 875 OE1 GLU A 64 6.120 -0.083 -12.517 1.00 2.46 O ATOM 876 OE2 GLU A 64 7.512 0.006 -10.826 1.00 2.08 O ATOM 0 H GLU A 64 3.659 -1.378 -9.032 1.00 0.61 H new ATOM 0 HA GLU A 64 2.516 -2.892 -11.206 1.00 0.70 H new ATOM 0 HB2 GLU A 64 4.708 -2.333 -12.272 1.00 0.97 H new ATOM 0 HB3 GLU A 64 3.802 -0.939 -11.720 1.00 0.97 H new ATOM 0 HG2 GLU A 64 5.223 -0.842 -9.674 1.00 1.61 H new ATOM 0 HG3 GLU A 64 6.144 -2.213 -10.261 1.00 1.61 H new ATOM 879 N GLY A 65 3.392 -4.913 -9.561 1.00 0.62 N ATOM 880 CA GLY A 65 3.910 -6.210 -9.210 1.00 0.64 C ATOM 881 C GLY A 65 2.858 -7.085 -8.565 1.00 0.62 C ATOM 882 O GLY A 65 1.824 -6.596 -8.101 1.00 0.82 O ATOM 0 H GLY A 65 2.487 -4.692 -9.146 1.00 0.62 H new ATOM 0 HA2 GLY A 65 4.292 -6.702 -10.105 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.751 -6.092 -8.527 1.00 0.64 H new ATOM 886 N THR A 66 3.111 -8.379 -8.579 1.00 0.63 N ATOM 887 CA THR A 66 2.205 -9.360 -8.009 1.00 0.67 C ATOM 888 C THR A 66 2.234 -9.312 -6.485 1.00 0.60 C ATOM 889 O THR A 66 3.177 -8.783 -5.888 1.00 0.56 O ATOM 890 CB THR A 66 2.573 -10.780 -8.480 1.00 0.83 C ATOM 891 OG1 THR A 66 3.989 -10.975 -8.365 1.00 1.53 O ATOM 892 CG2 THR A 66 2.140 -11.013 -9.918 1.00 1.42 C ATOM 0 H THR A 66 3.954 -8.782 -8.988 1.00 0.63 H new ATOM 0 HA THR A 66 1.200 -9.115 -8.352 1.00 0.67 H new ATOM 0 HB THR A 66 2.049 -11.495 -7.846 1.00 0.83 H new ATOM 0 HG1 THR A 66 4.425 -10.706 -9.200 1.00 1.53 H new ATOM 0 HG21 THR A 66 2.414 -12.024 -10.221 1.00 1.42 H new ATOM 0 HG22 THR A 66 1.060 -10.890 -9.997 1.00 1.42 H new ATOM 0 HG23 THR A 66 2.636 -10.292 -10.569 1.00 1.42 H new ATOM 900 N SER A 67 1.223 -9.900 -5.859 1.00 0.61 N ATOM 901 CA SER A 67 1.147 -9.960 -4.405 1.00 0.58 C ATOM 902 C SER A 67 2.339 -10.726 -3.830 1.00 0.56 C ATOM 903 O SER A 67 2.805 -10.438 -2.726 1.00 0.54 O ATOM 904 CB SER A 67 -0.168 -10.607 -3.976 1.00 0.67 C ATOM 905 OG SER A 67 -0.401 -11.804 -4.696 1.00 1.25 O ATOM 0 H SER A 67 0.440 -10.344 -6.338 1.00 0.61 H new ATOM 0 HA SER A 67 1.181 -8.944 -4.013 1.00 0.58 H new ATOM 0 HB2 SER A 67 -0.141 -10.820 -2.907 1.00 0.67 H new ATOM 0 HB3 SER A 67 -0.991 -9.912 -4.142 1.00 0.67 H new ATOM 0 HG SER A 67 -1.248 -12.202 -4.404 1.00 1.25 H new ATOM 909 N VAL A 68 2.851 -11.674 -4.610 1.00 0.64 N ATOM 910 CA VAL A 68 4.026 -12.443 -4.220 1.00 0.67 C ATOM 911 C VAL A 68 5.245 -11.531 -4.117 1.00 0.58 C ATOM 912 O VAL A 68 5.962 -11.542 -3.113 1.00 0.59 O ATOM 913 CB VAL A 68 4.332 -13.565 -5.234 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.428 -14.479 -4.709 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.078 -14.359 -5.558 1.00 0.97 C ATOM 0 H VAL A 68 2.467 -11.928 -5.520 1.00 0.64 H new ATOM 0 HA VAL A 68 3.810 -12.893 -3.251 1.00 0.67 H new ATOM 0 HB VAL A 68 4.686 -13.102 -6.155 1.00 0.79 H new ATOM 0 HG11 VAL A 68 5.628 -15.263 -5.439 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.336 -13.899 -4.541 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.107 -14.931 -3.770 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.319 -15.144 -6.275 1.00 0.97 H new ATOM 0 HG22 VAL A 68 2.686 -14.809 -4.646 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.327 -13.695 -5.986 1.00 0.97 H new ATOM 925 N GLU A 69 5.447 -10.713 -5.148 1.00 0.57 N ATOM 926 CA GLU A 69 6.562 -9.776 -5.177 1.00 0.55 C ATOM 927 C GLU A 69 6.443 -8.760 -4.051 1.00 0.48 C ATOM 928 O GLU A 69 7.431 -8.435 -3.397 1.00 0.52 O ATOM 929 CB GLU A 69 6.637 -9.061 -6.527 1.00 0.65 C ATOM 930 CG GLU A 69 6.936 -9.991 -7.690 1.00 1.35 C ATOM 931 CD GLU A 69 8.158 -10.851 -7.449 1.00 1.73 C ATOM 932 OE1 GLU A 69 9.250 -10.292 -7.206 1.00 2.65 O ATOM 933 OE2 GLU A 69 8.035 -12.091 -7.503 1.00 1.82 O ATOM 0 H GLU A 69 4.850 -10.682 -5.975 1.00 0.57 H new ATOM 0 HA GLU A 69 7.481 -10.345 -5.035 1.00 0.55 H new ATOM 0 HB2 GLU A 69 5.691 -8.553 -6.713 1.00 0.65 H new ATOM 0 HB3 GLU A 69 7.408 -8.292 -6.480 1.00 0.65 H new ATOM 0 HG2 GLU A 69 6.074 -10.633 -7.868 1.00 1.35 H new ATOM 0 HG3 GLU A 69 7.085 -9.400 -8.594 1.00 1.35 H new ATOM 936 N LEU A 70 5.228 -8.294 -3.803 1.00 0.44 N ATOM 937 CA LEU A 70 4.985 -7.346 -2.725 1.00 0.41 C ATOM 938 C LEU A 70 5.318 -7.978 -1.375 1.00 0.48 C ATOM 939 O LEU A 70 5.982 -7.365 -0.534 1.00 0.56 O ATOM 940 CB LEU A 70 3.528 -6.881 -2.746 1.00 0.41 C ATOM 941 CG LEU A 70 3.197 -5.739 -1.787 1.00 0.38 C ATOM 942 CD1 LEU A 70 3.988 -4.490 -2.144 1.00 0.41 C ATOM 943 CD2 LEU A 70 1.705 -5.449 -1.805 1.00 0.43 C ATOM 0 H LEU A 70 4.396 -8.556 -4.332 1.00 0.44 H new ATOM 0 HA LEU A 70 5.631 -6.480 -2.873 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.278 -6.567 -3.759 1.00 0.41 H new ATOM 0 HB3 LEU A 70 2.888 -7.731 -2.508 1.00 0.41 H new ATOM 0 HG LEU A 70 3.479 -6.044 -0.779 1.00 0.38 H new ATOM 0 HD11 LEU A 70 3.737 -3.689 -1.448 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.055 -4.704 -2.081 1.00 0.41 H new ATOM 0 HD13 LEU A 70 3.740 -4.180 -3.159 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.485 -4.633 -1.117 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.402 -5.166 -2.813 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.157 -6.340 -1.498 1.00 0.43 H new ATOM 953 N GLY A 71 4.896 -9.225 -1.200 1.00 0.54 N ATOM 954 CA GLY A 71 5.168 -9.942 0.031 1.00 0.68 C ATOM 955 C GLY A 71 6.648 -10.157 0.271 1.00 0.71 C ATOM 956 O GLY A 71 7.160 -9.845 1.346 1.00 0.84 O ATOM 0 H GLY A 71 4.367 -9.754 -1.893 1.00 0.54 H new ATOM 0 HA2 GLY A 71 4.745 -9.388 0.869 1.00 0.68 H new ATOM 0 HA3 GLY A 71 4.665 -10.909 0.002 1.00 0.68 H new ATOM 960 N THR A 72 7.345 -10.663 -0.741 1.00 0.65 N ATOM 961 CA THR A 72 8.775 -10.910 -0.632 1.00 0.75 C ATOM 962 C THR A 72 9.540 -9.597 -0.468 1.00 0.75 C ATOM 963 O THR A 72 10.569 -9.543 0.208 1.00 0.88 O ATOM 964 CB THR A 72 9.313 -11.702 -1.847 1.00 0.80 C ATOM 965 OG1 THR A 72 10.625 -12.208 -1.568 1.00 1.46 O ATOM 966 CG2 THR A 72 9.362 -10.853 -3.108 1.00 1.12 C ATOM 0 H THR A 72 6.941 -10.909 -1.645 1.00 0.65 H new ATOM 0 HA THR A 72 8.934 -11.520 0.257 1.00 0.75 H new ATOM 0 HB THR A 72 8.623 -12.528 -2.021 1.00 0.80 H new ATOM 0 HG1 THR A 72 10.954 -12.709 -2.343 1.00 1.46 H new ATOM 0 HG21 THR A 72 9.746 -11.451 -3.934 1.00 1.12 H new ATOM 0 HG22 THR A 72 8.359 -10.502 -3.350 1.00 1.12 H new ATOM 0 HG23 THR A 72 10.016 -9.997 -2.945 1.00 1.12 H new ATOM 974 N LEU A 73 8.999 -8.531 -1.048 1.00 0.65 N ATOM 975 CA LEU A 73 9.583 -7.200 -0.915 1.00 0.73 C ATOM 976 C LEU A 73 9.541 -6.770 0.549 1.00 0.84 C ATOM 977 O LEU A 73 10.542 -6.320 1.100 1.00 0.97 O ATOM 978 CB LEU A 73 8.822 -6.186 -1.784 1.00 0.71 C ATOM 979 CG LEU A 73 9.653 -5.027 -2.358 1.00 0.91 C ATOM 980 CD1 LEU A 73 10.285 -4.191 -1.255 1.00 1.51 C ATOM 981 CD2 LEU A 73 10.721 -5.558 -3.302 1.00 1.47 C ATOM 0 H LEU A 73 8.153 -8.563 -1.617 1.00 0.65 H new ATOM 0 HA LEU A 73 10.618 -7.233 -1.255 1.00 0.73 H new ATOM 0 HB2 LEU A 73 8.363 -6.723 -2.614 1.00 0.71 H new ATOM 0 HB3 LEU A 73 8.011 -5.765 -1.189 1.00 0.71 H new ATOM 0 HG LEU A 73 8.978 -4.379 -2.917 1.00 0.91 H new ATOM 0 HD11 LEU A 73 10.865 -3.381 -1.699 1.00 1.51 H new ATOM 0 HD12 LEU A 73 9.503 -3.772 -0.622 1.00 1.51 H new ATOM 0 HD13 LEU A 73 10.941 -4.819 -0.653 1.00 1.51 H new ATOM 0 HD21 LEU A 73 11.301 -4.726 -3.700 1.00 1.47 H new ATOM 0 HD22 LEU A 73 11.382 -6.234 -2.760 1.00 1.47 H new ATOM 0 HD23 LEU A 73 10.246 -6.095 -4.123 1.00 1.47 H new ATOM 991 N LEU A 74 8.387 -6.960 1.181 1.00 0.84 N ATOM 992 CA LEU A 74 8.226 -6.629 2.592 1.00 1.03 C ATOM 993 C LEU A 74 9.089 -7.538 3.463 1.00 1.24 C ATOM 994 O LEU A 74 9.834 -7.064 4.324 1.00 1.47 O ATOM 995 CB LEU A 74 6.753 -6.735 3.000 1.00 1.01 C ATOM 996 CG LEU A 74 5.810 -5.783 2.261 1.00 0.93 C ATOM 997 CD1 LEU A 74 4.373 -5.994 2.709 1.00 1.79 C ATOM 998 CD2 LEU A 74 6.229 -4.340 2.483 1.00 1.14 C ATOM 0 H LEU A 74 7.551 -7.341 0.739 1.00 0.84 H new ATOM 0 HA LEU A 74 8.555 -5.601 2.743 1.00 1.03 H new ATOM 0 HB2 LEU A 74 6.417 -7.758 2.832 1.00 1.01 H new ATOM 0 HB3 LEU A 74 6.673 -6.544 4.070 1.00 1.01 H new ATOM 0 HG LEU A 74 5.872 -6.001 1.195 1.00 0.93 H new ATOM 0 HD11 LEU A 74 3.720 -5.307 2.171 1.00 1.79 H new ATOM 0 HD12 LEU A 74 4.073 -7.020 2.498 1.00 1.79 H new ATOM 0 HD13 LEU A 74 4.294 -5.806 3.780 1.00 1.79 H new ATOM 0 HD21 LEU A 74 5.547 -3.677 1.950 1.00 1.14 H new ATOM 0 HD22 LEU A 74 6.198 -4.112 3.548 1.00 1.14 H new ATOM 0 HD23 LEU A 74 7.243 -4.194 2.110 1.00 1.14 H new ATOM 1008 N GLY A 75 9.033 -8.838 3.196 1.00 1.24 N ATOM 1009 CA GLY A 75 9.880 -9.773 3.909 1.00 1.50 C ATOM 1010 C GLY A 75 9.283 -11.163 4.000 1.00 1.63 C ATOM 1011 O GLY A 75 9.959 -12.158 3.730 1.00 2.22 O ATOM 0 H GLY A 75 8.418 -9.259 2.500 1.00 1.24 H new ATOM 0 HA2 GLY A 75 10.848 -9.831 3.410 1.00 1.50 H new ATOM 0 HA3 GLY A 75 10.062 -9.395 4.915 1.00 1.50 H new ATOM 1015 N ARG A 76 8.041 -11.240 4.460 1.00 1.47 N ATOM 1016 CA ARG A 76 7.378 -12.522 4.675 1.00 1.63 C ATOM 1017 C ARG A 76 7.061 -13.226 3.354 1.00 1.48 C ATOM 1018 O ARG A 76 6.625 -12.601 2.391 1.00 1.41 O ATOM 1019 CB ARG A 76 6.107 -12.334 5.508 1.00 1.84 C ATOM 1020 CG ARG A 76 5.129 -11.321 4.934 1.00 1.98 C ATOM 1021 CD ARG A 76 4.055 -10.932 5.945 1.00 2.35 C ATOM 1022 NE ARG A 76 4.616 -10.248 7.119 1.00 3.01 N ATOM 1023 CZ ARG A 76 4.990 -10.862 8.247 1.00 3.50 C ATOM 1024 NH1 ARG A 76 4.741 -12.154 8.424 1.00 3.60 N ATOM 1025 NH2 ARG A 76 5.592 -10.173 9.210 1.00 4.36 N ATOM 0 H ARG A 76 7.470 -10.428 4.692 1.00 1.47 H new ATOM 0 HA ARG A 76 8.067 -13.162 5.227 1.00 1.63 H new ATOM 0 HB2 ARG A 76 5.603 -13.296 5.603 1.00 1.84 H new ATOM 0 HB3 ARG A 76 6.388 -12.021 6.514 1.00 1.84 H new ATOM 0 HG2 ARG A 76 5.672 -10.430 4.620 1.00 1.98 H new ATOM 0 HG3 ARG A 76 4.656 -11.736 4.044 1.00 1.98 H new ATOM 0 HD2 ARG A 76 3.324 -10.282 5.464 1.00 2.35 H new ATOM 0 HD3 ARG A 76 3.522 -11.826 6.268 1.00 2.35 H new ATOM 0 HE ARG A 76 4.728 -9.235 7.070 1.00 3.01 H new ATOM 0 HH11 ARG A 76 4.262 -12.685 7.697 1.00 3.60 H new ATOM 0 HH12 ARG A 76 5.029 -12.615 9.287 1.00 3.60 H new ATOM 0 HH21 ARG A 76 5.769 -9.176 9.089 1.00 4.36 H new ATOM 0 HH22 ARG A 76 5.877 -10.641 10.070 1.00 4.36 H new ATOM 1033 N PRO A 77 7.301 -14.548 3.297 1.00 1.57 N ATOM 1034 CA PRO A 77 7.079 -15.362 2.093 1.00 1.60 C ATOM 1035 C PRO A 77 5.602 -15.668 1.860 1.00 1.55 C ATOM 1036 O PRO A 77 5.216 -16.811 1.616 1.00 1.73 O ATOM 1037 CB PRO A 77 7.848 -16.648 2.395 1.00 1.89 C ATOM 1038 CG PRO A 77 7.826 -16.757 3.879 1.00 1.91 C ATOM 1039 CD PRO A 77 7.840 -15.349 4.407 1.00 1.81 C ATOM 0 HA PRO A 77 7.408 -14.851 1.188 1.00 1.60 H new ATOM 0 HB2 PRO A 77 7.376 -17.512 1.927 1.00 1.89 H new ATOM 0 HB3 PRO A 77 8.869 -16.598 2.016 1.00 1.89 H new ATOM 0 HG2 PRO A 77 6.937 -17.290 4.216 1.00 1.91 H new ATOM 0 HG3 PRO A 77 8.689 -17.316 4.240 1.00 1.91 H new ATOM 0 HD2 PRO A 77 7.227 -15.253 5.303 1.00 1.81 H new ATOM 0 HD3 PRO A 77 8.848 -15.033 4.675 1.00 1.81 H new ATOM 1041 N HIS A 78 4.784 -14.638 1.945 1.00 1.55 N ATOM 1042 CA HIS A 78 3.348 -14.775 1.734 1.00 1.56 C ATOM 1043 C HIS A 78 2.832 -13.632 0.879 1.00 1.37 C ATOM 1044 O HIS A 78 3.322 -12.510 0.975 1.00 1.90 O ATOM 1045 CB HIS A 78 2.597 -14.800 3.067 1.00 1.86 C ATOM 1046 CG HIS A 78 2.772 -16.069 3.837 1.00 1.97 C ATOM 1047 ND1 HIS A 78 2.191 -17.266 3.471 1.00 2.84 N ATOM 1048 CD2 HIS A 78 3.485 -16.327 4.953 1.00 1.78 C ATOM 1049 CE1 HIS A 78 2.542 -18.201 4.334 1.00 3.13 C ATOM 1050 NE2 HIS A 78 3.328 -17.656 5.242 1.00 2.47 N ATOM 0 H HIS A 78 5.088 -13.688 2.160 1.00 1.55 H new ATOM 0 HA HIS A 78 3.173 -15.720 1.219 1.00 1.56 H new ATOM 0 HB2 HIS A 78 2.937 -13.965 3.680 1.00 1.86 H new ATOM 0 HB3 HIS A 78 1.535 -14.645 2.877 1.00 1.86 H new ATOM 0 HD2 HIS A 78 4.072 -15.616 5.515 1.00 1.78 H new ATOM 0 HE1 HIS A 78 2.237 -19.237 4.302 1.00 3.13 H new ATOM 0 HE2 HIS A 78 3.750 -18.145 6.031 1.00 2.47 H new ATOM 1057 N THR A 79 1.883 -13.939 0.007 1.00 1.02 N ATOM 1058 CA THR A 79 1.329 -12.950 -0.900 1.00 0.90 C ATOM 1059 C THR A 79 0.617 -11.843 -0.127 1.00 0.80 C ATOM 1060 O THR A 79 -0.336 -12.105 0.612 1.00 1.06 O ATOM 1061 CB THR A 79 0.337 -13.598 -1.888 1.00 1.08 C ATOM 1062 OG1 THR A 79 -0.750 -14.209 -1.177 1.00 1.25 O ATOM 1063 CG2 THR A 79 1.030 -14.645 -2.743 1.00 1.21 C ATOM 0 H THR A 79 1.480 -14.871 -0.090 1.00 1.02 H new ATOM 0 HA THR A 79 2.160 -12.521 -1.460 1.00 0.90 H new ATOM 0 HB THR A 79 -0.050 -12.812 -2.536 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.940 -13.694 -0.365 1.00 1.25 H new ATOM 0 HG21 THR A 79 0.310 -15.087 -3.431 1.00 1.21 H new ATOM 0 HG22 THR A 79 1.834 -14.177 -3.311 1.00 1.21 H new ATOM 0 HG23 THR A 79 1.444 -15.423 -2.101 1.00 1.21 H new ATOM 1071 N VAL A 80 1.065 -10.612 -0.312 1.00 0.65 N ATOM 1072 CA VAL A 80 0.429 -9.475 0.329 1.00 0.55 C ATOM 1073 C VAL A 80 -0.455 -8.750 -0.673 1.00 0.48 C ATOM 1074 O VAL A 80 0.004 -8.356 -1.745 1.00 0.56 O ATOM 1075 CB VAL A 80 1.468 -8.496 0.921 1.00 0.62 C ATOM 1076 CG1 VAL A 80 0.788 -7.286 1.546 1.00 1.16 C ATOM 1077 CG2 VAL A 80 2.342 -9.200 1.949 1.00 1.24 C ATOM 0 H VAL A 80 1.865 -10.376 -0.899 1.00 0.65 H new ATOM 0 HA VAL A 80 -0.178 -9.851 1.153 1.00 0.55 H new ATOM 0 HB VAL A 80 2.100 -8.146 0.105 1.00 0.62 H new ATOM 0 HG11 VAL A 80 1.543 -6.615 1.954 1.00 1.16 H new ATOM 0 HG12 VAL A 80 0.209 -6.761 0.786 1.00 1.16 H new ATOM 0 HG13 VAL A 80 0.124 -7.614 2.346 1.00 1.16 H new ATOM 0 HG21 VAL A 80 3.067 -8.494 2.354 1.00 1.24 H new ATOM 0 HG22 VAL A 80 1.718 -9.583 2.756 1.00 1.24 H new ATOM 0 HG23 VAL A 80 2.868 -10.028 1.474 1.00 1.24 H new ATOM 1087 N SER A 81 -1.740 -8.684 -0.370 1.00 0.42 N ATOM 1088 CA SER A 81 -2.713 -8.092 -1.274 1.00 0.47 C ATOM 1089 C SER A 81 -2.562 -6.576 -1.312 1.00 0.38 C ATOM 1090 O SER A 81 -2.682 -5.953 -2.369 1.00 0.39 O ATOM 1091 CB SER A 81 -4.124 -8.465 -0.823 1.00 0.55 C ATOM 1092 OG SER A 81 -4.215 -9.849 -0.529 1.00 1.18 O ATOM 0 H SER A 81 -2.137 -9.036 0.501 1.00 0.42 H new ATOM 0 HA SER A 81 -2.538 -8.479 -2.278 1.00 0.47 H new ATOM 0 HB2 SER A 81 -4.393 -7.884 0.059 1.00 0.55 H new ATOM 0 HB3 SER A 81 -4.839 -8.208 -1.604 1.00 0.55 H new ATOM 0 HG SER A 81 -5.127 -10.063 -0.241 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.319 -5.989 -0.147 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.203 -4.547 -0.028 1.00 0.30 C ATOM 1098 C ALA A 82 -1.541 -4.170 1.286 1.00 0.30 C ATOM 1099 O ALA A 82 -1.602 -4.924 2.258 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.578 -3.903 -0.121 1.00 0.33 C ATOM 0 H ALA A 82 -2.198 -6.495 0.731 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.582 -4.182 -0.846 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.480 -2.821 -0.031 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.030 -4.147 -1.082 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.211 -4.278 0.683 1.00 0.33 H new ATOM 1106 N LEU A 83 -0.955 -2.986 1.328 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.329 -2.482 2.541 1.00 0.31 C ATOM 1108 C LEU A 83 -0.633 -0.998 2.710 1.00 0.28 C ATOM 1109 O LEU A 83 -0.668 -0.243 1.734 1.00 0.30 O ATOM 1110 CB LEU A 83 1.193 -2.714 2.536 1.00 0.37 C ATOM 1111 CG LEU A 83 2.006 -1.852 1.563 1.00 0.44 C ATOM 1112 CD1 LEU A 83 3.477 -1.875 1.944 1.00 0.88 C ATOM 1113 CD2 LEU A 83 1.835 -2.335 0.131 1.00 0.83 C ATOM 0 H LEU A 83 -0.899 -2.351 0.532 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.745 -3.035 3.383 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.569 -2.540 3.544 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.379 -3.762 2.303 1.00 0.37 H new ATOM 0 HG LEU A 83 1.634 -0.829 1.627 1.00 0.44 H new ATOM 0 HD11 LEU A 83 4.043 -1.259 1.245 1.00 0.88 H new ATOM 0 HD12 LEU A 83 3.597 -1.483 2.954 1.00 0.88 H new ATOM 0 HD13 LEU A 83 3.847 -2.900 1.906 1.00 0.88 H new ATOM 0 HD21 LEU A 83 2.422 -1.706 -0.538 1.00 0.83 H new ATOM 0 HD22 LEU A 83 2.177 -3.367 0.052 1.00 0.83 H new ATOM 0 HD23 LEU A 83 0.783 -2.279 -0.149 1.00 0.83 H new ATOM 1123 N ALA A 84 -0.906 -0.603 3.940 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.235 0.776 4.244 1.00 0.29 C ATOM 1125 C ALA A 84 -0.006 1.540 4.715 1.00 0.30 C ATOM 1126 O ALA A 84 0.529 1.276 5.796 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.330 0.833 5.299 1.00 0.35 C ATOM 0 H ALA A 84 -0.906 -1.223 4.750 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.597 1.250 3.331 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.569 1.873 5.520 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.221 0.327 4.927 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -1.986 0.339 6.208 1.00 0.35 H new ATOM 1133 N VAL A 85 0.382 2.537 3.941 1.00 0.35 N ATOM 1134 CA VAL A 85 1.457 3.432 4.321 1.00 0.42 C ATOM 1135 C VAL A 85 0.891 4.562 5.169 1.00 0.41 C ATOM 1136 O VAL A 85 0.265 5.487 4.649 1.00 0.46 O ATOM 1137 CB VAL A 85 2.167 4.029 3.085 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.343 4.902 3.501 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.621 2.927 2.139 1.00 1.05 C ATOM 0 H VAL A 85 -0.038 2.748 3.036 1.00 0.35 H new ATOM 0 HA VAL A 85 2.191 2.858 4.887 1.00 0.42 H new ATOM 0 HB VAL A 85 1.451 4.658 2.556 1.00 0.53 H new ATOM 0 HG11 VAL A 85 3.825 5.310 2.613 1.00 0.69 H new ATOM 0 HG12 VAL A 85 2.986 5.719 4.128 1.00 0.69 H new ATOM 0 HG13 VAL A 85 4.061 4.303 4.061 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.118 3.370 1.276 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.315 2.265 2.657 1.00 1.05 H new ATOM 0 HG23 VAL A 85 1.755 2.355 1.805 1.00 1.05 H new ATOM 1149 N VAL A 86 1.044 4.445 6.476 1.00 0.44 N ATOM 1150 CA VAL A 86 0.518 5.445 7.392 1.00 0.46 C ATOM 1151 C VAL A 86 1.385 6.692 7.353 1.00 0.47 C ATOM 1152 O VAL A 86 0.886 7.814 7.278 1.00 0.54 O ATOM 1153 CB VAL A 86 0.446 4.910 8.837 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.175 5.942 9.766 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.334 3.605 8.885 1.00 0.53 C ATOM 0 H VAL A 86 1.527 3.669 6.928 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.494 5.689 7.070 1.00 0.46 H new ATOM 0 HB VAL A 86 1.462 4.715 9.179 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.215 5.542 10.779 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.429 6.849 9.758 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.185 6.175 9.428 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.374 3.243 9.912 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.347 3.773 8.520 1.00 0.53 H new ATOM 0 HG23 VAL A 86 0.160 2.863 8.258 1.00 0.53 H new ATOM 1165 N ASP A 87 2.690 6.477 7.325 1.00 0.49 N ATOM 1166 CA ASP A 87 3.643 7.570 7.245 1.00 0.60 C ATOM 1167 C ASP A 87 4.887 7.128 6.490 1.00 0.47 C ATOM 1168 O ASP A 87 5.542 6.162 6.879 1.00 0.62 O ATOM 1169 CB ASP A 87 4.030 8.041 8.649 1.00 0.83 C ATOM 1170 CG ASP A 87 5.070 9.143 8.628 1.00 1.50 C ATOM 1171 OD1 ASP A 87 4.785 10.226 8.073 1.00 1.94 O ATOM 1172 OD2 ASP A 87 6.171 8.934 9.177 1.00 2.15 O ATOM 0 H ASP A 87 3.115 5.550 7.357 1.00 0.49 H new ATOM 0 HA ASP A 87 3.177 8.397 6.710 1.00 0.60 H new ATOM 0 HB2 ASP A 87 3.139 8.397 9.167 1.00 0.83 H new ATOM 0 HB3 ASP A 87 4.414 7.195 9.219 1.00 0.83 H new ATOM 1175 N PRO A 88 5.190 7.788 5.366 1.00 0.45 N ATOM 1176 CA PRO A 88 6.350 7.445 4.540 1.00 0.54 C ATOM 1177 C PRO A 88 7.667 7.813 5.216 1.00 0.93 C ATOM 1178 O PRO A 88 8.660 7.090 5.108 1.00 1.68 O ATOM 1179 CB PRO A 88 6.146 8.274 3.270 1.00 0.69 C ATOM 1180 CG PRO A 88 5.288 9.419 3.690 1.00 0.99 C ATOM 1181 CD PRO A 88 4.410 8.901 4.797 1.00 0.66 C ATOM 0 HA PRO A 88 6.415 6.373 4.353 1.00 0.54 H new ATOM 0 HB2 PRO A 88 7.098 8.621 2.868 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.665 7.686 2.488 1.00 0.69 H new ATOM 0 HG2 PRO A 88 5.896 10.255 4.034 1.00 0.99 H new ATOM 0 HG3 PRO A 88 4.689 9.783 2.856 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.208 9.671 5.542 1.00 0.66 H new ATOM 0 HD3 PRO A 88 3.446 8.562 4.419 1.00 0.66 H new ATOM 1183 N GLY A 89 7.670 8.949 5.906 1.00 0.73 N ATOM 1184 CA GLY A 89 8.869 9.411 6.569 1.00 1.09 C ATOM 1185 C GLY A 89 9.940 9.826 5.584 1.00 0.99 C ATOM 1186 O GLY A 89 9.767 10.787 4.832 1.00 1.49 O ATOM 0 H GLY A 89 6.859 9.558 6.016 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.624 10.255 7.214 1.00 1.09 H new ATOM 0 HA3 GLY A 89 9.255 8.620 7.212 1.00 1.09 H new ATOM 1190 N GLU A 90 11.041 9.090 5.588 1.00 0.73 N ATOM 1191 CA GLU A 90 12.160 9.355 4.692 1.00 0.70 C ATOM 1192 C GLU A 90 11.786 9.026 3.246 1.00 0.68 C ATOM 1193 O GLU A 90 12.300 9.629 2.305 1.00 1.07 O ATOM 1194 CB GLU A 90 13.368 8.518 5.127 1.00 0.95 C ATOM 1195 CG GLU A 90 14.676 8.899 4.454 1.00 1.45 C ATOM 1196 CD GLU A 90 15.161 10.278 4.849 1.00 2.32 C ATOM 1197 OE1 GLU A 90 14.614 11.281 4.341 1.00 3.03 O ATOM 1198 OE2 GLU A 90 16.080 10.365 5.689 1.00 2.82 O ATOM 0 H GLU A 90 11.185 8.294 6.210 1.00 0.73 H new ATOM 0 HA GLU A 90 12.412 10.414 4.745 1.00 0.70 H new ATOM 0 HB2 GLU A 90 13.489 8.612 6.206 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.160 7.468 4.920 1.00 0.95 H new ATOM 0 HG2 GLU A 90 15.439 8.164 4.711 1.00 1.45 H new ATOM 0 HG3 GLU A 90 14.547 8.861 3.372 1.00 1.45 H new ATOM 1201 N SER A 91 10.948 8.014 3.080 1.00 0.54 N ATOM 1202 CA SER A 91 10.566 7.531 1.761 1.00 0.53 C ATOM 1203 C SER A 91 9.683 8.534 1.020 1.00 0.49 C ATOM 1204 O SER A 91 8.749 9.098 1.593 1.00 0.57 O ATOM 1205 CB SER A 91 9.832 6.206 1.915 1.00 0.65 C ATOM 1206 OG SER A 91 10.536 5.358 2.801 1.00 1.65 O ATOM 0 H SER A 91 10.515 7.506 3.852 1.00 0.54 H new ATOM 0 HA SER A 91 11.471 7.397 1.168 1.00 0.53 H new ATOM 0 HB2 SER A 91 8.824 6.382 2.292 1.00 0.65 H new ATOM 0 HB3 SER A 91 9.729 5.724 0.943 1.00 0.65 H new ATOM 0 HG SER A 91 10.732 4.508 2.354 1.00 1.65 H new ATOM 1210 N ARG A 92 9.943 8.700 -0.272 1.00 0.50 N ATOM 1211 CA ARG A 92 9.145 9.583 -1.112 1.00 0.55 C ATOM 1212 C ARG A 92 8.145 8.766 -1.929 1.00 0.53 C ATOM 1213 O ARG A 92 8.056 8.891 -3.154 1.00 0.68 O ATOM 1214 CB ARG A 92 10.064 10.400 -2.022 1.00 0.72 C ATOM 1215 CG ARG A 92 9.388 11.576 -2.710 1.00 1.39 C ATOM 1216 CD ARG A 92 10.422 12.488 -3.344 1.00 2.08 C ATOM 1217 NE ARG A 92 11.351 13.010 -2.344 1.00 2.69 N ATOM 1218 CZ ARG A 92 12.506 13.607 -2.627 1.00 3.57 C ATOM 1219 NH1 ARG A 92 12.895 13.766 -3.888 1.00 4.00 N ATOM 1220 NH2 ARG A 92 13.267 14.045 -1.634 1.00 4.45 N ATOM 0 H ARG A 92 10.705 8.231 -0.762 1.00 0.50 H new ATOM 0 HA ARG A 92 8.583 10.273 -0.483 1.00 0.55 H new ATOM 0 HB2 ARG A 92 10.901 10.773 -1.431 1.00 0.72 H new ATOM 0 HB3 ARG A 92 10.480 9.740 -2.783 1.00 0.72 H new ATOM 0 HG2 ARG A 92 8.700 11.212 -3.473 1.00 1.39 H new ATOM 0 HG3 ARG A 92 8.795 12.136 -1.987 1.00 1.39 H new ATOM 0 HD2 ARG A 92 10.975 11.940 -4.107 1.00 2.08 H new ATOM 0 HD3 ARG A 92 9.921 13.316 -3.846 1.00 2.08 H new ATOM 0 HE ARG A 92 11.097 12.910 -1.361 1.00 2.69 H new ATOM 0 HH11 ARG A 92 12.306 13.429 -4.650 1.00 4.00 H new ATOM 0 HH12 ARG A 92 13.782 14.225 -4.094 1.00 4.00 H new ATOM 0 HH21 ARG A 92 12.965 13.923 -0.668 1.00 4.45 H new ATOM 0 HH22 ARG A 92 14.155 14.504 -1.836 1.00 4.45 H new ATOM 1228 N ILE A 93 7.425 7.893 -1.238 1.00 0.46 N ATOM 1229 CA ILE A 93 6.465 7.005 -1.877 1.00 0.57 C ATOM 1230 C ILE A 93 5.221 7.772 -2.330 1.00 0.61 C ATOM 1231 O ILE A 93 4.549 7.375 -3.282 1.00 0.70 O ATOM 1232 CB ILE A 93 6.070 5.840 -0.936 1.00 0.65 C ATOM 1233 CG1 ILE A 93 5.219 4.805 -1.679 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.332 6.352 0.292 1.00 0.61 C ATOM 1235 CD1 ILE A 93 5.948 4.124 -2.816 1.00 0.97 C ATOM 0 H ILE A 93 7.489 7.781 -0.226 1.00 0.46 H new ATOM 0 HA ILE A 93 6.945 6.583 -2.760 1.00 0.57 H new ATOM 0 HB ILE A 93 6.988 5.357 -0.602 1.00 0.65 H new ATOM 0 HG12 ILE A 93 4.881 4.049 -0.970 1.00 0.89 H new ATOM 0 HG13 ILE A 93 4.328 5.294 -2.072 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.067 5.512 0.934 1.00 0.61 H new ATOM 0 HG22 ILE A 93 5.974 7.041 0.841 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.425 6.871 -0.019 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.284 3.405 -3.295 1.00 0.97 H new ATOM 0 HD12 ILE A 93 6.262 4.870 -3.546 1.00 0.97 H new ATOM 0 HD13 ILE A 93 6.824 3.605 -2.427 1.00 0.97 H new ATOM 1245 N LEU A 94 4.949 8.903 -1.681 1.00 0.60 N ATOM 1246 CA LEU A 94 3.798 9.737 -2.028 1.00 0.70 C ATOM 1247 C LEU A 94 3.931 10.306 -3.437 1.00 0.70 C ATOM 1248 O LEU A 94 2.938 10.672 -4.065 1.00 0.78 O ATOM 1249 CB LEU A 94 3.630 10.862 -1.010 1.00 0.85 C ATOM 1250 CG LEU A 94 3.305 10.395 0.410 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.141 11.585 1.338 1.00 1.63 C ATOM 1252 CD2 LEU A 94 2.047 9.539 0.416 1.00 1.15 C ATOM 0 H LEU A 94 5.511 9.264 -0.910 1.00 0.60 H new ATOM 0 HA LEU A 94 2.908 9.108 -2.005 1.00 0.70 H new ATOM 0 HB2 LEU A 94 4.547 11.450 -0.984 1.00 0.85 H new ATOM 0 HB3 LEU A 94 2.836 11.526 -1.350 1.00 0.85 H new ATOM 0 HG LEU A 94 4.136 9.789 0.770 1.00 0.81 H new ATOM 0 HD11 LEU A 94 2.910 11.233 2.344 1.00 1.63 H new ATOM 0 HD12 LEU A 94 4.066 12.161 1.358 1.00 1.63 H new ATOM 0 HD13 LEU A 94 2.329 12.217 0.979 1.00 1.63 H new ATOM 0 HD21 LEU A 94 1.832 9.216 1.435 1.00 1.15 H new ATOM 0 HD22 LEU A 94 1.208 10.122 0.035 1.00 1.15 H new ATOM 0 HD23 LEU A 94 2.199 8.665 -0.217 1.00 1.15 H new ATOM 1262 N ALA A 95 5.153 10.307 -3.958 1.00 0.66 N ATOM 1263 CA ALA A 95 5.398 10.734 -5.329 1.00 0.75 C ATOM 1264 C ALA A 95 4.743 9.772 -6.317 1.00 0.69 C ATOM 1265 O ALA A 95 4.344 10.162 -7.412 1.00 0.78 O ATOM 1266 CB ALA A 95 6.892 10.833 -5.595 1.00 0.86 C ATOM 0 H ALA A 95 5.989 10.017 -3.451 1.00 0.66 H new ATOM 0 HA ALA A 95 4.955 11.721 -5.466 1.00 0.75 H new ATOM 0 HB1 ALA A 95 7.058 11.153 -6.624 1.00 0.86 H new ATOM 0 HB2 ALA A 95 7.336 11.558 -4.913 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.355 9.858 -5.439 1.00 0.86 H new ATOM 1272 N LEU A 96 4.639 8.509 -5.918 1.00 0.65 N ATOM 1273 CA LEU A 96 4.026 7.479 -6.751 1.00 0.75 C ATOM 1274 C LEU A 96 2.508 7.576 -6.706 1.00 0.80 C ATOM 1275 O LEU A 96 1.824 7.207 -7.662 1.00 0.98 O ATOM 1276 CB LEU A 96 4.460 6.079 -6.306 1.00 1.12 C ATOM 1277 CG LEU A 96 5.899 5.684 -6.650 1.00 0.80 C ATOM 1278 CD1 LEU A 96 6.185 5.942 -8.121 1.00 1.50 C ATOM 1279 CD2 LEU A 96 6.890 6.422 -5.765 1.00 1.57 C ATOM 0 H LEU A 96 4.974 8.171 -5.016 1.00 0.65 H new ATOM 0 HA LEU A 96 4.364 7.645 -7.774 1.00 0.75 H new ATOM 0 HB2 LEU A 96 4.332 6.006 -5.226 1.00 1.12 H new ATOM 0 HB3 LEU A 96 3.786 5.350 -6.757 1.00 1.12 H new ATOM 0 HG LEU A 96 6.015 4.617 -6.462 1.00 0.80 H new ATOM 0 HD11 LEU A 96 7.212 5.656 -8.348 1.00 1.50 H new ATOM 0 HD12 LEU A 96 5.501 5.354 -8.733 1.00 1.50 H new ATOM 0 HD13 LEU A 96 6.047 7.001 -8.338 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.905 6.125 -6.029 1.00 1.57 H new ATOM 0 HD22 LEU A 96 6.778 7.496 -5.910 1.00 1.57 H new ATOM 0 HD23 LEU A 96 6.699 6.175 -4.721 1.00 1.57 H new ATOM 1289 N GLY A 97 1.988 8.052 -5.585 1.00 0.85 N ATOM 1290 CA GLY A 97 0.558 8.180 -5.425 1.00 1.14 C ATOM 1291 C GLY A 97 0.196 9.179 -4.351 1.00 1.15 C ATOM 1292 O GLY A 97 0.606 9.040 -3.200 1.00 1.79 O ATOM 0 H GLY A 97 2.536 8.353 -4.779 1.00 0.85 H new ATOM 0 HA2 GLY A 97 0.113 8.488 -6.371 1.00 1.14 H new ATOM 0 HA3 GLY A 97 0.133 7.208 -5.174 1.00 1.14 H new ATOM 1296 N GLY A 98 -0.560 10.190 -4.737 1.00 1.39 N ATOM 1297 CA GLY A 98 -0.974 11.220 -3.811 1.00 2.09 C ATOM 1298 C GLY A 98 -1.665 12.352 -4.531 1.00 2.41 C ATOM 1299 O GLY A 98 -1.065 13.006 -5.387 1.00 2.85 O ATOM 0 H GLY A 98 -0.900 10.317 -5.690 1.00 1.39 H new ATOM 0 HA2 GLY A 98 -1.646 10.795 -3.066 1.00 2.09 H new ATOM 0 HA3 GLY A 98 -0.105 11.602 -3.275 1.00 2.09 H new ATOM 1303 N LYS A 99 -2.946 12.531 -4.248 1.00 2.77 N ATOM 1304 CA LYS A 99 -3.741 13.545 -4.919 1.00 3.51 C ATOM 1305 C LYS A 99 -3.390 14.935 -4.398 1.00 3.72 C ATOM 1306 O LYS A 99 -3.368 15.173 -3.190 1.00 4.18 O ATOM 1307 CB LYS A 99 -5.232 13.257 -4.726 1.00 4.19 C ATOM 1308 CG LYS A 99 -6.143 14.217 -5.471 1.00 4.80 C ATOM 1309 CD LYS A 99 -7.596 13.782 -5.394 1.00 5.32 C ATOM 1310 CE LYS A 99 -8.513 14.780 -6.077 1.00 6.06 C ATOM 1311 NZ LYS A 99 -8.451 16.116 -5.434 1.00 6.70 N ATOM 0 H LYS A 99 -3.458 11.984 -3.555 1.00 2.77 H new ATOM 0 HA LYS A 99 -3.515 13.516 -5.985 1.00 3.51 H new ATOM 0 HB2 LYS A 99 -5.442 12.240 -5.058 1.00 4.19 H new ATOM 0 HB3 LYS A 99 -5.466 13.300 -3.662 1.00 4.19 H new ATOM 0 HG2 LYS A 99 -6.039 15.218 -5.051 1.00 4.80 H new ATOM 0 HG3 LYS A 99 -5.835 14.276 -6.515 1.00 4.80 H new ATOM 0 HD2 LYS A 99 -7.709 12.804 -5.861 1.00 5.32 H new ATOM 0 HD3 LYS A 99 -7.889 13.672 -4.350 1.00 5.32 H new ATOM 0 HE2 LYS A 99 -8.235 14.869 -7.127 1.00 6.06 H new ATOM 0 HE3 LYS A 99 -9.538 14.410 -6.049 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 -9.267 16.686 -5.738 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 -8.472 16.005 -4.400 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 -7.571 16.595 -5.713 1.00 6.70 H new ATOM 1317 N GLU A 100 -3.096 15.840 -5.322 1.00 3.94 N ATOM 1318 CA GLU A 100 -2.723 17.203 -4.978 1.00 4.63 C ATOM 1319 C GLU A 100 -3.465 18.188 -5.864 1.00 5.04 C ATOM 1320 O GLU A 100 -3.598 19.364 -5.471 1.00 5.51 O ATOM 1321 CB GLU A 100 -1.213 17.406 -5.131 1.00 5.26 C ATOM 1322 CG GLU A 100 -0.376 16.628 -4.126 1.00 5.92 C ATOM 1323 CD GLU A 100 -0.522 17.139 -2.704 1.00 6.62 C ATOM 1324 OE1 GLU A 100 -1.233 18.148 -2.503 1.00 6.97 O ATOM 1325 OE2 GLU A 100 0.055 16.532 -1.775 1.00 7.01 O ATOM 1326 OXT GLU A 100 -3.921 17.779 -6.954 1.00 5.28 O ATOM 0 H GLU A 100 -3.109 15.651 -6.324 1.00 3.94 H new ATOM 0 HA GLU A 100 -2.996 17.379 -3.937 1.00 4.63 H new ATOM 0 HB2 GLU A 100 -0.918 17.112 -6.138 1.00 5.26 H new ATOM 0 HB3 GLU A 100 -0.988 18.468 -5.030 1.00 5.26 H new ATOM 0 HG2 GLU A 100 -0.664 15.577 -4.159 1.00 5.92 H new ATOM 0 HG3 GLU A 100 0.673 16.680 -4.418 1.00 5.92 H new TER 1329 GLU A 100