USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 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 Set 1.1: A 66 THR OG1 : rot 180:sc= -0.448 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 1.5 (180deg=1.33) USER MOD Single : A -1 SER OG : rot 180:sc=-0.000126 USER MOD Single : A -2 GLY N :NH3+ 165:sc= 1.24 (180deg=1.1) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 13 THR OG1 : rot -43:sc= 0.893 USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -0.127 (180deg=-0.79) USER MOD Single : A 18 MET CE :methyl -164:sc= -0.0145 (180deg=-0.285) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00472) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0913 F(o=-2.2!,f=-0.091) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 160:sc= -0.127 (180deg=-0.715) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc=-0.00145 (180deg=-0.113) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= -0.0791 (180deg=-4.05!) 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 151:sc= 1.2 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.526 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 79 THR OG1 : rot 22:sc= 0.701 USER MOD Single : A 81 SER OG : rot 170:sc= -0.146 USER MOD Single : A 91 SER OG : rot 143:sc= 1.17 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= -0.022 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 18.572 4.825 -7.158 1.00 7.54 N ATOM 2 CA GLY A -2 18.395 6.299 -7.212 1.00 6.84 C ATOM 3 C GLY A -2 17.512 6.741 -8.363 1.00 5.98 C ATOM 4 O GLY A -2 17.846 7.677 -9.088 1.00 5.92 O ATOM 0 H1 GLY A -2 19.368 4.594 -6.530 1.00 7.54 H new ATOM 0 H2 GLY A -2 17.704 4.384 -6.793 1.00 7.54 H new ATOM 0 H3 GLY A -2 18.768 4.464 -8.113 1.00 7.54 H new ATOM 0 HA2 GLY A -2 17.961 6.643 -6.273 1.00 6.84 H new ATOM 0 HA3 GLY A -2 19.371 6.775 -7.305 1.00 6.84 H new ATOM 10 N SER A -1 16.351 6.113 -8.492 1.00 5.63 N ATOM 11 CA SER A -1 15.389 6.471 -9.527 1.00 5.13 C ATOM 12 C SER A -1 13.969 6.213 -9.025 1.00 4.14 C ATOM 13 O SER A -1 13.275 5.336 -9.538 1.00 4.20 O ATOM 14 CB SER A -1 15.654 5.667 -10.808 1.00 5.89 C ATOM 15 OG SER A -1 16.973 5.882 -11.292 1.00 6.58 O ATOM 0 H SER A -1 16.051 5.348 -7.888 1.00 5.63 H new ATOM 0 HA SER A -1 15.498 7.531 -9.758 1.00 5.13 H new ATOM 0 HB2 SER A -1 15.506 4.605 -10.610 1.00 5.89 H new ATOM 0 HB3 SER A -1 14.933 5.952 -11.574 1.00 5.89 H new ATOM 0 HG SER A -1 17.112 5.356 -12.107 1.00 6.58 H new ATOM 19 N VAL A 1 13.608 6.917 -7.943 1.00 3.59 N ATOM 20 CA VAL A 1 12.323 6.747 -7.247 1.00 2.90 C ATOM 21 C VAL A 1 12.016 5.258 -7.024 1.00 2.46 C ATOM 22 O VAL A 1 10.948 4.744 -7.360 1.00 2.65 O ATOM 23 CB VAL A 1 11.151 7.502 -7.953 1.00 2.83 C ATOM 24 CG1 VAL A 1 10.759 6.886 -9.291 1.00 2.99 C ATOM 25 CG2 VAL A 1 9.944 7.603 -7.030 1.00 3.50 C ATOM 0 H VAL A 1 14.206 7.628 -7.521 1.00 3.59 H new ATOM 0 HA VAL A 1 12.419 7.213 -6.266 1.00 2.90 H new ATOM 0 HB VAL A 1 11.517 8.505 -8.173 1.00 2.83 H new ATOM 0 HG11 VAL A 1 9.940 7.457 -9.729 1.00 2.99 H new ATOM 0 HG12 VAL A 1 11.615 6.905 -9.965 1.00 2.99 H new ATOM 0 HG13 VAL A 1 10.441 5.855 -9.138 1.00 2.99 H new ATOM 0 HG21 VAL A 1 9.139 8.132 -7.540 1.00 3.50 H new ATOM 0 HG22 VAL A 1 9.607 6.602 -6.761 1.00 3.50 H new ATOM 0 HG23 VAL A 1 10.221 8.148 -6.127 1.00 3.50 H new ATOM 35 N ASP A 2 13.018 4.562 -6.497 1.00 2.28 N ATOM 36 CA ASP A 2 12.933 3.125 -6.272 1.00 1.96 C ATOM 37 C ASP A 2 11.831 2.792 -5.285 1.00 1.39 C ATOM 38 O ASP A 2 11.862 3.231 -4.133 1.00 2.12 O ATOM 39 CB ASP A 2 14.266 2.588 -5.751 1.00 2.27 C ATOM 40 CG ASP A 2 15.371 2.670 -6.780 1.00 2.32 C ATOM 41 OD1 ASP A 2 15.294 1.959 -7.797 1.00 2.52 O ATOM 42 OD2 ASP A 2 16.321 3.457 -6.577 1.00 2.66 O ATOM 0 H ASP A 2 13.907 4.976 -6.216 1.00 2.28 H new ATOM 0 HA ASP A 2 12.701 2.652 -7.226 1.00 1.96 H new ATOM 0 HB2 ASP A 2 14.558 3.151 -4.865 1.00 2.27 H new ATOM 0 HB3 ASP A 2 14.139 1.550 -5.442 1.00 2.27 H new ATOM 45 N PHE A 3 10.878 1.994 -5.742 1.00 0.94 N ATOM 46 CA PHE A 3 9.752 1.579 -4.919 1.00 0.64 C ATOM 47 C PHE A 3 10.231 0.811 -3.692 1.00 0.52 C ATOM 48 O PHE A 3 9.803 1.079 -2.570 1.00 0.46 O ATOM 49 CB PHE A 3 8.805 0.697 -5.741 1.00 1.16 C ATOM 50 CG PHE A 3 7.596 0.232 -4.980 1.00 0.79 C ATOM 51 CD1 PHE A 3 6.557 1.103 -4.700 1.00 0.87 C ATOM 52 CD2 PHE A 3 7.499 -1.080 -4.549 1.00 0.86 C ATOM 53 CE1 PHE A 3 5.446 0.676 -4.003 1.00 1.16 C ATOM 54 CE2 PHE A 3 6.391 -1.511 -3.851 1.00 0.71 C ATOM 55 CZ PHE A 3 5.363 -0.634 -3.577 1.00 0.99 C ATOM 0 H PHE A 3 10.863 1.617 -6.690 1.00 0.94 H new ATOM 0 HA PHE A 3 9.223 2.472 -4.585 1.00 0.64 H new ATOM 0 HB2 PHE A 3 8.478 1.252 -6.620 1.00 1.16 H new ATOM 0 HB3 PHE A 3 9.354 -0.174 -6.100 1.00 1.16 H new ATOM 0 HD1 PHE A 3 6.617 2.129 -5.031 1.00 0.87 H new ATOM 0 HD2 PHE A 3 8.300 -1.773 -4.762 1.00 0.86 H new ATOM 0 HE1 PHE A 3 4.642 1.366 -3.791 1.00 1.16 H new ATOM 0 HE2 PHE A 3 6.328 -2.537 -3.518 1.00 0.71 H new ATOM 0 HZ PHE A 3 4.495 -0.971 -3.030 1.00 0.99 H new ATOM 63 N ALA A 4 11.103 -0.163 -3.923 1.00 0.56 N ATOM 64 CA ALA A 4 11.600 -1.022 -2.859 1.00 0.55 C ATOM 65 C ALA A 4 12.351 -0.228 -1.796 1.00 0.57 C ATOM 66 O ALA A 4 12.124 -0.416 -0.602 1.00 0.54 O ATOM 67 CB ALA A 4 12.491 -2.109 -3.440 1.00 0.64 C ATOM 0 H ALA A 4 11.482 -0.377 -4.845 1.00 0.56 H new ATOM 0 HA ALA A 4 10.741 -1.484 -2.374 1.00 0.55 H new ATOM 0 HB1 ALA A 4 12.858 -2.747 -2.636 1.00 0.64 H new ATOM 0 HB2 ALA A 4 11.918 -2.710 -4.147 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.336 -1.651 -3.954 1.00 0.64 H new ATOM 73 N PHE A 5 13.247 0.651 -2.234 1.00 0.62 N ATOM 74 CA PHE A 5 14.044 1.444 -1.309 1.00 0.66 C ATOM 75 C PHE A 5 13.153 2.331 -0.446 1.00 0.59 C ATOM 76 O PHE A 5 13.269 2.336 0.781 1.00 0.57 O ATOM 77 CB PHE A 5 15.059 2.300 -2.072 1.00 0.79 C ATOM 78 CG PHE A 5 15.933 3.140 -1.179 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.493 2.607 -0.027 1.00 1.04 C ATOM 80 CD2 PHE A 5 16.197 4.464 -1.494 1.00 1.20 C ATOM 81 CE1 PHE A 5 17.290 3.380 0.795 1.00 1.46 C ATOM 82 CE2 PHE A 5 16.994 5.242 -0.673 1.00 1.56 C ATOM 83 CZ PHE A 5 17.542 4.697 0.472 1.00 1.65 C ATOM 0 H PHE A 5 13.438 0.831 -3.220 1.00 0.62 H new ATOM 0 HA PHE A 5 14.584 0.758 -0.656 1.00 0.66 H new ATOM 0 HB2 PHE A 5 15.691 1.648 -2.675 1.00 0.79 H new ATOM 0 HB3 PHE A 5 14.525 2.953 -2.762 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.304 1.575 0.230 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.776 4.893 -2.391 1.00 1.20 H new ATOM 0 HE1 PHE A 5 17.716 2.953 1.691 1.00 1.46 H new ATOM 0 HE2 PHE A 5 17.187 6.274 -0.927 1.00 1.56 H new ATOM 0 HZ PHE A 5 18.167 5.301 1.113 1.00 1.65 H new ATOM 91 N GLU A 6 12.241 3.052 -1.084 1.00 0.57 N ATOM 92 CA GLU A 6 11.334 3.930 -0.358 1.00 0.53 C ATOM 93 C GLU A 6 10.421 3.138 0.569 1.00 0.49 C ATOM 94 O GLU A 6 10.100 3.595 1.664 1.00 0.49 O ATOM 95 CB GLU A 6 10.496 4.775 -1.319 1.00 0.57 C ATOM 96 CG GLU A 6 11.310 5.766 -2.136 1.00 0.70 C ATOM 97 CD GLU A 6 12.165 6.682 -1.282 1.00 1.42 C ATOM 98 OE1 GLU A 6 11.595 7.463 -0.490 1.00 1.97 O ATOM 99 OE2 GLU A 6 13.406 6.636 -1.394 1.00 2.09 O ATOM 0 H GLU A 6 12.110 3.047 -2.096 1.00 0.57 H new ATOM 0 HA GLU A 6 11.947 4.597 0.248 1.00 0.53 H new ATOM 0 HB2 GLU A 6 9.961 4.112 -1.998 1.00 0.57 H new ATOM 0 HB3 GLU A 6 9.745 5.320 -0.748 1.00 0.57 H new ATOM 0 HG2 GLU A 6 11.952 5.218 -2.825 1.00 0.70 H new ATOM 0 HG3 GLU A 6 10.634 6.370 -2.742 1.00 0.70 H new ATOM 102 N LEU A 7 9.973 1.972 0.124 1.00 0.49 N ATOM 103 CA LEU A 7 9.040 1.182 0.913 1.00 0.51 C ATOM 104 C LEU A 7 9.707 0.634 2.175 1.00 0.53 C ATOM 105 O LEU A 7 9.167 0.768 3.276 1.00 0.56 O ATOM 106 CB LEU A 7 8.480 0.039 0.072 1.00 0.56 C ATOM 107 CG LEU A 7 7.240 -0.643 0.648 1.00 0.79 C ATOM 108 CD1 LEU A 7 6.128 0.371 0.860 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.775 -1.750 -0.277 1.00 1.45 C ATOM 0 H LEU A 7 10.237 1.556 -0.769 1.00 0.49 H new ATOM 0 HA LEU A 7 8.222 1.832 1.222 1.00 0.51 H new ATOM 0 HB2 LEU A 7 8.237 0.423 -0.919 1.00 0.56 H new ATOM 0 HB3 LEU A 7 9.260 -0.711 -0.059 1.00 0.56 H new ATOM 0 HG LEU A 7 7.498 -1.079 1.613 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.252 -0.131 1.271 1.00 1.43 H new ATOM 0 HD12 LEU A 7 6.465 1.140 1.555 1.00 1.43 H new ATOM 0 HD13 LEU A 7 5.869 0.832 -0.093 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.891 -2.229 0.144 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.530 -1.330 -1.253 1.00 1.45 H new ATOM 0 HD23 LEU A 7 7.569 -2.488 -0.388 1.00 1.45 H new ATOM 119 N ARG A 8 10.900 0.061 2.026 1.00 0.56 N ATOM 120 CA ARG A 8 11.621 -0.471 3.179 1.00 0.62 C ATOM 121 C ARG A 8 12.046 0.658 4.108 1.00 0.60 C ATOM 122 O ARG A 8 12.022 0.511 5.331 1.00 0.63 O ATOM 123 CB ARG A 8 12.832 -1.313 2.760 1.00 0.70 C ATOM 124 CG ARG A 8 13.943 -0.546 2.066 1.00 1.30 C ATOM 125 CD ARG A 8 15.173 -1.424 1.896 1.00 1.61 C ATOM 126 NE ARG A 8 14.868 -2.645 1.149 1.00 1.92 N ATOM 127 CZ ARG A 8 14.948 -2.754 -0.175 1.00 2.84 C ATOM 128 NH1 ARG A 8 15.524 -1.797 -0.890 1.00 3.51 N ATOM 129 NH2 ARG A 8 14.502 -3.849 -0.772 1.00 3.56 N ATOM 0 H ARG A 8 11.381 -0.046 1.133 1.00 0.56 H new ATOM 0 HA ARG A 8 10.939 -1.131 3.716 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.244 -1.795 3.647 1.00 0.70 H new ATOM 0 HB3 ARG A 8 12.490 -2.107 2.096 1.00 0.70 H new ATOM 0 HG2 ARG A 8 13.599 -0.199 1.091 1.00 1.30 H new ATOM 0 HG3 ARG A 8 14.199 0.340 2.647 1.00 1.30 H new ATOM 0 HD2 ARG A 8 15.951 -0.864 1.376 1.00 1.61 H new ATOM 0 HD3 ARG A 8 15.571 -1.687 2.876 1.00 1.61 H new ATOM 0 HE ARG A 8 14.575 -3.466 1.678 1.00 1.92 H new ATOM 0 HH11 ARG A 8 15.908 -0.974 -0.425 1.00 3.51 H new ATOM 0 HH12 ARG A 8 15.583 -1.884 -1.905 1.00 3.51 H new ATOM 0 HH21 ARG A 8 14.099 -4.604 -0.217 1.00 3.56 H new ATOM 0 HH22 ARG A 8 14.561 -3.937 -1.786 1.00 3.56 H new ATOM 137 N LYS A 9 12.365 1.808 3.526 1.00 0.56 N ATOM 138 CA LYS A 9 12.710 2.983 4.309 1.00 0.56 C ATOM 139 C LYS A 9 11.500 3.452 5.117 1.00 0.50 C ATOM 140 O LYS A 9 11.621 3.764 6.296 1.00 0.50 O ATOM 141 CB LYS A 9 13.222 4.103 3.401 1.00 0.60 C ATOM 142 CG LYS A 9 13.670 5.345 4.154 1.00 1.06 C ATOM 143 CD LYS A 9 14.315 6.360 3.227 1.00 1.67 C ATOM 144 CE LYS A 9 13.370 6.783 2.116 1.00 2.14 C ATOM 145 NZ LYS A 9 13.941 7.872 1.282 1.00 2.75 N ATOM 0 H LYS A 9 12.391 1.949 2.516 1.00 0.56 H new ATOM 0 HA LYS A 9 13.508 2.718 5.003 1.00 0.56 H new ATOM 0 HB2 LYS A 9 14.057 3.726 2.810 1.00 0.60 H new ATOM 0 HB3 LYS A 9 12.434 4.379 2.700 1.00 0.60 H new ATOM 0 HG2 LYS A 9 12.812 5.799 4.651 1.00 1.06 H new ATOM 0 HG3 LYS A 9 14.377 5.063 4.934 1.00 1.06 H new ATOM 0 HD2 LYS A 9 14.618 7.236 3.800 1.00 1.67 H new ATOM 0 HD3 LYS A 9 15.220 5.934 2.793 1.00 1.67 H new ATOM 0 HE2 LYS A 9 13.145 5.923 1.485 1.00 2.14 H new ATOM 0 HE3 LYS A 9 12.427 7.115 2.550 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 13.202 8.257 0.660 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 14.303 8.627 1.898 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 14.718 7.495 0.703 1.00 2.75 H new ATOM 151 N ALA A 10 10.322 3.413 4.498 1.00 0.47 N ATOM 152 CA ALA A 10 9.076 3.760 5.183 1.00 0.44 C ATOM 153 C ALA A 10 8.804 2.799 6.332 1.00 0.45 C ATOM 154 O ALA A 10 8.332 3.198 7.392 1.00 0.47 O ATOM 155 CB ALA A 10 7.912 3.758 4.203 1.00 0.44 C ATOM 0 H ALA A 10 10.203 3.144 3.521 1.00 0.47 H new ATOM 0 HA ALA A 10 9.183 4.763 5.595 1.00 0.44 H new ATOM 0 HB1 ALA A 10 6.993 4.018 4.729 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.098 4.488 3.415 1.00 0.44 H new ATOM 0 HB3 ALA A 10 7.809 2.767 3.762 1.00 0.44 H new ATOM 161 N GLN A 11 9.124 1.533 6.117 1.00 0.47 N ATOM 162 CA GLN A 11 8.965 0.517 7.146 1.00 0.53 C ATOM 163 C GLN A 11 9.909 0.799 8.315 1.00 0.58 C ATOM 164 O GLN A 11 9.563 0.585 9.480 1.00 0.63 O ATOM 165 CB GLN A 11 9.255 -0.866 6.556 1.00 0.59 C ATOM 166 CG GLN A 11 8.143 -1.887 6.762 1.00 1.07 C ATOM 167 CD GLN A 11 8.012 -2.345 8.201 1.00 1.69 C ATOM 168 OE1 GLN A 11 7.590 -1.592 9.079 1.00 2.18 O ATOM 169 NE2 GLN A 11 8.393 -3.585 8.454 1.00 2.44 N ATOM 0 H GLN A 11 9.497 1.183 5.235 1.00 0.47 H new ATOM 0 HA GLN A 11 7.939 0.540 7.513 1.00 0.53 H new ATOM 0 HB2 GLN A 11 9.440 -0.760 5.487 1.00 0.59 H new ATOM 0 HB3 GLN A 11 10.172 -1.252 7.001 1.00 0.59 H new ATOM 0 HG2 GLN A 11 7.197 -1.454 6.438 1.00 1.07 H new ATOM 0 HG3 GLN A 11 8.332 -2.753 6.128 1.00 1.07 H new ATOM 0 HE21 GLN A 11 8.737 -4.177 7.698 1.00 2.44 H new ATOM 0 HE22 GLN A 11 8.343 -3.950 9.405 1.00 2.44 H new ATOM 174 N ASP A 12 11.120 1.232 7.985 1.00 0.61 N ATOM 175 CA ASP A 12 12.154 1.481 8.986 1.00 0.73 C ATOM 176 C ASP A 12 11.903 2.781 9.752 1.00 0.68 C ATOM 177 O ASP A 12 11.944 2.798 10.980 1.00 0.73 O ATOM 178 CB ASP A 12 13.527 1.532 8.303 1.00 0.92 C ATOM 179 CG ASP A 12 14.680 1.770 9.263 1.00 0.95 C ATOM 180 OD1 ASP A 12 14.727 2.853 9.881 1.00 1.43 O ATOM 181 OD2 ASP A 12 15.529 0.868 9.433 1.00 1.32 O ATOM 0 H ASP A 12 11.413 1.419 7.026 1.00 0.61 H new ATOM 0 HA ASP A 12 12.128 0.664 9.708 1.00 0.73 H new ATOM 0 HB2 ASP A 12 13.694 0.594 7.774 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.521 2.324 7.554 1.00 0.92 H new ATOM 184 N THR A 13 11.672 3.870 9.032 1.00 0.64 N ATOM 185 CA THR A 13 11.504 5.171 9.669 1.00 0.68 C ATOM 186 C THR A 13 10.086 5.709 9.460 1.00 0.58 C ATOM 187 O THR A 13 9.883 6.890 9.159 1.00 0.95 O ATOM 188 CB THR A 13 12.564 6.189 9.163 1.00 0.96 C ATOM 189 OG1 THR A 13 12.381 7.463 9.792 1.00 1.96 O ATOM 190 CG2 THR A 13 12.499 6.356 7.652 1.00 1.02 C ATOM 0 H THR A 13 11.597 3.881 8.015 1.00 0.64 H new ATOM 0 HA THR A 13 11.658 5.035 10.740 1.00 0.68 H new ATOM 0 HB THR A 13 13.545 5.793 9.426 1.00 0.96 H new ATOM 0 HG1 THR A 13 11.426 7.684 9.811 1.00 1.96 H new ATOM 0 HG21 THR A 13 13.254 7.075 7.333 1.00 1.02 H new ATOM 0 HG22 THR A 13 12.686 5.396 7.171 1.00 1.02 H new ATOM 0 HG23 THR A 13 11.511 6.717 7.368 1.00 1.02 H new ATOM 198 N GLY A 14 9.105 4.847 9.676 1.00 0.59 N ATOM 199 CA GLY A 14 7.720 5.248 9.547 1.00 0.55 C ATOM 200 C GLY A 14 6.774 4.236 10.158 1.00 0.50 C ATOM 201 O GLY A 14 7.000 3.765 11.277 1.00 0.64 O ATOM 0 H GLY A 14 9.244 3.872 9.940 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.577 6.215 10.030 1.00 0.55 H new ATOM 0 HA3 GLY A 14 7.478 5.379 8.492 1.00 0.55 H new ATOM 205 N LYS A 15 5.712 3.911 9.438 1.00 0.47 N ATOM 206 CA LYS A 15 4.710 2.972 9.920 1.00 0.55 C ATOM 207 C LYS A 15 3.916 2.416 8.741 1.00 0.41 C ATOM 208 O LYS A 15 3.266 3.167 8.007 1.00 0.42 O ATOM 209 CB LYS A 15 3.788 3.681 10.926 1.00 0.85 C ATOM 210 CG LYS A 15 2.810 2.770 11.659 1.00 1.63 C ATOM 211 CD LYS A 15 1.505 2.602 10.895 1.00 2.21 C ATOM 212 CE LYS A 15 0.414 2.022 11.781 1.00 2.74 C ATOM 213 NZ LYS A 15 0.142 2.892 12.956 1.00 3.52 N ATOM 0 H LYS A 15 5.520 4.287 8.509 1.00 0.47 H new ATOM 0 HA LYS A 15 5.195 2.137 10.426 1.00 0.55 H new ATOM 0 HB2 LYS A 15 4.406 4.193 11.663 1.00 0.85 H new ATOM 0 HB3 LYS A 15 3.221 4.447 10.398 1.00 0.85 H new ATOM 0 HG2 LYS A 15 3.269 1.793 11.811 1.00 1.63 H new ATOM 0 HG3 LYS A 15 2.602 3.182 12.646 1.00 1.63 H new ATOM 0 HD2 LYS A 15 1.184 3.567 10.504 1.00 2.21 H new ATOM 0 HD3 LYS A 15 1.665 1.948 10.038 1.00 2.21 H new ATOM 0 HE2 LYS A 15 -0.500 1.898 11.200 1.00 2.74 H new ATOM 0 HE3 LYS A 15 0.711 1.030 12.123 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 -0.823 2.717 13.301 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 0.824 2.678 13.712 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 0.235 3.890 12.678 1.00 3.52 H new ATOM 219 N ILE A 16 4.037 1.111 8.521 1.00 0.40 N ATOM 220 CA ILE A 16 3.405 0.457 7.383 1.00 0.37 C ATOM 221 C ILE A 16 2.503 -0.681 7.847 1.00 0.38 C ATOM 222 O ILE A 16 2.958 -1.612 8.515 1.00 0.48 O ATOM 223 CB ILE A 16 4.460 -0.124 6.411 1.00 0.51 C ATOM 224 CG1 ILE A 16 5.466 0.950 5.991 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.791 -0.733 5.185 1.00 0.63 C ATOM 226 CD1 ILE A 16 4.851 2.102 5.228 1.00 0.99 C ATOM 0 H ILE A 16 4.571 0.483 9.121 1.00 0.40 H new ATOM 0 HA ILE A 16 2.815 1.215 6.868 1.00 0.37 H new ATOM 0 HB ILE A 16 4.999 -0.912 6.936 1.00 0.51 H new ATOM 0 HG12 ILE A 16 5.960 1.339 6.881 1.00 0.59 H new ATOM 0 HG13 ILE A 16 6.238 0.489 5.374 1.00 0.59 H new ATOM 0 HG21 ILE A 16 4.553 -1.135 4.517 1.00 0.63 H new ATOM 0 HG22 ILE A 16 3.122 -1.535 5.496 1.00 0.63 H new ATOM 0 HG23 ILE A 16 3.219 0.035 4.664 1.00 0.63 H new ATOM 0 HD11 ILE A 16 5.627 2.821 4.966 1.00 0.99 H new ATOM 0 HD12 ILE A 16 4.382 1.727 4.318 1.00 0.99 H new ATOM 0 HD13 ILE A 16 4.100 2.590 5.849 1.00 0.99 H new ATOM 236 N VAL A 17 1.255 -0.654 7.412 1.00 0.36 N ATOM 237 CA VAL A 17 0.331 -1.744 7.682 1.00 0.37 C ATOM 238 C VAL A 17 0.406 -2.768 6.556 1.00 0.37 C ATOM 239 O VAL A 17 0.406 -2.402 5.384 1.00 0.59 O ATOM 240 CB VAL A 17 -1.118 -1.235 7.823 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.070 -2.377 8.143 1.00 0.83 C ATOM 242 CG2 VAL A 17 -1.195 -0.154 8.888 1.00 1.04 C ATOM 0 H VAL A 17 0.857 0.112 6.869 1.00 0.36 H new ATOM 0 HA VAL A 17 0.620 -2.206 8.626 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.424 -0.805 6.869 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.084 -1.990 8.237 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.036 -3.115 7.341 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.773 -2.847 9.081 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -2.223 0.196 8.977 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.866 -0.561 9.844 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.551 0.679 8.608 1.00 1.04 H new ATOM 252 N MET A 18 0.519 -4.039 6.906 1.00 0.32 N ATOM 253 CA MET A 18 0.647 -5.092 5.910 1.00 0.42 C ATOM 254 C MET A 18 -0.420 -6.160 6.113 1.00 0.63 C ATOM 255 O MET A 18 -0.561 -6.713 7.206 1.00 0.87 O ATOM 256 CB MET A 18 2.042 -5.725 5.984 1.00 0.74 C ATOM 257 CG MET A 18 3.167 -4.777 5.596 1.00 1.20 C ATOM 258 SD MET A 18 4.807 -5.494 5.830 1.00 1.77 S ATOM 259 CE MET A 18 4.919 -5.505 7.615 1.00 2.03 C ATOM 0 H MET A 18 0.525 -4.367 7.872 1.00 0.32 H new ATOM 0 HA MET A 18 0.509 -4.648 4.924 1.00 0.42 H new ATOM 0 HB2 MET A 18 2.215 -6.083 6.999 1.00 0.74 H new ATOM 0 HB3 MET A 18 2.071 -6.596 5.329 1.00 0.74 H new ATOM 0 HG2 MET A 18 3.048 -4.489 4.551 1.00 1.20 H new ATOM 0 HG3 MET A 18 3.087 -3.866 6.189 1.00 1.20 H new ATOM 0 HE1 MET A 18 5.958 -5.646 7.914 1.00 2.03 H new ATOM 0 HE2 MET A 18 4.554 -4.556 8.008 1.00 2.03 H new ATOM 0 HE3 MET A 18 4.313 -6.319 8.013 1.00 2.03 H new ATOM 265 N GLY A 19 -1.175 -6.440 5.059 1.00 0.70 N ATOM 266 CA GLY A 19 -2.222 -7.438 5.132 1.00 1.09 C ATOM 267 C GLY A 19 -3.215 -7.291 3.999 1.00 0.88 C ATOM 268 O GLY A 19 -2.832 -7.290 2.826 1.00 1.71 O ATOM 0 H GLY A 19 -1.079 -5.990 4.149 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -1.779 -8.433 5.101 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -2.742 -7.351 6.086 1.00 1.09 H new ATOM 272 N ALA A 20 -4.477 -7.093 4.352 1.00 0.76 N ATOM 273 CA ALA A 20 -5.524 -6.846 3.371 1.00 0.53 C ATOM 274 C ALA A 20 -6.768 -6.292 4.053 1.00 0.48 C ATOM 275 O ALA A 20 -7.138 -5.141 3.837 1.00 0.49 O ATOM 276 CB ALA A 20 -5.860 -8.116 2.604 1.00 0.67 C ATOM 0 H ALA A 20 -4.802 -7.099 5.319 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.157 -6.107 2.659 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -6.645 -7.905 1.877 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -4.971 -8.473 2.085 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.206 -8.881 3.300 1.00 0.67 H new ATOM 282 N ARG A 21 -7.346 -7.077 4.957 1.00 0.50 N ATOM 283 CA ARG A 21 -8.517 -6.638 5.713 1.00 0.54 C ATOM 284 C ARG A 21 -8.163 -5.495 6.660 1.00 0.49 C ATOM 285 O ARG A 21 -8.936 -4.550 6.821 1.00 0.54 O ATOM 286 CB ARG A 21 -9.141 -7.796 6.503 1.00 0.66 C ATOM 287 CG ARG A 21 -10.037 -8.710 5.674 1.00 1.48 C ATOM 288 CD ARG A 21 -9.244 -9.538 4.678 1.00 1.94 C ATOM 289 NE ARG A 21 -10.095 -10.429 3.894 1.00 2.79 N ATOM 290 CZ ARG A 21 -9.633 -11.304 3.001 1.00 3.74 C ATOM 291 NH1 ARG A 21 -8.324 -11.436 2.808 1.00 4.12 N ATOM 292 NH2 ARG A 21 -10.479 -12.061 2.314 1.00 4.68 N ATOM 0 H ARG A 21 -7.025 -8.018 5.184 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.250 -6.280 4.990 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -8.342 -8.392 6.943 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -9.724 -7.385 7.327 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -10.590 -9.374 6.338 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -10.773 -8.109 5.140 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -8.702 -8.873 4.006 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -8.499 -10.128 5.212 1.00 1.94 H new ATOM 0 HE ARG A 21 -11.103 -10.379 4.038 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -7.669 -10.867 3.344 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -7.974 -12.107 2.124 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -11.483 -11.973 2.469 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -10.125 -12.730 1.631 1.00 4.68 H new ATOM 300 N LYS A 22 -6.988 -5.584 7.274 1.00 0.46 N ATOM 301 CA LYS A 22 -6.520 -4.555 8.199 1.00 0.49 C ATOM 302 C LYS A 22 -6.393 -3.214 7.478 1.00 0.47 C ATOM 303 O LYS A 22 -6.750 -2.170 8.017 1.00 0.49 O ATOM 304 CB LYS A 22 -5.165 -4.960 8.788 1.00 0.50 C ATOM 305 CG LYS A 22 -4.762 -4.188 10.040 1.00 0.80 C ATOM 306 CD LYS A 22 -5.676 -4.509 11.213 1.00 1.14 C ATOM 307 CE LYS A 22 -5.040 -4.139 12.547 1.00 1.61 C ATOM 308 NZ LYS A 22 -4.776 -2.681 12.672 1.00 1.91 N ATOM 0 H LYS A 22 -6.339 -6.361 7.148 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.245 -4.453 9.006 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -5.190 -6.024 9.025 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.397 -4.820 8.028 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -3.732 -4.431 10.303 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -4.794 -3.118 9.835 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -6.617 -3.971 11.098 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -5.914 -5.573 11.207 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -5.696 -4.456 13.358 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -4.104 -4.685 12.662 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -4.375 -2.480 13.610 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -4.102 -2.386 11.937 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -5.666 -2.156 12.556 1.00 1.91 H new ATOM 314 N SER A 23 -5.900 -3.266 6.245 1.00 0.46 N ATOM 315 CA SER A 23 -5.710 -2.070 5.431 1.00 0.48 C ATOM 316 C SER A 23 -7.054 -1.437 5.062 1.00 0.48 C ATOM 317 O SER A 23 -7.178 -0.212 5.007 1.00 0.50 O ATOM 318 CB SER A 23 -4.919 -2.417 4.164 1.00 0.52 C ATOM 319 OG SER A 23 -4.472 -1.249 3.496 1.00 1.14 O ATOM 0 H SER A 23 -5.622 -4.132 5.784 1.00 0.46 H new ATOM 0 HA SER A 23 -5.145 -1.344 6.016 1.00 0.48 H new ATOM 0 HB2 SER A 23 -4.062 -3.038 4.427 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.545 -3.005 3.492 1.00 0.52 H new ATOM 0 HG SER A 23 -3.970 -1.503 2.694 1.00 1.14 H new ATOM 323 N ILE A 24 -8.063 -2.277 4.833 1.00 0.49 N ATOM 324 CA ILE A 24 -9.398 -1.798 4.475 1.00 0.52 C ATOM 325 C ILE A 24 -9.952 -0.892 5.568 1.00 0.49 C ATOM 326 O ILE A 24 -10.562 0.135 5.288 1.00 0.52 O ATOM 327 CB ILE A 24 -10.387 -2.966 4.249 1.00 0.57 C ATOM 328 CG1 ILE A 24 -9.854 -3.917 3.178 1.00 0.63 C ATOM 329 CG2 ILE A 24 -11.758 -2.432 3.849 1.00 0.60 C ATOM 330 CD1 ILE A 24 -10.703 -5.153 2.976 1.00 0.66 C ATOM 0 H ILE A 24 -7.982 -3.292 4.889 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.295 -1.241 3.544 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.489 -3.518 5.183 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -9.782 -3.379 2.232 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -8.843 -4.223 3.449 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.442 -3.266 3.694 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.143 -1.789 4.641 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -11.670 -1.858 2.926 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.259 -5.777 2.200 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.755 -5.715 3.908 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -11.708 -4.859 2.673 1.00 0.66 H new ATOM 340 N GLN A 25 -9.698 -1.266 6.813 1.00 0.47 N ATOM 341 CA GLN A 25 -10.159 -0.497 7.962 1.00 0.49 C ATOM 342 C GLN A 25 -9.592 0.925 7.945 1.00 0.44 C ATOM 343 O GLN A 25 -10.297 1.889 8.260 1.00 0.47 O ATOM 344 CB GLN A 25 -9.764 -1.220 9.247 1.00 0.54 C ATOM 345 CG GLN A 25 -10.200 -0.514 10.517 1.00 0.81 C ATOM 346 CD GLN A 25 -10.088 -1.401 11.739 1.00 1.35 C ATOM 347 OE1 GLN A 25 -9.975 -2.702 11.520 1.00 2.19 O flip ATOM 348 NE2 GLN A 25 -10.131 -0.923 12.872 1.00 1.75 N flip ATOM 0 H GLN A 25 -9.171 -2.105 7.056 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.245 -0.414 7.913 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.195 -2.221 9.235 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.681 -1.340 9.265 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -9.590 0.377 10.662 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -11.232 -0.180 10.408 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -10.219 0.086 12.997 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -10.079 -1.535 13.686 1.00 1.75 H new ATOM 353 N TYR A 26 -8.343 1.055 7.512 1.00 0.41 N ATOM 354 CA TYR A 26 -7.711 2.363 7.386 1.00 0.42 C ATOM 355 C TYR A 26 -8.353 3.158 6.256 1.00 0.42 C ATOM 356 O TYR A 26 -8.550 4.363 6.367 1.00 0.46 O ATOM 357 CB TYR A 26 -6.202 2.226 7.154 1.00 0.43 C ATOM 358 CG TYR A 26 -5.434 1.779 8.379 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.695 0.548 8.967 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.456 2.583 8.949 1.00 0.56 C ATOM 361 CE1 TYR A 26 -5.001 0.130 10.084 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.758 2.173 10.065 1.00 0.62 C ATOM 363 CZ TYR A 26 -4.018 0.968 10.627 1.00 0.57 C ATOM 364 OH TYR A 26 -3.340 0.539 11.744 1.00 0.66 O ATOM 0 H TYR A 26 -7.748 0.271 7.243 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.861 2.902 8.322 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.031 1.512 6.349 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.807 3.185 6.819 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.454 -0.093 8.543 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -4.238 3.546 8.511 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.212 -0.829 10.533 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -3.002 2.814 10.493 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.687 1.219 12.012 1.00 0.66 H new ATOM 372 N ALA A 27 -8.732 2.466 5.197 1.00 0.40 N ATOM 373 CA ALA A 27 -9.417 3.100 4.080 1.00 0.44 C ATOM 374 C ALA A 27 -10.820 3.551 4.489 1.00 0.48 C ATOM 375 O ALA A 27 -11.321 4.568 4.011 1.00 0.55 O ATOM 376 CB ALA A 27 -9.483 2.147 2.895 1.00 0.47 C ATOM 0 H ALA A 27 -8.578 1.464 5.085 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.852 3.984 3.785 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -9.998 2.633 2.066 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.472 1.878 2.587 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.026 1.247 3.182 1.00 0.47 H new ATOM 382 N LYS A 28 -11.462 2.753 5.335 1.00 0.48 N ATOM 383 CA LYS A 28 -12.835 3.012 5.767 1.00 0.56 C ATOM 384 C LYS A 28 -12.948 4.272 6.623 1.00 0.62 C ATOM 385 O LYS A 28 -13.898 5.043 6.474 1.00 0.73 O ATOM 386 CB LYS A 28 -13.372 1.819 6.564 1.00 0.58 C ATOM 387 CG LYS A 28 -13.565 0.566 5.732 1.00 1.02 C ATOM 388 CD LYS A 28 -13.863 -0.646 6.600 1.00 1.11 C ATOM 389 CE LYS A 28 -15.193 -0.514 7.328 1.00 1.31 C ATOM 390 NZ LYS A 28 -15.440 -1.667 8.235 1.00 2.06 N ATOM 0 H LYS A 28 -11.050 1.912 5.740 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.426 3.163 4.864 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -12.684 1.600 7.380 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -14.325 2.095 7.016 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -14.383 0.719 5.028 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -12.668 0.379 5.142 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -13.877 -1.542 5.979 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -13.063 -0.776 7.328 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -15.202 0.411 7.904 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -16.001 -0.444 6.600 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -16.355 -1.542 8.714 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -15.456 -2.547 7.681 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -14.682 -1.719 8.945 1.00 2.06 H new ATOM 396 N MET A 29 -12.078 4.398 7.620 1.00 0.60 N ATOM 397 CA MET A 29 -12.222 5.466 8.610 1.00 0.73 C ATOM 398 C MET A 29 -10.870 5.945 9.120 1.00 0.75 C ATOM 399 O MET A 29 -10.760 6.446 10.240 1.00 1.07 O ATOM 400 CB MET A 29 -13.037 4.947 9.794 1.00 1.26 C ATOM 401 CG MET A 29 -12.316 3.855 10.572 1.00 1.48 C ATOM 402 SD MET A 29 -13.286 3.214 11.948 1.00 2.39 S ATOM 403 CE MET A 29 -14.694 2.527 11.081 1.00 3.09 C ATOM 0 H MET A 29 -11.276 3.785 7.765 1.00 0.60 H new ATOM 0 HA MET A 29 -12.725 6.304 8.129 1.00 0.73 H new ATOM 0 HB2 MET A 29 -13.263 5.776 10.465 1.00 1.26 H new ATOM 0 HB3 MET A 29 -13.990 4.560 9.432 1.00 1.26 H new ATOM 0 HG2 MET A 29 -12.070 3.036 9.896 1.00 1.48 H new ATOM 0 HG3 MET A 29 -11.373 4.249 10.952 1.00 1.48 H new ATOM 0 HE1 MET A 29 -15.196 1.801 11.720 1.00 3.09 H new ATOM 0 HE2 MET A 29 -15.389 3.327 10.825 1.00 3.09 H new ATOM 0 HE3 MET A 29 -14.355 2.035 10.169 1.00 3.09 H new ATOM 409 N GLY A 30 -9.839 5.749 8.330 1.00 0.77 N ATOM 410 CA GLY A 30 -8.516 6.115 8.770 1.00 1.31 C ATOM 411 C GLY A 30 -8.030 7.404 8.163 1.00 0.87 C ATOM 412 O GLY A 30 -8.816 8.303 7.847 1.00 1.43 O ATOM 0 H GLY A 30 -9.890 5.345 7.395 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.513 6.207 9.856 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -7.820 5.315 8.516 1.00 1.31 H new ATOM 416 N GLY A 31 -6.727 7.477 7.997 1.00 0.71 N ATOM 417 CA GLY A 31 -6.099 8.645 7.426 1.00 1.01 C ATOM 418 C GLY A 31 -4.688 8.348 6.981 1.00 1.00 C ATOM 419 O GLY A 31 -3.779 9.154 7.172 1.00 1.67 O ATOM 0 H GLY A 31 -6.078 6.733 8.253 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -6.684 8.996 6.576 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -6.089 9.450 8.160 1.00 1.01 H new ATOM 423 N ALA A 32 -4.510 7.180 6.378 1.00 0.55 N ATOM 424 CA ALA A 32 -3.214 6.780 5.857 1.00 0.47 C ATOM 425 C ALA A 32 -2.834 7.669 4.687 1.00 0.42 C ATOM 426 O ALA A 32 -3.690 8.044 3.885 1.00 0.45 O ATOM 427 CB ALA A 32 -3.241 5.321 5.430 1.00 0.45 C ATOM 0 H ALA A 32 -5.251 6.493 6.238 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.467 6.892 6.643 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -2.263 5.037 5.042 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -3.487 4.695 6.288 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -3.993 5.183 4.653 1.00 0.45 H new ATOM 433 N LYS A 33 -1.575 8.077 4.632 1.00 0.43 N ATOM 434 CA LYS A 33 -1.124 8.977 3.583 1.00 0.45 C ATOM 435 C LYS A 33 -1.139 8.271 2.231 1.00 0.40 C ATOM 436 O LYS A 33 -1.488 8.867 1.215 1.00 0.43 O ATOM 437 CB LYS A 33 0.275 9.522 3.894 1.00 0.54 C ATOM 438 CG LYS A 33 0.783 10.536 2.875 1.00 1.19 C ATOM 439 CD LYS A 33 -0.171 11.714 2.718 1.00 1.27 C ATOM 440 CE LYS A 33 -0.196 12.599 3.955 1.00 1.41 C ATOM 441 NZ LYS A 33 1.084 13.333 4.140 1.00 1.85 N ATOM 0 H LYS A 33 -0.852 7.801 5.297 1.00 0.43 H new ATOM 0 HA LYS A 33 -1.812 9.821 3.539 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.262 9.987 4.880 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.976 8.689 3.944 1.00 0.54 H new ATOM 0 HG2 LYS A 33 1.762 10.901 3.184 1.00 1.19 H new ATOM 0 HG3 LYS A 33 0.916 10.046 1.911 1.00 1.19 H new ATOM 0 HD2 LYS A 33 0.126 12.308 1.854 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -1.176 11.342 2.519 1.00 1.27 H new ATOM 0 HE2 LYS A 33 -1.015 13.313 3.873 1.00 1.41 H new ATOM 0 HE3 LYS A 33 -0.393 11.987 4.835 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 0.965 14.058 4.876 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 1.828 12.666 4.428 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 1.355 13.789 3.245 1.00 1.85 H new ATOM 447 N LEU A 34 -0.748 7.007 2.219 1.00 0.36 N ATOM 448 CA LEU A 34 -0.719 6.236 0.987 1.00 0.34 C ATOM 449 C LEU A 34 -1.167 4.801 1.244 1.00 0.32 C ATOM 450 O LEU A 34 -0.736 4.183 2.207 1.00 0.49 O ATOM 451 CB LEU A 34 0.699 6.254 0.399 1.00 0.40 C ATOM 452 CG LEU A 34 0.917 5.354 -0.821 1.00 0.51 C ATOM 453 CD1 LEU A 34 0.014 5.775 -1.969 1.00 1.06 C ATOM 454 CD2 LEU A 34 2.373 5.385 -1.250 1.00 0.99 C ATOM 0 H LEU A 34 -0.447 6.494 3.047 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.408 6.686 0.272 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.946 7.279 0.122 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.401 5.957 1.178 1.00 0.40 H new ATOM 0 HG LEU A 34 0.660 4.332 -0.542 1.00 0.51 H new ATOM 0 HD11 LEU A 34 0.185 5.122 -2.825 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.028 5.700 -1.659 1.00 1.06 H new ATOM 0 HD13 LEU A 34 0.236 6.805 -2.248 1.00 1.06 H new ATOM 0 HD21 LEU A 34 2.510 4.740 -2.118 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.655 6.406 -1.508 1.00 0.99 H new ATOM 0 HD23 LEU A 34 3.001 5.031 -0.432 1.00 0.99 H new ATOM 464 N ILE A 35 -1.969 4.250 0.350 1.00 0.26 N ATOM 465 CA ILE A 35 -2.337 2.841 0.432 1.00 0.23 C ATOM 466 C ILE A 35 -2.004 2.150 -0.883 1.00 0.24 C ATOM 467 O ILE A 35 -2.358 2.638 -1.952 1.00 0.31 O ATOM 468 CB ILE A 35 -3.835 2.640 0.771 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.114 3.069 2.216 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.246 1.186 0.562 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.563 2.918 2.630 1.00 0.30 C ATOM 0 H ILE A 35 -2.378 4.751 -0.439 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.762 2.398 1.245 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.426 3.263 0.099 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.491 2.478 2.887 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -3.817 4.111 2.340 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.302 1.068 0.806 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -4.081 0.907 -0.479 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.650 0.543 1.209 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -5.681 3.241 3.664 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.192 3.531 1.984 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -5.860 1.873 2.540 1.00 0.30 H new ATOM 481 N ILE A 36 -1.241 1.070 -0.805 1.00 0.22 N ATOM 482 CA ILE A 36 -0.782 0.369 -1.995 1.00 0.25 C ATOM 483 C ILE A 36 -1.425 -1.009 -2.093 1.00 0.24 C ATOM 484 O ILE A 36 -1.415 -1.777 -1.129 1.00 0.25 O ATOM 485 CB ILE A 36 0.756 0.216 -1.983 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.420 1.589 -1.839 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.240 -0.489 -3.245 1.00 0.34 C ATOM 488 CD1 ILE A 36 2.927 1.533 -1.697 1.00 0.40 C ATOM 0 H ILE A 36 -0.926 0.659 0.073 1.00 0.22 H new ATOM 0 HA ILE A 36 -1.075 0.963 -2.861 1.00 0.25 H new ATOM 0 HB ILE A 36 1.038 -0.398 -1.128 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.170 2.195 -2.710 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.002 2.094 -0.968 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.325 -0.585 -3.214 1.00 0.34 H new ATOM 0 HG22 ILE A 36 0.789 -1.480 -3.304 1.00 0.34 H new ATOM 0 HG23 ILE A 36 0.952 0.093 -4.120 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.321 2.545 -1.600 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.188 0.955 -0.810 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.358 1.059 -2.579 1.00 0.40 H new ATOM 498 N VAL A 37 -1.962 -1.328 -3.263 1.00 0.25 N ATOM 499 CA VAL A 37 -2.578 -2.629 -3.497 1.00 0.25 C ATOM 500 C VAL A 37 -1.921 -3.327 -4.686 1.00 0.23 C ATOM 501 O VAL A 37 -1.637 -2.698 -5.704 1.00 0.26 O ATOM 502 CB VAL A 37 -4.102 -2.512 -3.745 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.822 -2.038 -2.491 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.396 -1.575 -4.909 1.00 0.31 C ATOM 0 H VAL A 37 -1.984 -0.702 -4.068 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.425 -3.221 -2.595 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.473 -3.504 -4.001 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.891 -1.964 -2.691 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.653 -2.750 -1.683 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.439 -1.060 -2.199 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.473 -1.511 -5.061 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -4.002 -0.584 -4.687 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.924 -1.959 -5.813 1.00 0.31 H new ATOM 514 N ALA A 38 -1.654 -4.619 -4.540 1.00 0.20 N ATOM 515 CA ALA A 38 -1.026 -5.397 -5.603 1.00 0.21 C ATOM 516 C ALA A 38 -1.929 -5.466 -6.831 1.00 0.27 C ATOM 517 O ALA A 38 -3.146 -5.594 -6.706 1.00 0.33 O ATOM 518 CB ALA A 38 -0.702 -6.797 -5.103 1.00 0.26 C ATOM 0 H ALA A 38 -1.862 -5.151 -3.695 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.099 -4.902 -5.892 1.00 0.21 H new ATOM 0 HB1 ALA A 38 -0.234 -7.370 -5.903 1.00 0.26 H new ATOM 0 HB2 ALA A 38 -0.019 -6.732 -4.256 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.621 -7.294 -4.791 1.00 0.26 H new ATOM 524 N ARG A 39 -1.331 -5.382 -8.015 1.00 0.41 N ATOM 525 CA ARG A 39 -2.089 -5.468 -9.258 1.00 0.56 C ATOM 526 C ARG A 39 -2.781 -6.818 -9.370 1.00 0.54 C ATOM 527 O ARG A 39 -3.952 -6.901 -9.735 1.00 0.60 O ATOM 528 CB ARG A 39 -1.179 -5.245 -10.469 1.00 0.77 C ATOM 529 CG ARG A 39 -1.118 -3.796 -10.926 1.00 0.96 C ATOM 530 CD ARG A 39 -2.464 -3.327 -11.450 1.00 1.49 C ATOM 531 NE ARG A 39 -2.424 -1.943 -11.921 1.00 2.48 N ATOM 532 CZ ARG A 39 -3.466 -1.317 -12.473 1.00 3.10 C ATOM 533 NH1 ARG A 39 -4.629 -1.945 -12.607 1.00 3.10 N ATOM 534 NH2 ARG A 39 -3.348 -0.061 -12.878 1.00 4.14 N ATOM 0 H ARG A 39 -0.327 -5.255 -8.140 1.00 0.41 H new ATOM 0 HA ARG A 39 -2.846 -4.684 -9.244 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -0.172 -5.582 -10.223 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.530 -5.863 -11.295 1.00 0.77 H new ATOM 0 HG2 ARG A 39 -0.808 -3.163 -10.095 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -0.364 -3.690 -11.706 1.00 0.96 H new ATOM 0 HD2 ARG A 39 -2.781 -3.977 -12.266 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -3.211 -3.419 -10.661 1.00 1.49 H new ATOM 0 HE ARG A 39 -1.550 -1.426 -11.822 1.00 2.48 H new ATOM 0 HH11 ARG A 39 -4.728 -2.909 -12.288 1.00 3.10 H new ATOM 0 HH12 ARG A 39 -5.423 -1.464 -13.029 1.00 3.10 H new ATOM 0 HH21 ARG A 39 -2.460 0.429 -12.768 1.00 4.14 H new ATOM 0 HH22 ARG A 39 -4.145 0.416 -13.300 1.00 4.14 H new ATOM 542 N ASN A 40 -2.059 -7.877 -9.031 1.00 0.55 N ATOM 543 CA ASN A 40 -2.616 -9.223 -9.091 1.00 0.64 C ATOM 544 C ASN A 40 -3.302 -9.603 -7.781 1.00 0.58 C ATOM 545 O ASN A 40 -3.346 -10.778 -7.413 1.00 0.87 O ATOM 546 CB ASN A 40 -1.534 -10.252 -9.429 1.00 0.81 C ATOM 547 CG ASN A 40 -0.957 -10.061 -10.818 1.00 1.57 C ATOM 548 OD1 ASN A 40 -0.321 -9.048 -11.104 1.00 2.18 O ATOM 549 ND2 ASN A 40 -1.174 -11.032 -11.692 1.00 2.33 N ATOM 0 H ASN A 40 -1.091 -7.832 -8.713 1.00 0.55 H new ATOM 0 HA ASN A 40 -3.364 -9.226 -9.884 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -0.732 -10.184 -8.694 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -1.955 -11.254 -9.350 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -0.808 -10.955 -12.641 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -1.707 -11.857 -11.416 1.00 2.33 H new ATOM 554 N ALA A 41 -3.929 -8.628 -7.142 1.00 0.46 N ATOM 555 CA ALA A 41 -4.740 -8.890 -5.963 1.00 0.43 C ATOM 556 C ALA A 41 -6.167 -9.196 -6.391 1.00 0.40 C ATOM 557 O ALA A 41 -6.547 -8.906 -7.527 1.00 0.44 O ATOM 558 CB ALA A 41 -4.704 -7.706 -5.003 1.00 0.47 C ATOM 0 H ALA A 41 -3.892 -7.647 -7.420 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.332 -9.752 -5.435 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -5.318 -7.927 -4.130 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.677 -7.524 -4.688 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -5.092 -6.819 -5.504 1.00 0.47 H new ATOM 564 N ARG A 42 -6.941 -9.816 -5.513 1.00 0.40 N ATOM 565 CA ARG A 42 -8.318 -10.161 -5.839 1.00 0.43 C ATOM 566 C ARG A 42 -9.163 -8.903 -6.016 1.00 0.44 C ATOM 567 O ARG A 42 -9.047 -7.953 -5.236 1.00 0.42 O ATOM 568 CB ARG A 42 -8.929 -11.055 -4.758 1.00 0.50 C ATOM 569 CG ARG A 42 -8.298 -12.437 -4.677 1.00 0.61 C ATOM 570 CD ARG A 42 -9.198 -13.414 -3.938 1.00 1.23 C ATOM 571 NE ARG A 42 -10.507 -13.540 -4.582 1.00 2.10 N ATOM 572 CZ ARG A 42 -11.433 -14.434 -4.238 1.00 2.98 C ATOM 573 NH1 ARG A 42 -11.195 -15.316 -3.274 1.00 3.25 N ATOM 574 NH2 ARG A 42 -12.600 -14.445 -4.872 1.00 3.98 N ATOM 0 H ARG A 42 -6.643 -10.089 -4.576 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.309 -10.712 -6.779 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.827 -10.562 -3.791 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -9.997 -11.164 -4.950 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -8.102 -12.809 -5.683 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -7.336 -12.370 -4.169 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -8.717 -14.391 -3.897 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -9.330 -13.080 -2.909 1.00 1.23 H new ATOM 0 HE ARG A 42 -10.725 -12.900 -5.346 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -10.297 -15.313 -2.790 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -11.910 -15.997 -3.018 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -12.782 -13.772 -5.617 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -13.314 -15.126 -4.614 1.00 3.98 H new ATOM 582 N PRO A 43 -9.992 -8.862 -7.076 1.00 0.50 N ATOM 583 CA PRO A 43 -10.839 -7.705 -7.391 1.00 0.58 C ATOM 584 C PRO A 43 -11.713 -7.279 -6.214 1.00 0.60 C ATOM 585 O PRO A 43 -11.900 -6.085 -5.979 1.00 0.64 O ATOM 586 CB PRO A 43 -11.701 -8.199 -8.553 1.00 0.67 C ATOM 587 CG PRO A 43 -10.885 -9.261 -9.198 1.00 0.86 C ATOM 588 CD PRO A 43 -10.136 -9.932 -8.082 1.00 0.55 C ATOM 0 HA PRO A 43 -10.246 -6.822 -7.630 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -12.655 -8.591 -8.201 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -11.926 -7.393 -9.251 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -11.517 -9.973 -9.729 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -10.199 -8.837 -9.931 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -10.686 -10.785 -7.685 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -9.167 -10.304 -8.415 1.00 0.55 H new ATOM 590 N ASP A 44 -12.192 -8.257 -5.440 1.00 0.61 N ATOM 591 CA ASP A 44 -12.991 -7.972 -4.246 1.00 0.68 C ATOM 592 C ASP A 44 -12.210 -7.100 -3.275 1.00 0.60 C ATOM 593 O ASP A 44 -12.738 -6.137 -2.724 1.00 0.65 O ATOM 594 CB ASP A 44 -13.413 -9.258 -3.528 1.00 0.77 C ATOM 595 CG ASP A 44 -14.520 -10.003 -4.244 1.00 1.62 C ATOM 596 OD1 ASP A 44 -15.562 -9.383 -4.538 1.00 2.48 O ATOM 597 OD2 ASP A 44 -14.344 -11.203 -4.536 1.00 2.04 O ATOM 0 H ASP A 44 -12.041 -9.250 -5.618 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.886 -7.446 -4.579 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -12.547 -9.913 -3.430 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -13.743 -9.012 -2.519 1.00 0.77 H new ATOM 600 N ILE A 45 -10.942 -7.436 -3.094 1.00 0.50 N ATOM 601 CA ILE A 45 -10.062 -6.677 -2.220 1.00 0.44 C ATOM 602 C ILE A 45 -9.737 -5.319 -2.834 1.00 0.40 C ATOM 603 O ILE A 45 -9.817 -4.288 -2.161 1.00 0.38 O ATOM 604 CB ILE A 45 -8.747 -7.448 -1.951 1.00 0.45 C ATOM 605 CG1 ILE A 45 -9.039 -8.763 -1.219 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.767 -6.598 -1.152 1.00 0.42 C ATOM 607 CD1 ILE A 45 -9.649 -8.578 0.155 1.00 0.62 C ATOM 0 H ILE A 45 -10.497 -8.236 -3.545 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.583 -6.529 -1.274 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.287 -7.678 -2.912 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.714 -9.364 -1.828 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -8.111 -9.327 -1.121 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.852 -7.164 -0.978 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.532 -5.692 -1.711 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.215 -6.329 -0.195 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -9.826 -9.553 0.609 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -8.966 -8.005 0.782 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.594 -8.043 0.064 1.00 0.62 H new ATOM 617 N LYS A 46 -9.333 -5.331 -4.097 1.00 0.45 N ATOM 618 CA LYS A 46 -8.898 -4.112 -4.771 1.00 0.50 C ATOM 619 C LYS A 46 -10.013 -3.075 -4.874 1.00 0.52 C ATOM 620 O LYS A 46 -9.836 -1.941 -4.444 1.00 0.51 O ATOM 621 CB LYS A 46 -8.354 -4.435 -6.163 1.00 0.58 C ATOM 622 CG LYS A 46 -7.081 -5.267 -6.134 1.00 0.59 C ATOM 623 CD LYS A 46 -6.504 -5.502 -7.527 1.00 0.74 C ATOM 624 CE LYS A 46 -5.853 -4.249 -8.103 1.00 1.09 C ATOM 625 NZ LYS A 46 -6.851 -3.276 -8.623 1.00 1.59 N ATOM 0 H LYS A 46 -9.297 -6.170 -4.676 1.00 0.45 H new ATOM 0 HA LYS A 46 -8.104 -3.679 -4.162 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.117 -4.970 -6.728 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -8.159 -3.503 -6.694 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.337 -4.765 -5.516 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -7.290 -6.228 -5.664 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.767 -6.304 -7.482 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -7.298 -5.836 -8.195 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -5.250 -3.769 -7.332 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -5.174 -4.533 -8.907 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -6.508 -2.872 -9.518 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -7.756 -3.761 -8.786 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -6.987 -2.514 -7.929 1.00 1.59 H new ATOM 631 N GLU A 47 -11.158 -3.460 -5.431 1.00 0.59 N ATOM 632 CA GLU A 47 -12.263 -2.522 -5.623 1.00 0.65 C ATOM 633 C GLU A 47 -12.757 -1.971 -4.290 1.00 0.55 C ATOM 634 O GLU A 47 -13.104 -0.795 -4.180 1.00 0.55 O ATOM 635 CB GLU A 47 -13.418 -3.187 -6.380 1.00 0.79 C ATOM 636 CG GLU A 47 -14.537 -2.221 -6.745 1.00 1.15 C ATOM 637 CD GLU A 47 -15.612 -2.852 -7.608 1.00 1.76 C ATOM 638 OE1 GLU A 47 -15.505 -4.061 -7.907 1.00 2.06 O ATOM 639 OE2 GLU A 47 -16.579 -2.154 -7.978 1.00 2.60 O ATOM 0 H GLU A 47 -11.346 -4.408 -5.756 1.00 0.59 H new ATOM 0 HA GLU A 47 -11.888 -1.690 -6.219 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -13.031 -3.644 -7.291 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -13.827 -3.992 -5.769 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -14.991 -1.839 -5.831 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -14.113 -1.366 -7.271 1.00 1.15 H new ATOM 642 N ASP A 48 -12.772 -2.827 -3.282 1.00 0.50 N ATOM 643 CA ASP A 48 -13.230 -2.441 -1.952 1.00 0.47 C ATOM 644 C ASP A 48 -12.309 -1.388 -1.338 1.00 0.35 C ATOM 645 O ASP A 48 -12.762 -0.313 -0.942 1.00 0.36 O ATOM 646 CB ASP A 48 -13.290 -3.682 -1.062 1.00 0.55 C ATOM 647 CG ASP A 48 -13.950 -3.442 0.281 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.056 -2.867 0.305 1.00 1.21 O ATOM 649 OD2 ASP A 48 -13.331 -3.753 1.320 1.00 1.00 O ATOM 0 H ASP A 48 -12.471 -3.799 -3.357 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.224 -2.002 -2.034 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -13.832 -4.468 -1.587 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -12.277 -4.049 -0.898 1.00 0.55 H new ATOM 652 N ILE A 49 -11.011 -1.677 -1.318 1.00 0.29 N ATOM 653 CA ILE A 49 -10.028 -0.755 -0.752 1.00 0.24 C ATOM 654 C ILE A 49 -9.924 0.531 -1.566 1.00 0.26 C ATOM 655 O ILE A 49 -9.954 1.627 -1.006 1.00 0.26 O ATOM 656 CB ILE A 49 -8.628 -1.400 -0.650 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.669 -2.616 0.276 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.604 -0.384 -0.153 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.335 -3.314 0.424 1.00 0.36 C ATOM 0 H ILE A 49 -10.614 -2.541 -1.687 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.382 -0.514 0.250 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.327 -1.731 -1.644 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -9.015 -2.300 1.260 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.401 -3.328 -0.106 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.624 -0.857 -0.088 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.557 0.454 -0.848 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.899 -0.023 0.832 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.443 -4.166 1.095 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -6.996 -3.661 -0.552 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.604 -2.618 0.836 1.00 0.36 H new ATOM 669 N GLU A 50 -9.761 0.390 -2.879 1.00 0.31 N ATOM 670 CA GLU A 50 -9.572 1.540 -3.759 1.00 0.39 C ATOM 671 C GLU A 50 -10.733 2.524 -3.644 1.00 0.43 C ATOM 672 O GLU A 50 -10.519 3.733 -3.553 1.00 0.48 O ATOM 673 CB GLU A 50 -9.411 1.084 -5.211 1.00 0.46 C ATOM 674 CG GLU A 50 -8.139 0.284 -5.464 1.00 0.61 C ATOM 675 CD GLU A 50 -8.096 -0.320 -6.855 1.00 1.15 C ATOM 676 OE1 GLU A 50 -9.017 -0.051 -7.654 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.141 -1.066 -7.161 1.00 1.57 O ATOM 0 H GLU A 50 -9.756 -0.511 -3.358 1.00 0.31 H new ATOM 0 HA GLU A 50 -8.662 2.051 -3.445 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.273 0.477 -5.490 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -9.414 1.960 -5.860 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.273 0.932 -5.327 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.062 -0.512 -4.724 1.00 0.61 H new ATOM 680 N TYR A 51 -11.951 2.003 -3.616 1.00 0.44 N ATOM 681 CA TYR A 51 -13.133 2.845 -3.492 1.00 0.52 C ATOM 682 C TYR A 51 -13.207 3.486 -2.107 1.00 0.47 C ATOM 683 O TYR A 51 -13.403 4.697 -1.985 1.00 0.51 O ATOM 684 CB TYR A 51 -14.399 2.024 -3.757 1.00 0.61 C ATOM 685 CG TYR A 51 -15.683 2.774 -3.486 1.00 0.70 C ATOM 686 CD1 TYR A 51 -15.888 4.040 -4.016 1.00 0.78 C ATOM 687 CD2 TYR A 51 -16.696 2.213 -2.715 1.00 0.77 C ATOM 688 CE1 TYR A 51 -17.061 4.727 -3.787 1.00 0.88 C ATOM 689 CE2 TYR A 51 -17.875 2.894 -2.485 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.036 4.153 -2.957 1.00 0.91 C ATOM 691 OH TYR A 51 -19.227 4.831 -2.803 1.00 1.03 O ATOM 0 H TYR A 51 -12.147 1.004 -3.677 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.061 3.640 -4.234 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.395 1.693 -4.796 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.375 1.128 -3.137 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -15.115 4.495 -4.618 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.558 1.230 -2.290 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -17.227 5.693 -4.240 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -18.670 2.422 -1.928 1.00 0.87 H new ATOM 0 HH TYR A 51 -19.816 4.326 -2.204 1.00 1.03 H new ATOM 699 N TYR A 52 -13.073 2.665 -1.071 1.00 0.43 N ATOM 700 CA TYR A 52 -13.176 3.144 0.305 1.00 0.42 C ATOM 701 C TYR A 52 -12.120 4.201 0.603 1.00 0.38 C ATOM 702 O TYR A 52 -12.413 5.234 1.204 1.00 0.41 O ATOM 703 CB TYR A 52 -13.059 1.975 1.286 1.00 0.47 C ATOM 704 CG TYR A 52 -14.327 1.151 1.416 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.340 1.255 0.474 1.00 0.81 C ATOM 706 CD2 TYR A 52 -14.518 0.279 2.483 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.500 0.513 0.584 1.00 0.89 C ATOM 708 CE2 TYR A 52 -15.676 -0.465 2.601 1.00 1.09 C ATOM 709 CZ TYR A 52 -16.641 -0.375 1.662 1.00 0.84 C ATOM 710 OH TYR A 52 -17.820 -1.085 1.765 1.00 0.97 O ATOM 0 H TYR A 52 -12.893 1.665 -1.157 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.155 3.608 0.428 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.246 1.324 0.965 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -12.788 2.363 2.268 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.219 1.929 -0.361 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -13.747 0.182 3.233 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -17.287 0.615 -0.149 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -15.810 -1.121 3.448 1.00 1.09 H new ATOM 0 HH TYR A 52 -17.786 -1.664 2.555 1.00 0.97 H new ATOM 718 N ALA A 53 -10.906 3.969 0.136 1.00 0.33 N ATOM 719 CA ALA A 53 -9.833 4.928 0.321 1.00 0.34 C ATOM 720 C ALA A 53 -10.099 6.201 -0.478 1.00 0.39 C ATOM 721 O ALA A 53 -9.937 7.305 0.038 1.00 0.42 O ATOM 722 CB ALA A 53 -8.500 4.319 -0.076 1.00 0.34 C ATOM 0 H ALA A 53 -10.639 3.126 -0.373 1.00 0.33 H new ATOM 0 HA ALA A 53 -9.791 5.192 1.378 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -7.707 5.053 0.069 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.302 3.443 0.542 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -8.533 4.023 -1.125 1.00 0.34 H new ATOM 728 N ARG A 54 -10.512 6.041 -1.732 1.00 0.42 N ATOM 729 CA ARG A 54 -10.757 7.183 -2.609 1.00 0.50 C ATOM 730 C ARG A 54 -11.825 8.117 -2.035 1.00 0.51 C ATOM 731 O ARG A 54 -11.654 9.337 -2.049 1.00 0.55 O ATOM 732 CB ARG A 54 -11.156 6.714 -4.011 1.00 0.57 C ATOM 733 CG ARG A 54 -11.296 7.847 -5.020 1.00 1.11 C ATOM 734 CD ARG A 54 -10.010 8.655 -5.145 1.00 1.37 C ATOM 735 NE ARG A 54 -8.916 7.876 -5.726 1.00 2.13 N ATOM 736 CZ ARG A 54 -8.829 7.543 -7.016 1.00 3.01 C ATOM 737 NH1 ARG A 54 -9.710 8.016 -7.894 1.00 3.33 N ATOM 738 NH2 ARG A 54 -7.841 6.759 -7.425 1.00 4.04 N ATOM 0 H ARG A 54 -10.684 5.133 -2.164 1.00 0.42 H new ATOM 0 HA ARG A 54 -9.826 7.746 -2.680 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -10.410 6.007 -4.374 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -12.102 6.176 -3.949 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -11.563 7.436 -5.994 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -12.111 8.505 -4.717 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -10.195 9.534 -5.763 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -9.713 9.015 -4.160 1.00 1.37 H new ATOM 0 HE ARG A 54 -8.170 7.567 -5.104 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -10.457 8.637 -7.583 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -9.638 7.758 -8.878 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -7.153 6.414 -6.755 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -7.769 6.501 -8.409 1.00 4.04 H new ATOM 746 N LEU A 55 -12.914 7.558 -1.515 1.00 0.50 N ATOM 747 CA LEU A 55 -13.979 8.380 -0.945 1.00 0.55 C ATOM 748 C LEU A 55 -13.484 9.117 0.300 1.00 0.55 C ATOM 749 O LEU A 55 -13.858 10.264 0.545 1.00 0.61 O ATOM 750 CB LEU A 55 -15.241 7.544 -0.650 1.00 0.61 C ATOM 751 CG LEU A 55 -15.110 6.433 0.401 1.00 0.86 C ATOM 752 CD1 LEU A 55 -15.380 6.968 1.802 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.058 5.286 0.082 1.00 1.37 C ATOM 0 H LEU A 55 -13.082 6.553 -1.476 1.00 0.50 H new ATOM 0 HA LEU A 55 -14.261 9.129 -1.685 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -16.030 8.224 -0.328 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -15.573 7.090 -1.584 1.00 0.61 H new ATOM 0 HG LEU A 55 -14.086 6.061 0.372 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -15.280 6.159 2.526 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -14.663 7.755 2.036 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -16.391 7.373 1.848 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -15.953 4.506 0.837 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.085 5.652 0.079 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -15.817 4.876 -0.899 1.00 1.37 H new ATOM 763 N SER A 56 -12.590 8.476 1.045 1.00 0.52 N ATOM 764 CA SER A 56 -11.996 9.080 2.234 1.00 0.58 C ATOM 765 C SER A 56 -10.913 10.095 1.866 1.00 0.62 C ATOM 766 O SER A 56 -10.388 10.799 2.729 1.00 1.17 O ATOM 767 CB SER A 56 -11.407 7.993 3.129 1.00 0.56 C ATOM 768 OG SER A 56 -12.407 7.073 3.529 1.00 1.28 O ATOM 0 H SER A 56 -12.259 7.532 0.845 1.00 0.52 H new ATOM 0 HA SER A 56 -12.783 9.609 2.771 1.00 0.58 H new ATOM 0 HB2 SER A 56 -10.615 7.467 2.596 1.00 0.56 H new ATOM 0 HB3 SER A 56 -10.952 8.447 4.009 1.00 0.56 H new ATOM 0 HG SER A 56 -12.002 6.193 3.676 1.00 1.28 H new ATOM 772 N GLY A 57 -10.549 10.123 0.593 1.00 0.48 N ATOM 773 CA GLY A 57 -9.493 11.004 0.136 1.00 0.45 C ATOM 774 C GLY A 57 -8.119 10.451 0.451 1.00 0.35 C ATOM 775 O GLY A 57 -7.137 11.191 0.490 1.00 0.47 O ATOM 0 H GLY A 57 -10.969 9.547 -0.137 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.586 11.154 -0.940 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.607 11.981 0.605 1.00 0.45 H new ATOM 779 N ILE A 58 -8.039 9.137 0.584 1.00 0.36 N ATOM 780 CA ILE A 58 -6.769 8.466 0.790 1.00 0.31 C ATOM 781 C ILE A 58 -6.209 7.999 -0.551 1.00 0.32 C ATOM 782 O ILE A 58 -6.873 7.262 -1.284 1.00 0.33 O ATOM 783 CB ILE A 58 -6.910 7.257 1.747 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.373 7.724 3.134 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.594 6.500 1.847 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.544 6.600 4.139 1.00 0.35 C ATOM 0 H ILE A 58 -8.845 8.512 0.552 1.00 0.36 H new ATOM 0 HA ILE A 58 -6.084 9.179 1.250 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.663 6.581 1.343 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.650 8.440 3.525 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.321 8.252 3.030 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.712 5.654 2.524 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.307 6.138 0.860 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.820 7.165 2.229 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.873 7.012 5.093 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.289 5.894 3.772 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.593 6.085 4.274 1.00 0.35 H new ATOM 796 N PRO A 59 -5.022 8.492 -0.924 1.00 0.35 N ATOM 797 CA PRO A 59 -4.395 8.171 -2.208 1.00 0.39 C ATOM 798 C PRO A 59 -3.982 6.702 -2.303 1.00 0.36 C ATOM 799 O PRO A 59 -3.256 6.184 -1.449 1.00 0.37 O ATOM 800 CB PRO A 59 -3.161 9.082 -2.252 1.00 0.45 C ATOM 801 CG PRO A 59 -3.401 10.119 -1.209 1.00 0.46 C ATOM 802 CD PRO A 59 -4.221 9.448 -0.151 1.00 0.41 C ATOM 0 HA PRO A 59 -5.080 8.328 -3.041 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.250 8.520 -2.046 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.041 9.534 -3.236 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.460 10.488 -0.800 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -3.926 10.979 -1.625 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.597 8.948 0.589 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.847 10.159 0.388 1.00 0.41 H new ATOM 804 N VAL A 60 -4.456 6.040 -3.348 1.00 0.36 N ATOM 805 CA VAL A 60 -4.149 4.641 -3.584 1.00 0.33 C ATOM 806 C VAL A 60 -3.093 4.504 -4.674 1.00 0.39 C ATOM 807 O VAL A 60 -3.142 5.202 -5.687 1.00 0.50 O ATOM 808 CB VAL A 60 -5.411 3.850 -4.001 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.109 2.366 -4.136 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.540 4.076 -3.010 1.00 0.39 C ATOM 0 H VAL A 60 -5.063 6.458 -4.053 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.769 4.229 -2.649 1.00 0.33 H new ATOM 0 HB VAL A 60 -5.729 4.220 -4.976 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.015 1.836 -4.430 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.340 2.219 -4.894 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.755 1.978 -3.181 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.418 3.510 -3.323 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -6.228 3.743 -2.020 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.786 5.137 -2.975 1.00 0.39 H new ATOM 820 N TYR A 61 -2.172 3.573 -4.487 1.00 0.35 N ATOM 821 CA TYR A 61 -1.161 3.282 -5.487 1.00 0.41 C ATOM 822 C TYR A 61 -1.218 1.806 -5.864 1.00 0.39 C ATOM 823 O TYR A 61 -1.292 0.937 -4.995 1.00 0.32 O ATOM 824 CB TYR A 61 0.237 3.631 -4.972 1.00 0.46 C ATOM 825 CG TYR A 61 1.340 3.265 -5.942 1.00 0.53 C ATOM 826 CD1 TYR A 61 1.360 3.786 -7.230 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.344 2.377 -5.580 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.348 3.433 -8.128 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.338 2.022 -6.471 1.00 0.65 C ATOM 830 CZ TYR A 61 3.333 2.552 -7.743 1.00 0.72 C ATOM 831 OH TYR A 61 4.317 2.195 -8.634 1.00 0.83 O ATOM 0 H TYR A 61 -2.105 3.002 -3.644 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.364 3.892 -6.367 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.284 4.700 -4.765 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.408 3.116 -4.027 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.590 4.479 -7.534 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.348 1.957 -4.585 1.00 0.56 H new ATOM 0 HE1 TYR A 61 2.348 3.846 -9.126 1.00 0.73 H new ATOM 0 HE2 TYR A 61 4.114 1.333 -6.173 1.00 0.65 H new ATOM 0 HH TYR A 61 4.935 1.567 -8.205 1.00 0.83 H new ATOM 839 N GLU A 62 -1.184 1.530 -7.156 1.00 0.49 N ATOM 840 CA GLU A 62 -1.207 0.161 -7.639 1.00 0.52 C ATOM 841 C GLU A 62 0.209 -0.398 -7.693 1.00 0.50 C ATOM 842 O GLU A 62 1.054 0.107 -8.434 1.00 0.59 O ATOM 843 CB GLU A 62 -1.841 0.081 -9.035 1.00 0.68 C ATOM 844 CG GLU A 62 -3.198 0.761 -9.159 1.00 1.24 C ATOM 845 CD GLU A 62 -3.091 2.266 -9.318 1.00 1.83 C ATOM 846 OE1 GLU A 62 -2.381 2.721 -10.239 1.00 2.35 O ATOM 847 OE2 GLU A 62 -3.727 3.003 -8.537 1.00 2.47 O ATOM 0 H GLU A 62 -1.140 2.237 -7.890 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.808 -0.430 -6.948 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -1.158 0.531 -9.755 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -1.949 -0.968 -9.310 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -3.729 0.347 -10.016 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -3.794 0.535 -8.275 1.00 1.24 H new ATOM 850 N PHE A 63 0.449 -1.474 -6.961 1.00 0.42 N ATOM 851 CA PHE A 63 1.746 -2.134 -6.981 1.00 0.41 C ATOM 852 C PHE A 63 1.993 -2.769 -8.340 1.00 0.44 C ATOM 853 O PHE A 63 1.167 -3.536 -8.832 1.00 0.42 O ATOM 854 CB PHE A 63 1.837 -3.208 -5.891 1.00 0.41 C ATOM 855 CG PHE A 63 3.140 -3.960 -5.909 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.350 -3.284 -5.891 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.152 -5.345 -5.928 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.547 -3.981 -5.895 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.342 -6.043 -5.933 1.00 0.47 C ATOM 860 CZ PHE A 63 5.555 -5.335 -5.968 1.00 0.53 C ATOM 0 H PHE A 63 -0.237 -1.910 -6.345 1.00 0.42 H new ATOM 0 HA PHE A 63 2.507 -1.378 -6.789 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.709 -2.739 -4.916 1.00 0.41 H new ATOM 0 HB3 PHE A 63 1.016 -3.914 -6.015 1.00 0.41 H new ATOM 0 HD1 PHE A 63 4.360 -2.204 -5.874 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.217 -5.886 -5.939 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.481 -3.442 -5.840 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.341 -7.123 -5.910 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.491 -5.867 -6.053 1.00 0.53 H new ATOM 868 N GLU A 64 3.148 -2.474 -8.917 1.00 0.61 N ATOM 869 CA GLU A 64 3.540 -3.040 -10.201 1.00 0.70 C ATOM 870 C GLU A 64 3.980 -4.500 -10.050 1.00 0.62 C ATOM 871 O GLU A 64 5.139 -4.844 -10.296 1.00 0.89 O ATOM 872 CB GLU A 64 4.653 -2.197 -10.839 1.00 0.97 C ATOM 873 CG GLU A 64 5.797 -1.860 -9.893 1.00 1.61 C ATOM 874 CD GLU A 64 6.946 -1.166 -10.593 1.00 1.90 C ATOM 875 OE1 GLU A 64 6.758 -0.022 -11.056 1.00 2.08 O ATOM 876 OE2 GLU A 64 8.049 -1.748 -10.664 1.00 2.46 O ATOM 0 H GLU A 64 3.837 -1.840 -8.512 1.00 0.61 H new ATOM 0 HA GLU A 64 2.672 -3.022 -10.860 1.00 0.70 H new ATOM 0 HB2 GLU A 64 5.053 -2.734 -11.699 1.00 0.97 H new ATOM 0 HB3 GLU A 64 4.221 -1.269 -11.215 1.00 0.97 H new ATOM 0 HG2 GLU A 64 5.425 -1.221 -9.092 1.00 1.61 H new ATOM 0 HG3 GLU A 64 6.160 -2.776 -9.427 1.00 1.61 H new ATOM 879 N GLY A 65 3.059 -5.347 -9.608 1.00 0.62 N ATOM 880 CA GLY A 65 3.361 -6.752 -9.436 1.00 0.64 C ATOM 881 C GLY A 65 2.249 -7.506 -8.735 1.00 0.62 C ATOM 882 O GLY A 65 1.145 -6.981 -8.554 1.00 0.82 O ATOM 0 H GLY A 65 2.104 -5.083 -9.365 1.00 0.62 H new ATOM 0 HA2 GLY A 65 3.542 -7.203 -10.412 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.282 -6.854 -8.862 1.00 0.64 H new ATOM 886 N THR A 66 2.548 -8.727 -8.326 1.00 0.63 N ATOM 887 CA THR A 66 1.582 -9.572 -7.641 1.00 0.67 C ATOM 888 C THR A 66 1.814 -9.550 -6.129 1.00 0.60 C ATOM 889 O THR A 66 2.837 -9.049 -5.652 1.00 0.56 O ATOM 890 CB THR A 66 1.641 -11.028 -8.167 1.00 0.83 C ATOM 891 OG1 THR A 66 0.589 -11.814 -7.591 1.00 1.53 O ATOM 892 CG2 THR A 66 2.980 -11.676 -7.855 1.00 1.42 C ATOM 0 H THR A 66 3.462 -9.160 -8.458 1.00 0.63 H new ATOM 0 HA THR A 66 0.590 -9.171 -7.848 1.00 0.67 H new ATOM 0 HB THR A 66 1.516 -10.988 -9.249 1.00 0.83 H new ATOM 0 HG1 THR A 66 0.639 -12.730 -7.935 1.00 1.53 H new ATOM 0 HG21 THR A 66 2.988 -12.697 -8.237 1.00 1.42 H new ATOM 0 HG22 THR A 66 3.779 -11.105 -8.327 1.00 1.42 H new ATOM 0 HG23 THR A 66 3.134 -11.692 -6.776 1.00 1.42 H new ATOM 900 N SER A 67 0.869 -10.118 -5.388 1.00 0.61 N ATOM 901 CA SER A 67 0.944 -10.189 -3.934 1.00 0.58 C ATOM 902 C SER A 67 2.165 -10.984 -3.473 1.00 0.56 C ATOM 903 O SER A 67 2.754 -10.687 -2.435 1.00 0.54 O ATOM 904 CB SER A 67 -0.339 -10.818 -3.391 1.00 0.67 C ATOM 905 OG SER A 67 -0.716 -11.946 -4.167 1.00 1.25 O ATOM 0 H SER A 67 0.028 -10.543 -5.779 1.00 0.61 H new ATOM 0 HA SER A 67 1.049 -9.177 -3.544 1.00 0.58 H new ATOM 0 HB2 SER A 67 -0.191 -11.118 -2.353 1.00 0.67 H new ATOM 0 HB3 SER A 67 -1.142 -10.081 -3.399 1.00 0.67 H new ATOM 0 HG SER A 67 -1.538 -12.334 -3.802 1.00 1.25 H new ATOM 909 N VAL A 68 2.530 -11.999 -4.246 1.00 0.64 N ATOM 910 CA VAL A 68 3.677 -12.841 -3.919 1.00 0.67 C ATOM 911 C VAL A 68 4.969 -12.026 -3.945 1.00 0.58 C ATOM 912 O VAL A 68 5.751 -12.042 -2.991 1.00 0.59 O ATOM 913 CB VAL A 68 3.803 -14.022 -4.905 1.00 0.79 C ATOM 914 CG1 VAL A 68 4.868 -15.004 -4.440 1.00 0.84 C ATOM 915 CG2 VAL A 68 2.464 -14.722 -5.081 1.00 0.97 C ATOM 0 H VAL A 68 2.048 -12.261 -5.106 1.00 0.64 H new ATOM 0 HA VAL A 68 3.515 -13.235 -2.915 1.00 0.67 H new ATOM 0 HB VAL A 68 4.109 -13.624 -5.873 1.00 0.79 H new ATOM 0 HG11 VAL A 68 4.939 -15.828 -5.151 1.00 0.84 H new ATOM 0 HG12 VAL A 68 5.830 -14.495 -4.378 1.00 0.84 H new ATOM 0 HG13 VAL A 68 4.600 -15.394 -3.458 1.00 0.84 H new ATOM 0 HG21 VAL A 68 2.576 -15.551 -5.780 1.00 0.97 H new ATOM 0 HG22 VAL A 68 2.123 -15.103 -4.118 1.00 0.97 H new ATOM 0 HG23 VAL A 68 1.732 -14.015 -5.471 1.00 0.97 H new ATOM 925 N GLU A 69 5.142 -11.250 -5.010 1.00 0.57 N ATOM 926 CA GLU A 69 6.298 -10.371 -5.147 1.00 0.55 C ATOM 927 C GLU A 69 6.285 -9.307 -4.059 1.00 0.48 C ATOM 928 O GLU A 69 7.323 -8.995 -3.469 1.00 0.52 O ATOM 929 CB GLU A 69 6.306 -9.711 -6.526 1.00 0.65 C ATOM 930 CG GLU A 69 6.386 -10.702 -7.674 1.00 1.35 C ATOM 931 CD GLU A 69 6.196 -10.040 -9.023 1.00 1.73 C ATOM 932 OE1 GLU A 69 5.146 -9.398 -9.229 1.00 2.65 O ATOM 933 OE2 GLU A 69 7.096 -10.155 -9.883 1.00 1.82 O ATOM 0 H GLU A 69 4.492 -11.212 -5.795 1.00 0.57 H new ATOM 0 HA GLU A 69 7.202 -10.971 -5.041 1.00 0.55 H new ATOM 0 HB2 GLU A 69 5.403 -9.111 -6.637 1.00 0.65 H new ATOM 0 HB3 GLU A 69 7.153 -9.027 -6.587 1.00 0.65 H new ATOM 0 HG2 GLU A 69 7.354 -11.203 -7.651 1.00 1.35 H new ATOM 0 HG3 GLU A 69 5.626 -11.471 -7.540 1.00 1.35 H new ATOM 936 N LEU A 70 5.096 -8.784 -3.777 1.00 0.44 N ATOM 937 CA LEU A 70 4.918 -7.782 -2.735 1.00 0.41 C ATOM 938 C LEU A 70 5.334 -8.347 -1.375 1.00 0.48 C ATOM 939 O LEU A 70 6.141 -7.749 -0.662 1.00 0.56 O ATOM 940 CB LEU A 70 3.456 -7.325 -2.699 1.00 0.41 C ATOM 941 CG LEU A 70 3.177 -6.079 -1.859 1.00 0.38 C ATOM 942 CD1 LEU A 70 3.948 -4.888 -2.406 1.00 0.41 C ATOM 943 CD2 LEU A 70 1.686 -5.781 -1.832 1.00 0.43 C ATOM 0 H LEU A 70 4.236 -9.041 -4.261 1.00 0.44 H new ATOM 0 HA LEU A 70 5.552 -6.924 -2.958 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.128 -7.134 -3.721 1.00 0.41 H new ATOM 0 HB3 LEU A 70 2.847 -8.144 -2.316 1.00 0.41 H new ATOM 0 HG LEU A 70 3.510 -6.267 -0.838 1.00 0.38 H new ATOM 0 HD11 LEU A 70 3.739 -4.008 -1.797 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.016 -5.103 -2.379 1.00 0.41 H new ATOM 0 HD13 LEU A 70 3.642 -4.698 -3.435 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.504 -4.891 -1.230 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.331 -5.611 -2.848 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.154 -6.628 -1.399 1.00 0.43 H new ATOM 953 N GLY A 71 4.843 -9.545 -1.068 1.00 0.54 N ATOM 954 CA GLY A 71 5.207 -10.215 0.166 1.00 0.68 C ATOM 955 C GLY A 71 6.703 -10.397 0.301 1.00 0.71 C ATOM 956 O GLY A 71 7.277 -10.105 1.351 1.00 0.84 O ATOM 0 H GLY A 71 4.194 -10.066 -1.658 1.00 0.54 H new ATOM 0 HA2 GLY A 71 4.836 -9.638 1.013 1.00 0.68 H new ATOM 0 HA3 GLY A 71 4.720 -11.189 0.205 1.00 0.68 H new ATOM 960 N THR A 72 7.338 -10.825 -0.782 1.00 0.65 N ATOM 961 CA THR A 72 8.783 -11.006 -0.813 1.00 0.75 C ATOM 962 C THR A 72 9.521 -9.683 -0.577 1.00 0.75 C ATOM 963 O THR A 72 10.572 -9.656 0.068 1.00 0.88 O ATOM 964 CB THR A 72 9.230 -11.611 -2.162 1.00 0.80 C ATOM 965 OG1 THR A 72 8.550 -12.854 -2.386 1.00 1.46 O ATOM 966 CG2 THR A 72 10.733 -11.846 -2.196 1.00 1.12 C ATOM 0 H THR A 72 6.870 -11.055 -1.658 1.00 0.65 H new ATOM 0 HA THR A 72 9.039 -11.694 -0.007 1.00 0.75 H new ATOM 0 HB THR A 72 8.976 -10.899 -2.948 1.00 0.80 H new ATOM 0 HG1 THR A 72 7.608 -12.679 -2.593 1.00 1.46 H new ATOM 0 HG21 THR A 72 11.013 -12.272 -3.159 1.00 1.12 H new ATOM 0 HG22 THR A 72 11.253 -10.899 -2.054 1.00 1.12 H new ATOM 0 HG23 THR A 72 11.012 -12.536 -1.399 1.00 1.12 H new ATOM 974 N LEU A 73 8.996 -8.597 -1.137 1.00 0.65 N ATOM 975 CA LEU A 73 9.648 -7.294 -1.035 1.00 0.73 C ATOM 976 C LEU A 73 9.608 -6.756 0.395 1.00 0.84 C ATOM 977 O LEU A 73 10.613 -6.260 0.902 1.00 0.97 O ATOM 978 CB LEU A 73 8.995 -6.290 -1.990 1.00 0.71 C ATOM 979 CG LEU A 73 9.699 -4.931 -2.094 1.00 0.91 C ATOM 980 CD1 LEU A 73 11.170 -5.120 -2.441 1.00 1.51 C ATOM 981 CD2 LEU A 73 9.017 -4.063 -3.137 1.00 1.47 C ATOM 0 H LEU A 73 8.123 -8.592 -1.665 1.00 0.65 H new ATOM 0 HA LEU A 73 10.692 -7.428 -1.317 1.00 0.73 H new ATOM 0 HB2 LEU A 73 8.951 -6.735 -2.984 1.00 0.71 H new ATOM 0 HB3 LEU A 73 7.967 -6.124 -1.669 1.00 0.71 H new ATOM 0 HG LEU A 73 9.633 -4.431 -1.128 1.00 0.91 H new ATOM 0 HD11 LEU A 73 11.655 -4.147 -2.511 1.00 1.51 H new ATOM 0 HD12 LEU A 73 11.654 -5.712 -1.664 1.00 1.51 H new ATOM 0 HD13 LEU A 73 11.255 -5.637 -3.397 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.527 -3.102 -3.200 1.00 1.47 H new ATOM 0 HD22 LEU A 73 9.057 -4.560 -4.106 1.00 1.47 H new ATOM 0 HD23 LEU A 73 7.977 -3.904 -2.854 1.00 1.47 H new ATOM 991 N LEU A 74 8.438 -6.814 1.022 1.00 0.84 N ATOM 992 CA LEU A 74 8.274 -6.277 2.370 1.00 1.03 C ATOM 993 C LEU A 74 8.812 -7.242 3.422 1.00 1.24 C ATOM 994 O LEU A 74 9.424 -6.823 4.404 1.00 1.47 O ATOM 995 CB LEU A 74 6.806 -5.951 2.668 1.00 1.01 C ATOM 996 CG LEU A 74 6.246 -4.710 1.962 1.00 0.93 C ATOM 997 CD1 LEU A 74 6.011 -4.979 0.489 1.00 1.79 C ATOM 998 CD2 LEU A 74 4.963 -4.251 2.628 1.00 1.14 C ATOM 0 H LEU A 74 7.594 -7.224 0.623 1.00 0.84 H new ATOM 0 HA LEU A 74 8.851 -5.354 2.416 1.00 1.03 H new ATOM 0 HB2 LEU A 74 6.198 -6.811 2.389 1.00 1.01 H new ATOM 0 HB3 LEU A 74 6.693 -5.817 3.744 1.00 1.01 H new ATOM 0 HG LEU A 74 6.986 -3.914 2.046 1.00 0.93 H new ATOM 0 HD11 LEU A 74 5.614 -4.082 0.014 1.00 1.79 H new ATOM 0 HD12 LEU A 74 6.953 -5.254 0.015 1.00 1.79 H new ATOM 0 HD13 LEU A 74 5.297 -5.795 0.378 1.00 1.79 H new ATOM 0 HD21 LEU A 74 4.581 -3.370 2.113 1.00 1.14 H new ATOM 0 HD22 LEU A 74 4.222 -5.049 2.580 1.00 1.14 H new ATOM 0 HD23 LEU A 74 5.163 -4.004 3.671 1.00 1.14 H new ATOM 1008 N GLY A 75 8.550 -8.526 3.232 1.00 1.24 N ATOM 1009 CA GLY A 75 8.971 -9.523 4.199 1.00 1.50 C ATOM 1010 C GLY A 75 7.788 -10.195 4.869 1.00 1.63 C ATOM 1011 O GLY A 75 7.874 -10.640 6.015 1.00 2.22 O ATOM 0 H GLY A 75 8.052 -8.898 2.423 1.00 1.24 H new ATOM 0 HA2 GLY A 75 9.582 -10.276 3.702 1.00 1.50 H new ATOM 0 HA3 GLY A 75 9.598 -9.052 4.956 1.00 1.50 H new ATOM 1015 N ARG A 76 6.704 -10.333 4.120 1.00 1.47 N ATOM 1016 CA ARG A 76 5.516 -11.023 4.599 1.00 1.63 C ATOM 1017 C ARG A 76 5.320 -12.301 3.787 1.00 1.48 C ATOM 1018 O ARG A 76 4.831 -12.259 2.658 1.00 1.41 O ATOM 1019 CB ARG A 76 4.289 -10.106 4.474 1.00 1.84 C ATOM 1020 CG ARG A 76 2.984 -10.708 4.983 1.00 1.98 C ATOM 1021 CD ARG A 76 3.000 -10.933 6.490 1.00 2.35 C ATOM 1022 NE ARG A 76 1.678 -11.312 7.001 1.00 3.01 N ATOM 1023 CZ ARG A 76 0.664 -10.456 7.175 1.00 3.50 C ATOM 1024 NH1 ARG A 76 0.874 -9.144 7.123 1.00 3.60 N ATOM 1025 NH2 ARG A 76 -0.541 -10.916 7.489 1.00 4.36 N ATOM 0 H ARG A 76 6.623 -9.972 3.169 1.00 1.47 H new ATOM 0 HA ARG A 76 5.639 -11.284 5.650 1.00 1.63 H new ATOM 0 HB2 ARG A 76 4.485 -9.184 5.022 1.00 1.84 H new ATOM 0 HB3 ARG A 76 4.162 -9.833 3.426 1.00 1.84 H new ATOM 0 HG2 ARG A 76 2.157 -10.047 4.725 1.00 1.98 H new ATOM 0 HG3 ARG A 76 2.803 -11.657 4.478 1.00 1.98 H new ATOM 0 HD2 ARG A 76 3.721 -11.714 6.733 1.00 2.35 H new ATOM 0 HD3 ARG A 76 3.335 -10.024 6.989 1.00 2.35 H new ATOM 0 HE ARG A 76 1.522 -12.291 7.239 1.00 3.01 H new ATOM 0 HH11 ARG A 76 1.813 -8.784 6.950 1.00 3.60 H new ATOM 0 HH12 ARG A 76 0.097 -8.497 7.256 1.00 3.60 H new ATOM 0 HH21 ARG A 76 -0.692 -11.919 7.597 1.00 4.36 H new ATOM 0 HH22 ARG A 76 -1.316 -10.266 7.622 1.00 4.36 H new ATOM 1033 N PRO A 77 5.757 -13.448 4.330 1.00 1.57 N ATOM 1034 CA PRO A 77 5.706 -14.740 3.631 1.00 1.60 C ATOM 1035 C PRO A 77 4.304 -15.337 3.610 1.00 1.55 C ATOM 1036 O PRO A 77 4.119 -16.534 3.832 1.00 1.73 O ATOM 1037 CB PRO A 77 6.651 -15.616 4.452 1.00 1.89 C ATOM 1038 CG PRO A 77 6.591 -15.047 5.823 1.00 1.91 C ATOM 1039 CD PRO A 77 6.402 -13.568 5.650 1.00 1.81 C ATOM 0 HA PRO A 77 5.986 -14.650 2.582 1.00 1.60 H new ATOM 0 HB2 PRO A 77 6.335 -16.659 4.441 1.00 1.89 H new ATOM 0 HB3 PRO A 77 7.665 -15.586 4.054 1.00 1.89 H new ATOM 0 HG2 PRO A 77 5.768 -15.482 6.390 1.00 1.91 H new ATOM 0 HG3 PRO A 77 7.506 -15.261 6.375 1.00 1.91 H new ATOM 0 HD2 PRO A 77 5.778 -13.149 6.440 1.00 1.81 H new ATOM 0 HD3 PRO A 77 7.353 -13.037 5.680 1.00 1.81 H new ATOM 1041 N HIS A 78 3.325 -14.494 3.343 1.00 1.55 N ATOM 1042 CA HIS A 78 1.933 -14.915 3.290 1.00 1.56 C ATOM 1043 C HIS A 78 1.185 -14.138 2.216 1.00 1.37 C ATOM 1044 O HIS A 78 -0.016 -13.895 2.345 1.00 1.90 O ATOM 1045 CB HIS A 78 1.252 -14.712 4.649 1.00 1.86 C ATOM 1046 CG HIS A 78 1.630 -15.731 5.683 1.00 1.97 C ATOM 1047 ND1 HIS A 78 1.309 -17.067 5.579 1.00 2.84 N ATOM 1048 CD2 HIS A 78 2.305 -15.601 6.850 1.00 1.78 C ATOM 1049 CE1 HIS A 78 1.762 -17.711 6.636 1.00 3.13 C ATOM 1050 NE2 HIS A 78 2.372 -16.846 7.421 1.00 2.47 N ATOM 0 H HIS A 78 3.468 -13.501 3.157 1.00 1.55 H new ATOM 0 HA HIS A 78 1.909 -15.976 3.043 1.00 1.56 H new ATOM 0 HB2 HIS A 78 1.503 -13.720 5.024 1.00 1.86 H new ATOM 0 HB3 HIS A 78 0.171 -14.736 4.509 1.00 1.86 H new ATOM 0 HD2 HIS A 78 2.714 -14.687 7.255 1.00 1.78 H new ATOM 0 HE1 HIS A 78 1.652 -18.768 6.826 1.00 3.13 H new ATOM 0 HE2 HIS A 78 2.821 -17.067 8.310 1.00 2.47 H new ATOM 1057 N THR A 79 1.891 -13.823 1.126 1.00 1.02 N ATOM 1058 CA THR A 79 1.310 -13.140 -0.034 1.00 0.90 C ATOM 1059 C THR A 79 0.480 -11.921 0.373 1.00 0.80 C ATOM 1060 O THR A 79 -0.752 -11.955 0.340 1.00 1.06 O ATOM 1061 CB THR A 79 0.451 -14.102 -0.892 1.00 1.08 C ATOM 1062 OG1 THR A 79 -0.514 -14.784 -0.078 1.00 1.25 O ATOM 1063 CG2 THR A 79 1.331 -15.120 -1.600 1.00 1.21 C ATOM 0 H THR A 79 2.883 -14.035 1.023 1.00 1.02 H new ATOM 0 HA THR A 79 2.149 -12.793 -0.637 1.00 0.90 H new ATOM 0 HB THR A 79 -0.074 -13.506 -1.638 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.675 -14.269 0.740 1.00 1.25 H new ATOM 0 HG21 THR A 79 0.708 -15.786 -2.197 1.00 1.21 H new ATOM 0 HG22 THR A 79 2.036 -14.602 -2.250 1.00 1.21 H new ATOM 0 HG23 THR A 79 1.880 -15.703 -0.861 1.00 1.21 H new ATOM 1071 N VAL A 80 1.154 -10.855 0.784 1.00 0.65 N ATOM 1072 CA VAL A 80 0.459 -9.655 1.228 1.00 0.55 C ATOM 1073 C VAL A 80 -0.237 -8.972 0.050 1.00 0.48 C ATOM 1074 O VAL A 80 0.362 -8.754 -1.004 1.00 0.56 O ATOM 1075 CB VAL A 80 1.420 -8.669 1.940 1.00 0.62 C ATOM 1076 CG1 VAL A 80 2.545 -8.220 1.024 1.00 1.16 C ATOM 1077 CG2 VAL A 80 0.660 -7.469 2.479 1.00 1.24 C ATOM 0 H VAL A 80 2.172 -10.797 0.819 1.00 0.65 H new ATOM 0 HA VAL A 80 -0.296 -9.959 1.953 1.00 0.55 H new ATOM 0 HB VAL A 80 1.869 -9.201 2.778 1.00 0.62 H new ATOM 0 HG11 VAL A 80 3.197 -7.530 1.560 1.00 1.16 H new ATOM 0 HG12 VAL A 80 3.121 -9.088 0.703 1.00 1.16 H new ATOM 0 HG13 VAL A 80 2.126 -7.720 0.151 1.00 1.16 H new ATOM 0 HG21 VAL A 80 1.355 -6.791 2.974 1.00 1.24 H new ATOM 0 HG22 VAL A 80 0.170 -6.949 1.656 1.00 1.24 H new ATOM 0 HG23 VAL A 80 -0.091 -7.805 3.194 1.00 1.24 H new ATOM 1087 N SER A 81 -1.543 -8.801 0.180 1.00 0.42 N ATOM 1088 CA SER A 81 -2.360 -8.296 -0.911 1.00 0.47 C ATOM 1089 C SER A 81 -2.304 -6.772 -0.981 1.00 0.38 C ATOM 1090 O SER A 81 -2.374 -6.185 -2.067 1.00 0.39 O ATOM 1091 CB SER A 81 -3.807 -8.768 -0.739 1.00 0.55 C ATOM 1092 OG SER A 81 -4.618 -8.361 -1.828 1.00 1.18 O ATOM 0 H SER A 81 -2.061 -9.006 1.034 1.00 0.42 H new ATOM 0 HA SER A 81 -1.964 -8.689 -1.847 1.00 0.47 H new ATOM 0 HB2 SER A 81 -3.829 -9.854 -0.654 1.00 0.55 H new ATOM 0 HB3 SER A 81 -4.214 -8.367 0.189 1.00 0.55 H new ATOM 0 HG SER A 81 -5.488 -8.808 -1.773 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.260 -6.132 0.182 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.291 -4.680 0.251 1.00 0.30 C ATOM 1098 C ALA A 82 -1.526 -4.174 1.465 1.00 0.30 C ATOM 1099 O ALA A 82 -1.479 -4.834 2.506 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.730 -4.191 0.289 1.00 0.33 C ATOM 0 H ALA A 82 -2.203 -6.597 1.088 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.805 -4.284 -0.641 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.743 -3.102 0.341 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.249 -4.518 -0.612 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.231 -4.602 1.166 1.00 0.33 H new ATOM 1106 N LEU A 83 -0.918 -3.009 1.325 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.147 -2.417 2.403 1.00 0.31 C ATOM 1108 C LEU A 83 -0.476 -0.935 2.528 1.00 0.28 C ATOM 1109 O LEU A 83 -0.625 -0.234 1.526 1.00 0.30 O ATOM 1110 CB LEU A 83 1.354 -2.618 2.159 1.00 0.37 C ATOM 1111 CG LEU A 83 1.935 -1.849 0.969 1.00 0.44 C ATOM 1112 CD1 LEU A 83 2.688 -0.618 1.444 1.00 0.88 C ATOM 1113 CD2 LEU A 83 2.839 -2.742 0.139 1.00 0.83 C ATOM 0 H LEU A 83 -0.944 -2.452 0.471 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.411 -2.912 3.338 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.894 -2.323 3.059 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.541 -3.681 2.009 1.00 0.37 H new ATOM 0 HG LEU A 83 1.108 -1.523 0.338 1.00 0.44 H new ATOM 0 HD11 LEU A 83 3.093 -0.085 0.584 1.00 0.88 H new ATOM 0 HD12 LEU A 83 2.008 0.037 1.989 1.00 0.88 H new ATOM 0 HD13 LEU A 83 3.504 -0.921 2.100 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.240 -2.174 -0.701 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.660 -3.104 0.758 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.267 -3.590 -0.237 1.00 0.83 H new ATOM 1123 N ALA A 84 -0.619 -0.466 3.753 1.00 0.28 N ATOM 1124 CA ALA A 84 -0.935 0.926 3.989 1.00 0.29 C ATOM 1125 C ALA A 84 0.281 1.677 4.508 1.00 0.30 C ATOM 1126 O ALA A 84 0.713 1.481 5.647 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.101 1.053 4.957 1.00 0.35 C ATOM 0 H ALA A 84 -0.521 -1.029 4.598 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.228 1.374 3.040 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.324 2.107 5.122 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -2.977 0.558 4.538 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -1.839 0.585 5.906 1.00 0.35 H new ATOM 1133 N VAL A 85 0.743 2.624 3.711 1.00 0.35 N ATOM 1134 CA VAL A 85 1.801 3.535 4.113 1.00 0.42 C ATOM 1135 C VAL A 85 1.198 4.677 4.923 1.00 0.41 C ATOM 1136 O VAL A 85 0.883 5.746 4.385 1.00 0.46 O ATOM 1137 CB VAL A 85 2.557 4.110 2.893 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.751 4.941 3.342 1.00 0.69 C ATOM 1139 CG2 VAL A 85 3.002 2.995 1.958 1.00 1.05 C ATOM 0 H VAL A 85 0.395 2.784 2.766 1.00 0.35 H new ATOM 0 HA VAL A 85 2.518 2.977 4.716 1.00 0.42 H new ATOM 0 HB VAL A 85 1.873 4.760 2.347 1.00 0.53 H new ATOM 0 HG11 VAL A 85 4.269 5.336 2.468 1.00 0.69 H new ATOM 0 HG12 VAL A 85 3.406 5.767 3.964 1.00 0.69 H new ATOM 0 HG13 VAL A 85 4.434 4.315 3.916 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.532 3.423 1.107 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.665 2.315 2.493 1.00 1.05 H new ATOM 0 HG23 VAL A 85 2.129 2.447 1.604 1.00 1.05 H new ATOM 1149 N VAL A 86 0.896 4.385 6.178 1.00 0.44 N ATOM 1150 CA VAL A 86 0.240 5.346 7.047 1.00 0.46 C ATOM 1151 C VAL A 86 1.188 6.494 7.360 1.00 0.47 C ATOM 1152 O VAL A 86 0.858 7.661 7.145 1.00 0.54 O ATOM 1153 CB VAL A 86 -0.230 4.689 8.361 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -1.089 5.650 9.169 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.983 3.399 8.073 1.00 0.53 C ATOM 0 H VAL A 86 1.096 3.487 6.618 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.638 5.726 6.524 1.00 0.46 H new ATOM 0 HB VAL A 86 0.650 4.445 8.956 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -1.409 5.165 10.091 1.00 0.53 H new ATOM 0 HG12 VAL A 86 -0.510 6.541 9.410 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.965 5.934 8.586 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -1.307 2.949 9.012 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.854 3.616 7.455 1.00 0.53 H new ATOM 0 HG23 VAL A 86 -0.328 2.705 7.546 1.00 0.53 H new ATOM 1165 N ASP A 87 2.404 6.145 7.759 1.00 0.49 N ATOM 1166 CA ASP A 87 3.434 7.139 8.021 1.00 0.60 C ATOM 1167 C ASP A 87 4.689 6.834 7.216 1.00 0.47 C ATOM 1168 O ASP A 87 5.446 5.928 7.556 1.00 0.62 O ATOM 1169 CB ASP A 87 3.786 7.191 9.512 1.00 0.83 C ATOM 1170 CG ASP A 87 2.710 7.839 10.362 1.00 1.50 C ATOM 1171 OD1 ASP A 87 1.615 7.249 10.489 1.00 2.15 O ATOM 1172 OD2 ASP A 87 2.946 8.937 10.904 1.00 1.94 O ATOM 0 H ASP A 87 2.700 5.180 7.908 1.00 0.49 H new ATOM 0 HA ASP A 87 3.038 8.109 7.720 1.00 0.60 H new ATOM 0 HB2 ASP A 87 3.962 6.177 9.872 1.00 0.83 H new ATOM 0 HB3 ASP A 87 4.719 7.740 9.639 1.00 0.83 H new ATOM 1175 N PRO A 88 4.885 7.539 6.095 1.00 0.45 N ATOM 1176 CA PRO A 88 6.039 7.334 5.215 1.00 0.54 C ATOM 1177 C PRO A 88 7.343 7.824 5.844 1.00 0.93 C ATOM 1178 O PRO A 88 8.402 7.216 5.661 1.00 1.68 O ATOM 1179 CB PRO A 88 5.701 8.159 3.964 1.00 0.69 C ATOM 1180 CG PRO A 88 4.261 8.527 4.102 1.00 0.99 C ATOM 1181 CD PRO A 88 3.984 8.570 5.573 1.00 0.66 C ATOM 0 HA PRO A 88 6.202 6.277 5.006 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.328 9.048 3.900 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.873 7.582 3.056 1.00 0.69 H new ATOM 0 HG2 PRO A 88 4.059 9.493 3.639 1.00 0.99 H new ATOM 0 HG3 PRO A 88 3.622 7.796 3.606 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.199 9.550 5.998 1.00 0.66 H new ATOM 0 HD3 PRO A 88 2.940 8.348 5.796 1.00 0.66 H new ATOM 1183 N GLY A 89 7.267 8.942 6.562 1.00 0.73 N ATOM 1184 CA GLY A 89 8.447 9.510 7.184 1.00 1.09 C ATOM 1185 C GLY A 89 9.410 10.083 6.164 1.00 0.99 C ATOM 1186 O GLY A 89 9.039 10.946 5.365 1.00 1.49 O ATOM 0 H GLY A 89 6.406 9.464 6.723 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.148 10.294 7.880 1.00 1.09 H new ATOM 0 HA3 GLY A 89 8.953 8.742 7.768 1.00 1.09 H new ATOM 1190 N GLU A 90 10.637 9.579 6.167 1.00 0.73 N ATOM 1191 CA GLU A 90 11.653 10.010 5.212 1.00 0.70 C ATOM 1192 C GLU A 90 11.267 9.559 3.805 1.00 0.68 C ATOM 1193 O GLU A 90 11.614 10.199 2.812 1.00 1.07 O ATOM 1194 CB GLU A 90 13.017 9.422 5.597 1.00 0.95 C ATOM 1195 CG GLU A 90 14.198 10.354 5.345 1.00 1.45 C ATOM 1196 CD GLU A 90 14.397 10.698 3.883 1.00 2.32 C ATOM 1197 OE1 GLU A 90 14.605 9.775 3.070 1.00 3.03 O ATOM 1198 OE2 GLU A 90 14.353 11.900 3.541 1.00 2.82 O ATOM 0 H GLU A 90 10.955 8.867 6.824 1.00 0.73 H new ATOM 0 HA GLU A 90 11.720 11.098 5.230 1.00 0.70 H new ATOM 0 HB2 GLU A 90 12.999 9.155 6.654 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.172 8.499 5.038 1.00 0.95 H new ATOM 0 HG2 GLU A 90 14.051 11.275 5.910 1.00 1.45 H new ATOM 0 HG3 GLU A 90 15.106 9.888 5.727 1.00 1.45 H new ATOM 1201 N SER A 91 10.562 8.440 3.735 1.00 0.54 N ATOM 1202 CA SER A 91 10.147 7.866 2.470 1.00 0.53 C ATOM 1203 C SER A 91 9.268 8.825 1.680 1.00 0.49 C ATOM 1204 O SER A 91 8.253 9.315 2.177 1.00 0.57 O ATOM 1205 CB SER A 91 9.395 6.563 2.717 1.00 0.65 C ATOM 1206 OG SER A 91 8.946 5.989 1.505 1.00 1.65 O ATOM 0 H SER A 91 10.264 7.908 4.552 1.00 0.54 H new ATOM 0 HA SER A 91 11.043 7.670 1.881 1.00 0.53 H new ATOM 0 HB2 SER A 91 10.045 5.859 3.236 1.00 0.65 H new ATOM 0 HB3 SER A 91 8.543 6.751 3.370 1.00 0.65 H new ATOM 0 HG SER A 91 9.020 5.013 1.558 1.00 1.65 H new ATOM 1210 N ARG A 92 9.604 8.988 0.413 1.00 0.50 N ATOM 1211 CA ARG A 92 8.786 9.768 -0.495 1.00 0.55 C ATOM 1212 C ARG A 92 8.008 8.834 -1.406 1.00 0.53 C ATOM 1213 O ARG A 92 7.697 9.173 -2.544 1.00 0.68 O ATOM 1214 CB ARG A 92 9.650 10.720 -1.329 1.00 0.72 C ATOM 1215 CG ARG A 92 10.475 11.692 -0.499 1.00 1.39 C ATOM 1216 CD ARG A 92 9.620 12.445 0.504 1.00 2.08 C ATOM 1217 NE ARG A 92 8.559 13.216 -0.141 1.00 2.69 N ATOM 1218 CZ ARG A 92 7.622 13.889 0.523 1.00 3.57 C ATOM 1219 NH1 ARG A 92 7.589 13.861 1.850 1.00 4.00 N ATOM 1220 NH2 ARG A 92 6.709 14.584 -0.143 1.00 4.45 N ATOM 0 H ARG A 92 10.441 8.588 -0.011 1.00 0.50 H new ATOM 0 HA ARG A 92 8.090 10.369 0.090 1.00 0.55 H new ATOM 0 HB2 ARG A 92 10.321 10.132 -1.955 1.00 0.72 H new ATOM 0 HB3 ARG A 92 9.004 11.287 -2.000 1.00 0.72 H new ATOM 0 HG2 ARG A 92 11.258 11.146 0.028 1.00 1.39 H new ATOM 0 HG3 ARG A 92 10.972 12.403 -1.159 1.00 1.39 H new ATOM 0 HD2 ARG A 92 9.177 11.737 1.205 1.00 2.08 H new ATOM 0 HD3 ARG A 92 10.252 13.116 1.086 1.00 2.08 H new ATOM 0 HE ARG A 92 8.535 13.240 -1.160 1.00 2.69 H new ATOM 0 HH11 ARG A 92 8.284 13.322 2.366 1.00 4.00 H new ATOM 0 HH12 ARG A 92 6.869 14.379 2.353 1.00 4.00 H new ATOM 0 HH21 ARG A 92 6.726 14.602 -1.163 1.00 4.45 H new ATOM 0 HH22 ARG A 92 5.990 15.100 0.365 1.00 4.45 H new ATOM 1228 N ILE A 93 7.687 7.652 -0.887 1.00 0.46 N ATOM 1229 CA ILE A 93 6.945 6.652 -1.644 1.00 0.57 C ATOM 1230 C ILE A 93 5.576 7.196 -2.054 1.00 0.61 C ATOM 1231 O ILE A 93 5.018 6.814 -3.084 1.00 0.70 O ATOM 1232 CB ILE A 93 6.778 5.344 -0.831 1.00 0.65 C ATOM 1233 CG1 ILE A 93 6.222 4.229 -1.714 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.886 5.557 0.384 1.00 0.61 C ATOM 1235 CD1 ILE A 93 7.132 3.863 -2.864 1.00 0.97 C ATOM 0 H ILE A 93 7.931 7.364 0.060 1.00 0.46 H new ATOM 0 HA ILE A 93 7.517 6.423 -2.543 1.00 0.57 H new ATOM 0 HB ILE A 93 7.764 5.046 -0.474 1.00 0.65 H new ATOM 0 HG12 ILE A 93 6.048 3.344 -1.102 1.00 0.89 H new ATOM 0 HG13 ILE A 93 5.255 4.538 -2.110 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.789 4.620 0.933 1.00 0.61 H new ATOM 0 HG22 ILE A 93 6.329 6.313 1.032 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.901 5.890 0.058 1.00 0.61 H new ATOM 0 HD11 ILE A 93 6.675 3.065 -3.450 1.00 0.97 H new ATOM 0 HD12 ILE A 93 7.286 4.736 -3.498 1.00 0.97 H new ATOM 0 HD13 ILE A 93 8.092 3.524 -2.475 1.00 0.97 H new ATOM 1245 N LEU A 94 5.085 8.155 -1.277 1.00 0.60 N ATOM 1246 CA LEU A 94 3.817 8.810 -1.556 1.00 0.70 C ATOM 1247 C LEU A 94 3.852 9.606 -2.862 1.00 0.70 C ATOM 1248 O LEU A 94 2.812 9.987 -3.378 1.00 0.78 O ATOM 1249 CB LEU A 94 3.410 9.708 -0.384 1.00 0.85 C ATOM 1250 CG LEU A 94 4.546 10.487 0.282 1.00 0.81 C ATOM 1251 CD1 LEU A 94 5.043 11.612 -0.611 1.00 1.63 C ATOM 1252 CD2 LEU A 94 4.088 11.031 1.623 1.00 1.15 C ATOM 0 H LEU A 94 5.555 8.498 -0.439 1.00 0.60 H new ATOM 0 HA LEU A 94 3.068 8.028 -1.679 1.00 0.70 H new ATOM 0 HB2 LEU A 94 2.665 10.420 -0.738 1.00 0.85 H new ATOM 0 HB3 LEU A 94 2.926 9.090 0.372 1.00 0.85 H new ATOM 0 HG LEU A 94 5.379 9.803 0.444 1.00 0.81 H new ATOM 0 HD11 LEU A 94 5.850 12.146 -0.109 1.00 1.63 H new ATOM 0 HD12 LEU A 94 5.412 11.196 -1.549 1.00 1.63 H new ATOM 0 HD13 LEU A 94 4.225 12.302 -0.817 1.00 1.63 H new ATOM 0 HD21 LEU A 94 4.904 11.584 2.089 1.00 1.15 H new ATOM 0 HD22 LEU A 94 3.237 11.696 1.475 1.00 1.15 H new ATOM 0 HD23 LEU A 94 3.794 10.204 2.270 1.00 1.15 H new ATOM 1262 N ALA A 95 5.045 9.823 -3.411 1.00 0.66 N ATOM 1263 CA ALA A 95 5.177 10.516 -4.686 1.00 0.75 C ATOM 1264 C ALA A 95 4.524 9.705 -5.800 1.00 0.69 C ATOM 1265 O ALA A 95 3.887 10.256 -6.699 1.00 0.78 O ATOM 1266 CB ALA A 95 6.643 10.772 -5.008 1.00 0.86 C ATOM 0 H ALA A 95 5.929 9.530 -2.994 1.00 0.66 H new ATOM 0 HA ALA A 95 4.669 11.477 -4.609 1.00 0.75 H new ATOM 0 HB1 ALA A 95 6.720 11.290 -5.964 1.00 0.86 H new ATOM 0 HB2 ALA A 95 7.086 11.387 -4.225 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.174 9.822 -5.066 1.00 0.86 H new ATOM 1272 N LEU A 96 4.661 8.386 -5.706 1.00 0.65 N ATOM 1273 CA LEU A 96 4.073 7.473 -6.679 1.00 0.75 C ATOM 1274 C LEU A 96 2.561 7.386 -6.499 1.00 0.80 C ATOM 1275 O LEU A 96 1.823 7.134 -7.451 1.00 0.98 O ATOM 1276 CB LEU A 96 4.693 6.079 -6.543 1.00 1.12 C ATOM 1277 CG LEU A 96 6.197 6.007 -6.813 1.00 0.80 C ATOM 1278 CD1 LEU A 96 6.711 4.593 -6.585 1.00 1.50 C ATOM 1279 CD2 LEU A 96 6.506 6.463 -8.231 1.00 1.57 C ATOM 0 H LEU A 96 5.179 7.923 -4.959 1.00 0.65 H new ATOM 0 HA LEU A 96 4.282 7.862 -7.676 1.00 0.75 H new ATOM 0 HB2 LEU A 96 4.503 5.711 -5.535 1.00 1.12 H new ATOM 0 HB3 LEU A 96 4.184 5.403 -7.230 1.00 1.12 H new ATOM 0 HG LEU A 96 6.705 6.675 -6.118 1.00 0.80 H new ATOM 0 HD11 LEU A 96 7.783 4.559 -6.781 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.522 4.299 -5.553 1.00 1.50 H new ATOM 0 HD13 LEU A 96 6.197 3.906 -7.258 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.580 6.405 -8.406 1.00 1.57 H new ATOM 0 HD22 LEU A 96 5.988 5.819 -8.941 1.00 1.57 H new ATOM 0 HD23 LEU A 96 6.172 7.492 -8.363 1.00 1.57 H new ATOM 1289 N GLY A 97 2.110 7.580 -5.269 1.00 0.85 N ATOM 1290 CA GLY A 97 0.695 7.503 -4.969 1.00 1.14 C ATOM 1291 C GLY A 97 0.193 8.760 -4.294 1.00 1.15 C ATOM 1292 O GLY A 97 -0.290 8.717 -3.165 1.00 1.79 O ATOM 0 H GLY A 97 2.704 7.791 -4.467 1.00 0.85 H new ATOM 0 HA2 GLY A 97 0.137 7.338 -5.891 1.00 1.14 H new ATOM 0 HA3 GLY A 97 0.507 6.645 -4.324 1.00 1.14 H new ATOM 1296 N GLY A 98 0.423 9.889 -4.937 1.00 1.39 N ATOM 1297 CA GLY A 98 0.060 11.163 -4.358 1.00 2.09 C ATOM 1298 C GLY A 98 0.434 12.305 -5.270 1.00 2.41 C ATOM 1299 O GLY A 98 0.988 13.316 -4.830 1.00 2.85 O ATOM 0 H GLY A 98 0.858 9.947 -5.858 1.00 1.39 H new ATOM 0 HA2 GLY A 98 -1.013 11.185 -4.165 1.00 2.09 H new ATOM 0 HA3 GLY A 98 0.559 11.284 -3.397 1.00 2.09 H new ATOM 1303 N LYS A 99 0.144 12.131 -6.550 1.00 2.77 N ATOM 1304 CA LYS A 99 0.461 13.121 -7.563 1.00 3.51 C ATOM 1305 C LYS A 99 -0.317 12.811 -8.835 1.00 3.72 C ATOM 1306 O LYS A 99 -0.344 11.666 -9.290 1.00 4.18 O ATOM 1307 CB LYS A 99 1.967 13.122 -7.852 1.00 4.19 C ATOM 1308 CG LYS A 99 2.422 14.225 -8.796 1.00 4.80 C ATOM 1309 CD LYS A 99 2.198 15.604 -8.197 1.00 5.32 C ATOM 1310 CE LYS A 99 2.704 16.705 -9.117 1.00 6.06 C ATOM 1311 NZ LYS A 99 4.174 16.629 -9.331 1.00 6.70 N ATOM 0 H LYS A 99 -0.318 11.298 -6.914 1.00 2.77 H new ATOM 0 HA LYS A 99 0.179 14.109 -7.199 1.00 3.51 H new ATOM 0 HB2 LYS A 99 2.506 13.221 -6.910 1.00 4.19 H new ATOM 0 HB3 LYS A 99 2.244 12.158 -8.278 1.00 4.19 H new ATOM 0 HG2 LYS A 99 3.480 14.095 -9.025 1.00 4.80 H new ATOM 0 HG3 LYS A 99 1.880 14.145 -9.738 1.00 4.80 H new ATOM 0 HD2 LYS A 99 1.135 15.749 -8.006 1.00 5.32 H new ATOM 0 HD3 LYS A 99 2.707 15.670 -7.235 1.00 5.32 H new ATOM 0 HE2 LYS A 99 2.195 16.635 -10.078 1.00 6.06 H new ATOM 0 HE3 LYS A 99 2.450 17.676 -8.692 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 4.509 17.516 -9.759 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 4.651 16.483 -8.418 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 4.392 15.835 -9.966 1.00 6.70 H new ATOM 1317 N GLU A 100 -0.995 13.814 -9.362 1.00 3.94 N ATOM 1318 CA GLU A 100 -1.822 13.651 -10.544 1.00 4.63 C ATOM 1319 C GLU A 100 -2.170 15.030 -11.077 1.00 5.04 C ATOM 1320 O GLU A 100 -2.560 15.146 -12.252 1.00 5.51 O ATOM 1321 CB GLU A 100 -3.091 12.862 -10.195 1.00 5.26 C ATOM 1322 CG GLU A 100 -3.948 12.485 -11.394 1.00 5.92 C ATOM 1323 CD GLU A 100 -3.224 11.604 -12.393 1.00 6.62 C ATOM 1324 OE1 GLU A 100 -2.716 10.537 -11.989 1.00 7.01 O ATOM 1325 OE2 GLU A 100 -3.128 11.988 -13.579 1.00 6.97 O ATOM 1326 OXT GLU A 100 -1.993 16.005 -10.319 1.00 5.28 O ATOM 0 H GLU A 100 -0.988 14.762 -8.984 1.00 3.94 H new ATOM 0 HA GLU A 100 -1.284 13.091 -11.308 1.00 4.63 H new ATOM 0 HB2 GLU A 100 -2.805 11.952 -9.668 1.00 5.26 H new ATOM 0 HB3 GLU A 100 -3.693 13.453 -9.505 1.00 5.26 H new ATOM 0 HG2 GLU A 100 -4.842 11.968 -11.045 1.00 5.92 H new ATOM 0 HG3 GLU A 100 -4.280 13.394 -11.895 1.00 5.92 H new TER 1329 GLU A 100