USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 2 GLN : amide:sc= 0.037 X(o=0.22,f=-0.037) USER MOD Set 1.2: A 12 THR OG1 : rot 14:sc= 0.186 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.0642 (180deg=-0.308) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.638 (180deg=0.213) USER MOD Single : A 8 GLN : amide:sc= 0.363 K(o=0.36,f=-0.55) USER MOD Single : A 11 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 16 THR OG1 : rot 101:sc= 0.0153 USER MOD Single : A 18 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.23) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 23 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.091) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0.287 (180deg=0.256) USER MOD Single : A 27 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.39) USER MOD Single : A 30 SER OG : rot -18:sc= 0.675 USER MOD Single : A 39 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 56 GLN : amide:sc= 0.108 X(o=0.11,f=-0.072) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.404 USER MOD Single : A 63 THR OG1 : rot 108:sc= 0.424 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 156:sc= -0.0983 (180deg=-0.947) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.647 -0.342 -0.019 1.00 0.00 N ATOM 2 CA MET A 1 2.533 -0.231 -1.195 1.00 0.00 C ATOM 3 C MET A 1 3.534 -1.397 -1.210 1.00 0.00 C ATOM 4 O MET A 1 4.620 -1.288 -0.643 1.00 0.00 O ATOM 5 CB MET A 1 3.284 1.129 -1.186 1.00 0.00 C ATOM 6 CG MET A 1 2.396 2.374 -1.293 1.00 0.00 C ATOM 7 SD MET A 1 3.290 3.892 -0.875 1.00 0.00 S ATOM 8 CE MET A 1 4.739 3.784 -1.930 1.00 0.00 C ATOM 0 H1 MET A 1 0.793 0.231 -0.172 1.00 0.00 H new ATOM 0 H2 MET A 1 1.376 -1.337 0.119 1.00 0.00 H new ATOM 0 H3 MET A 1 2.147 0.001 0.826 1.00 0.00 H new ATOM 0 HA MET A 1 1.924 -0.278 -2.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.866 1.197 -0.267 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.993 1.138 -2.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.005 2.453 -2.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.539 2.265 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.279 4.730 -1.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.390 2.985 -1.574 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.429 3.571 -2.953 1.00 0.00 H new ATOM 18 N GLN A 2 3.149 -2.535 -1.805 1.00 0.00 N ATOM 19 CA GLN A 2 4.052 -3.688 -1.929 1.00 0.00 C ATOM 20 C GLN A 2 4.862 -3.553 -3.226 1.00 0.00 C ATOM 21 O GLN A 2 4.283 -3.573 -4.318 1.00 0.00 O ATOM 22 CB GLN A 2 3.274 -5.029 -1.918 1.00 0.00 C ATOM 23 CG GLN A 2 4.193 -6.270 -1.878 1.00 0.00 C ATOM 24 CD GLN A 2 3.476 -7.596 -2.129 1.00 0.00 C ATOM 25 OE1 GLN A 2 2.291 -7.758 -1.829 1.00 0.00 O ATOM 26 NE2 GLN A 2 4.198 -8.558 -2.677 1.00 0.00 N ATOM 0 H GLN A 2 2.223 -2.681 -2.206 1.00 0.00 H new ATOM 0 HA GLN A 2 4.723 -3.697 -1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.611 -5.049 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.643 -5.082 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.979 -6.149 -2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.681 -6.314 -0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.176 -8.390 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.777 -9.468 -2.864 1.00 0.00 H new ATOM 35 N LEU A 3 6.192 -3.414 -3.105 1.00 0.00 N ATOM 36 CA LEU A 3 7.099 -3.257 -4.254 1.00 0.00 C ATOM 37 C LEU A 3 8.293 -4.209 -4.113 1.00 0.00 C ATOM 38 O LEU A 3 8.693 -4.564 -3.000 1.00 0.00 O ATOM 39 CB LEU A 3 7.531 -1.759 -4.442 1.00 0.00 C ATOM 40 CG LEU A 3 8.117 -0.981 -3.198 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.563 -1.405 -2.829 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.042 0.549 -3.425 1.00 0.00 C ATOM 0 H LEU A 3 6.670 -3.407 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 3 6.569 -3.531 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.278 -1.727 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.662 -1.206 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 3 7.491 -1.252 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.902 -0.831 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.580 -2.468 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.225 -1.215 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.450 1.066 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.620 0.814 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.003 0.845 -3.568 1.00 0.00 H new ATOM 54 N PHE A 4 8.831 -4.632 -5.255 1.00 0.00 N ATOM 55 CA PHE A 4 9.936 -5.592 -5.342 1.00 0.00 C ATOM 56 C PHE A 4 11.277 -4.846 -5.305 1.00 0.00 C ATOM 57 O PHE A 4 11.358 -3.669 -5.679 1.00 0.00 O ATOM 58 CB PHE A 4 9.797 -6.445 -6.634 1.00 0.00 C ATOM 59 CG PHE A 4 8.430 -7.136 -6.754 1.00 0.00 C ATOM 60 CD1 PHE A 4 8.211 -8.400 -6.206 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.353 -6.497 -7.384 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.967 -9.007 -6.286 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.114 -7.110 -7.466 1.00 0.00 C ATOM 64 CZ PHE A 4 5.920 -8.361 -6.915 1.00 0.00 C ATOM 0 H PHE A 4 8.506 -4.312 -6.167 1.00 0.00 H new ATOM 0 HA PHE A 4 9.901 -6.268 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.952 -5.806 -7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.582 -7.201 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.023 -8.913 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.491 -5.515 -7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.816 -9.986 -5.856 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.297 -6.608 -7.963 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.951 -8.834 -6.976 1.00 0.00 H new ATOM 74 N VAL A 5 12.317 -5.531 -4.806 1.00 0.00 N ATOM 75 CA VAL A 5 13.670 -4.982 -4.644 1.00 0.00 C ATOM 76 C VAL A 5 14.688 -6.036 -5.133 1.00 0.00 C ATOM 77 O VAL A 5 14.851 -7.099 -4.505 1.00 0.00 O ATOM 78 CB VAL A 5 13.969 -4.578 -3.141 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.378 -3.964 -3.004 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.895 -3.608 -2.575 1.00 0.00 C ATOM 0 H VAL A 5 12.239 -6.500 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 5 13.753 -4.071 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 5 13.929 -5.493 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.558 -3.695 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.124 -4.690 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.448 -3.072 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.139 -3.357 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.875 -2.698 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.917 -4.088 -2.610 1.00 0.00 H new ATOM 90 N ARG A 6 15.330 -5.744 -6.279 1.00 0.00 N ATOM 91 CA ARG A 6 16.319 -6.620 -6.925 1.00 0.00 C ATOM 92 C ARG A 6 17.640 -6.596 -6.135 1.00 0.00 C ATOM 93 O ARG A 6 18.468 -5.706 -6.326 1.00 0.00 O ATOM 94 CB ARG A 6 16.533 -6.187 -8.423 1.00 0.00 C ATOM 95 CG ARG A 6 17.132 -7.265 -9.377 1.00 0.00 C ATOM 96 CD ARG A 6 18.621 -7.596 -9.140 1.00 0.00 C ATOM 97 NE ARG A 6 19.499 -6.430 -9.331 1.00 0.00 N ATOM 98 CZ ARG A 6 20.771 -6.339 -8.892 1.00 0.00 C ATOM 99 NH1 ARG A 6 21.322 -7.310 -8.178 1.00 0.00 N ATOM 100 NH2 ARG A 6 21.487 -5.270 -9.182 1.00 0.00 N ATOM 0 H ARG A 6 15.171 -4.876 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 6 15.947 -7.645 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.572 -5.869 -8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 6 17.189 -5.316 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 6 16.551 -8.182 -9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.011 -6.925 -10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.747 -7.979 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.925 -8.390 -9.821 1.00 0.00 H new ATOM 0 HE ARG A 6 19.116 -5.630 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 6 20.782 -8.145 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 6 22.286 -7.222 -7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.078 -4.517 -9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 6 22.449 -5.196 -8.852 1.00 0.00 H new ATOM 114 N ALA A 7 17.797 -7.572 -5.243 1.00 0.00 N ATOM 115 CA ALA A 7 19.059 -7.864 -4.549 1.00 0.00 C ATOM 116 C ALA A 7 19.580 -9.230 -5.022 1.00 0.00 C ATOM 117 O ALA A 7 19.000 -9.831 -5.941 1.00 0.00 O ATOM 118 CB ALA A 7 18.876 -7.826 -3.018 1.00 0.00 C ATOM 0 H ALA A 7 17.037 -8.197 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 7 19.794 -7.097 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.827 -8.046 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.535 -6.835 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.137 -8.570 -2.721 1.00 0.00 H new ATOM 124 N GLN A 8 20.713 -9.678 -4.438 1.00 0.00 N ATOM 125 CA GLN A 8 21.271 -11.047 -4.634 1.00 0.00 C ATOM 126 C GLN A 8 20.192 -12.167 -4.526 1.00 0.00 C ATOM 127 O GLN A 8 20.353 -13.255 -5.088 1.00 0.00 O ATOM 128 CB GLN A 8 22.445 -11.280 -3.641 1.00 0.00 C ATOM 129 CG GLN A 8 22.098 -11.060 -2.153 1.00 0.00 C ATOM 130 CD GLN A 8 23.305 -11.204 -1.211 1.00 0.00 C ATOM 131 OE1 GLN A 8 24.445 -10.929 -1.588 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.066 -11.623 0.025 1.00 0.00 N ATOM 0 H GLN A 8 21.275 -9.101 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 8 21.650 -11.107 -5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.809 -12.300 -3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.265 -10.614 -3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.670 -10.065 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.330 -11.775 -1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.113 -11.844 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.835 -11.724 0.687 1.00 0.00 H new ATOM 141 N GLU A 9 19.108 -11.877 -3.789 1.00 0.00 N ATOM 142 CA GLU A 9 17.808 -12.573 -3.913 1.00 0.00 C ATOM 143 C GLU A 9 16.694 -11.521 -4.119 1.00 0.00 C ATOM 144 O GLU A 9 16.814 -10.380 -3.655 1.00 0.00 O ATOM 145 CB GLU A 9 17.517 -13.445 -2.663 1.00 0.00 C ATOM 146 CG GLU A 9 17.466 -12.668 -1.327 1.00 0.00 C ATOM 147 CD GLU A 9 17.057 -13.539 -0.129 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.894 -14.319 0.366 1.00 0.00 O ATOM 149 OE2 GLU A 9 15.888 -13.466 0.308 1.00 0.00 O ATOM 0 H GLU A 9 19.105 -11.144 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 9 17.842 -13.242 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.564 -13.955 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.284 -14.216 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.445 -12.232 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.762 -11.841 -1.423 1.00 0.00 H new ATOM 156 N LEU A 10 15.624 -11.896 -4.836 1.00 0.00 N ATOM 157 CA LEU A 10 14.494 -10.994 -5.123 1.00 0.00 C ATOM 158 C LEU A 10 13.602 -10.843 -3.870 1.00 0.00 C ATOM 159 O LEU A 10 12.940 -11.796 -3.437 1.00 0.00 O ATOM 160 CB LEU A 10 13.682 -11.506 -6.360 1.00 0.00 C ATOM 161 CG LEU A 10 14.201 -11.069 -7.777 1.00 0.00 C ATOM 162 CD1 LEU A 10 14.067 -9.542 -7.966 1.00 0.00 C ATOM 163 CD2 LEU A 10 15.651 -11.552 -8.039 1.00 0.00 C ATOM 0 H LEU A 10 15.516 -12.829 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 10 14.880 -10.007 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.662 -12.595 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.652 -11.165 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 10 13.570 -11.555 -8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.433 -9.264 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.020 -9.254 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.654 -9.028 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 10 15.969 -11.228 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 10 16.317 -11.128 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.688 -12.640 -7.984 1.00 0.00 H new ATOM 175 N HIS A 11 13.650 -9.643 -3.268 1.00 0.00 N ATOM 176 CA HIS A 11 12.826 -9.268 -2.106 1.00 0.00 C ATOM 177 C HIS A 11 11.545 -8.556 -2.572 1.00 0.00 C ATOM 178 O HIS A 11 11.459 -8.112 -3.719 1.00 0.00 O ATOM 179 CB HIS A 11 13.617 -8.323 -1.158 1.00 0.00 C ATOM 180 CG HIS A 11 14.889 -8.891 -0.577 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.936 -9.551 0.633 1.00 0.00 N ATOM 182 CD2 HIS A 11 16.164 -8.860 -1.023 1.00 0.00 C ATOM 183 CE1 HIS A 11 16.176 -9.888 0.903 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.941 -9.485 -0.089 1.00 0.00 N ATOM 0 H HIS A 11 14.271 -8.896 -3.579 1.00 0.00 H new ATOM 0 HA HIS A 11 12.564 -10.179 -1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.864 -7.414 -1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.962 -8.032 -0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.506 -8.421 -1.949 1.00 0.00 H new ATOM 0 HE1 HIS A 11 16.511 -10.408 1.789 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.950 -9.618 -0.151 1.00 0.00 H new ATOM 193 N THR A 12 10.552 -8.492 -1.678 1.00 0.00 N ATOM 194 CA THR A 12 9.403 -7.582 -1.806 1.00 0.00 C ATOM 195 C THR A 12 9.059 -7.034 -0.405 1.00 0.00 C ATOM 196 O THR A 12 9.193 -7.750 0.600 1.00 0.00 O ATOM 197 CB THR A 12 8.163 -8.267 -2.492 1.00 0.00 C ATOM 198 OG1 THR A 12 7.182 -7.281 -2.854 1.00 0.00 O ATOM 199 CG2 THR A 12 7.489 -9.338 -1.620 1.00 0.00 C ATOM 0 H THR A 12 10.521 -9.072 -0.840 1.00 0.00 H new ATOM 0 HA THR A 12 9.674 -6.758 -2.466 1.00 0.00 H new ATOM 0 HB THR A 12 8.556 -8.767 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.582 -6.388 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.643 -9.766 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.208 -10.124 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.138 -8.884 -0.693 1.00 0.00 H new ATOM 207 N PHE A 13 8.673 -5.748 -0.342 1.00 0.00 N ATOM 208 CA PHE A 13 8.406 -5.038 0.918 1.00 0.00 C ATOM 209 C PHE A 13 7.096 -4.252 0.814 1.00 0.00 C ATOM 210 O PHE A 13 6.858 -3.538 -0.165 1.00 0.00 O ATOM 211 CB PHE A 13 9.577 -4.080 1.277 1.00 0.00 C ATOM 212 CG PHE A 13 10.871 -4.804 1.662 1.00 0.00 C ATOM 213 CD1 PHE A 13 11.038 -5.328 2.945 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.912 -4.955 0.751 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.197 -5.995 3.294 1.00 0.00 C ATOM 216 CE2 PHE A 13 13.068 -5.622 1.103 1.00 0.00 C ATOM 217 CZ PHE A 13 13.215 -6.132 2.376 1.00 0.00 C ATOM 0 H PHE A 13 8.537 -5.169 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 13 8.315 -5.779 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.775 -3.429 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.270 -3.440 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.251 -5.211 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.814 -4.545 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.305 -6.409 4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.860 -5.745 0.379 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.128 -6.639 2.653 1.00 0.00 H new ATOM 227 N GLU A 14 6.252 -4.417 1.835 1.00 0.00 N ATOM 228 CA GLU A 14 5.007 -3.670 1.986 1.00 0.00 C ATOM 229 C GLU A 14 5.281 -2.418 2.843 1.00 0.00 C ATOM 230 O GLU A 14 5.478 -2.503 4.061 1.00 0.00 O ATOM 231 CB GLU A 14 3.917 -4.611 2.586 1.00 0.00 C ATOM 232 CG GLU A 14 4.339 -5.406 3.848 1.00 0.00 C ATOM 233 CD GLU A 14 3.360 -6.537 4.207 1.00 0.00 C ATOM 234 OE1 GLU A 14 2.374 -6.288 4.936 1.00 0.00 O ATOM 235 OE2 GLU A 14 3.571 -7.679 3.747 1.00 0.00 O ATOM 0 H GLU A 14 6.419 -5.083 2.589 1.00 0.00 H new ATOM 0 HA GLU A 14 4.626 -3.322 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.041 -4.011 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.612 -5.320 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.331 -5.830 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.418 -4.721 4.692 1.00 0.00 H new ATOM 242 N VAL A 15 5.349 -1.258 2.174 1.00 0.00 N ATOM 243 CA VAL A 15 5.678 0.028 2.799 1.00 0.00 C ATOM 244 C VAL A 15 4.446 0.947 2.806 1.00 0.00 C ATOM 245 O VAL A 15 3.473 0.706 2.075 1.00 0.00 O ATOM 246 CB VAL A 15 6.882 0.719 2.050 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.110 -0.224 2.006 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.495 1.199 0.620 1.00 0.00 C ATOM 0 H VAL A 15 5.175 -1.187 1.171 1.00 0.00 H new ATOM 0 HA VAL A 15 5.980 -0.155 3.830 1.00 0.00 H new ATOM 0 HB VAL A 15 7.146 1.610 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.930 0.271 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.419 -0.466 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.846 -1.141 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.358 1.667 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.174 0.345 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.681 1.921 0.686 1.00 0.00 H new ATOM 258 N THR A 16 4.487 1.966 3.669 1.00 0.00 N ATOM 259 CA THR A 16 3.442 2.999 3.769 1.00 0.00 C ATOM 260 C THR A 16 3.723 4.149 2.769 1.00 0.00 C ATOM 261 O THR A 16 2.793 4.794 2.267 1.00 0.00 O ATOM 262 CB THR A 16 3.392 3.575 5.222 1.00 0.00 C ATOM 263 OG1 THR A 16 3.384 2.494 6.173 1.00 0.00 O ATOM 264 CG2 THR A 16 2.165 4.474 5.464 1.00 0.00 C ATOM 0 H THR A 16 5.254 2.102 4.327 1.00 0.00 H new ATOM 0 HA THR A 16 2.482 2.542 3.528 1.00 0.00 H new ATOM 0 HB THR A 16 4.281 4.193 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.283 2.379 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.182 4.845 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.189 5.316 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.254 3.898 5.303 1.00 0.00 H new ATOM 272 N GLY A 17 5.026 4.373 2.479 1.00 0.00 N ATOM 273 CA GLY A 17 5.489 5.508 1.673 1.00 0.00 C ATOM 274 C GLY A 17 6.381 6.459 2.473 1.00 0.00 C ATOM 275 O GLY A 17 7.278 7.096 1.919 1.00 0.00 O ATOM 0 H GLY A 17 5.780 3.767 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.040 5.137 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.627 6.056 1.291 1.00 0.00 H new ATOM 279 N GLN A 18 6.143 6.526 3.790 1.00 0.00 N ATOM 280 CA GLN A 18 6.811 7.494 4.695 1.00 0.00 C ATOM 281 C GLN A 18 8.177 6.978 5.212 1.00 0.00 C ATOM 282 O GLN A 18 8.889 7.708 5.906 1.00 0.00 O ATOM 283 CB GLN A 18 5.865 7.819 5.881 1.00 0.00 C ATOM 284 CG GLN A 18 5.540 6.613 6.792 1.00 0.00 C ATOM 285 CD GLN A 18 4.507 6.916 7.885 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.387 8.047 8.358 1.00 0.00 O ATOM 287 NE2 GLN A 18 3.764 5.903 8.308 1.00 0.00 N ATOM 0 H GLN A 18 5.482 5.913 4.267 1.00 0.00 H new ATOM 0 HA GLN A 18 7.019 8.400 4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.319 8.604 6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.932 8.221 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.171 5.794 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.461 6.268 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.884 4.977 7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.072 6.050 9.043 1.00 0.00 H new ATOM 296 N GLU A 19 8.536 5.730 4.863 1.00 0.00 N ATOM 297 CA GLU A 19 9.839 5.130 5.231 1.00 0.00 C ATOM 298 C GLU A 19 10.919 5.718 4.332 1.00 0.00 C ATOM 299 O GLU A 19 10.650 6.023 3.167 1.00 0.00 O ATOM 300 CB GLU A 19 9.841 3.574 5.077 1.00 0.00 C ATOM 301 CG GLU A 19 8.820 2.806 5.942 1.00 0.00 C ATOM 302 CD GLU A 19 7.345 3.058 5.565 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.041 3.159 4.358 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.486 3.143 6.465 1.00 0.00 O ATOM 0 H GLU A 19 7.937 5.108 4.320 1.00 0.00 H new ATOM 0 HA GLU A 19 10.029 5.358 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.655 3.332 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.839 3.207 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.025 1.738 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.967 3.082 6.986 1.00 0.00 H new ATOM 311 N THR A 20 12.117 5.893 4.872 1.00 0.00 N ATOM 312 CA THR A 20 13.265 6.351 4.097 1.00 0.00 C ATOM 313 C THR A 20 13.923 5.170 3.357 1.00 0.00 C ATOM 314 O THR A 20 13.724 3.999 3.707 1.00 0.00 O ATOM 315 CB THR A 20 14.297 7.075 5.015 1.00 0.00 C ATOM 316 OG1 THR A 20 14.702 6.205 6.086 1.00 0.00 O ATOM 317 CG2 THR A 20 13.724 8.380 5.599 1.00 0.00 C ATOM 0 H THR A 20 12.322 5.722 5.857 1.00 0.00 H new ATOM 0 HA THR A 20 12.914 7.067 3.354 1.00 0.00 H new ATOM 0 HB THR A 20 15.160 7.330 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.351 6.668 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.473 8.855 6.233 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.456 9.055 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.837 8.155 6.192 1.00 0.00 H new ATOM 325 N VAL A 21 14.712 5.494 2.325 1.00 0.00 N ATOM 326 CA VAL A 21 15.494 4.510 1.551 1.00 0.00 C ATOM 327 C VAL A 21 16.500 3.772 2.473 1.00 0.00 C ATOM 328 O VAL A 21 16.804 2.584 2.261 1.00 0.00 O ATOM 329 CB VAL A 21 16.221 5.248 0.365 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.275 4.368 -0.344 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.181 5.814 -0.641 1.00 0.00 C ATOM 0 H VAL A 21 14.830 6.453 1.998 1.00 0.00 H new ATOM 0 HA VAL A 21 14.829 3.754 1.132 1.00 0.00 H new ATOM 0 HB VAL A 21 16.775 6.079 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.739 4.935 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.038 4.066 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.792 3.481 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.700 6.321 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.584 4.997 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.529 6.522 -0.130 1.00 0.00 H new ATOM 341 N ALA A 22 16.962 4.494 3.520 1.00 0.00 N ATOM 342 CA ALA A 22 17.786 3.938 4.606 1.00 0.00 C ATOM 343 C ALA A 22 17.056 2.788 5.320 1.00 0.00 C ATOM 344 O ALA A 22 17.643 1.733 5.529 1.00 0.00 O ATOM 345 CB ALA A 22 18.167 5.032 5.618 1.00 0.00 C ATOM 0 H ALA A 22 16.768 5.489 3.631 1.00 0.00 H new ATOM 0 HA ALA A 22 18.698 3.542 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.776 4.598 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.734 5.814 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.262 5.461 6.048 1.00 0.00 H new ATOM 351 N GLN A 23 15.763 3.000 5.670 1.00 0.00 N ATOM 352 CA GLN A 23 14.936 1.966 6.339 1.00 0.00 C ATOM 353 C GLN A 23 14.727 0.759 5.414 1.00 0.00 C ATOM 354 O GLN A 23 14.783 -0.385 5.863 1.00 0.00 O ATOM 355 CB GLN A 23 13.558 2.529 6.817 1.00 0.00 C ATOM 356 CG GLN A 23 13.657 3.661 7.854 1.00 0.00 C ATOM 357 CD GLN A 23 14.402 3.258 9.132 1.00 0.00 C ATOM 358 OE1 GLN A 23 13.804 2.753 10.081 1.00 0.00 O ATOM 359 NE2 GLN A 23 15.712 3.481 9.168 1.00 0.00 N ATOM 0 H GLN A 23 15.271 3.877 5.500 1.00 0.00 H new ATOM 0 HA GLN A 23 15.482 1.645 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.009 2.895 5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.974 1.713 7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.163 4.514 7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.652 3.990 8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.180 3.901 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.249 3.232 9.999 1.00 0.00 H new ATOM 368 N ILE A 24 14.511 1.031 4.118 1.00 0.00 N ATOM 369 CA ILE A 24 14.279 -0.023 3.099 1.00 0.00 C ATOM 370 C ILE A 24 15.484 -0.988 3.002 1.00 0.00 C ATOM 371 O ILE A 24 15.313 -2.221 3.067 1.00 0.00 O ATOM 372 CB ILE A 24 13.959 0.596 1.678 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.728 1.559 1.761 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.735 -0.506 0.595 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.480 0.936 2.364 1.00 0.00 C ATOM 0 H ILE A 24 14.491 1.979 3.741 1.00 0.00 H new ATOM 0 HA ILE A 24 13.407 -0.591 3.425 1.00 0.00 H new ATOM 0 HB ILE A 24 14.831 1.173 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.005 2.432 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.493 1.915 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.518 -0.035 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.634 -1.116 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.896 -1.138 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.678 1.674 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.173 0.081 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.693 0.606 3.381 1.00 0.00 H new ATOM 387 N LYS A 25 16.708 -0.429 2.886 1.00 0.00 N ATOM 388 CA LYS A 25 17.940 -1.243 2.796 1.00 0.00 C ATOM 389 C LYS A 25 18.303 -1.839 4.175 1.00 0.00 C ATOM 390 O LYS A 25 18.872 -2.921 4.237 1.00 0.00 O ATOM 391 CB LYS A 25 19.127 -0.432 2.201 1.00 0.00 C ATOM 392 CG LYS A 25 19.631 0.729 3.077 1.00 0.00 C ATOM 393 CD LYS A 25 20.779 1.504 2.407 1.00 0.00 C ATOM 394 CE LYS A 25 21.420 2.554 3.322 1.00 0.00 C ATOM 395 NZ LYS A 25 22.580 3.200 2.651 1.00 0.00 N ATOM 0 H LYS A 25 16.869 0.578 2.853 1.00 0.00 H new ATOM 0 HA LYS A 25 17.742 -2.067 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.957 -1.115 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.824 -0.031 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.806 1.411 3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.970 0.338 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.544 0.798 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.401 1.996 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.681 3.310 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.746 2.084 4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.968 3.943 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.314 2.487 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.270 3.623 1.753 1.00 0.00 H new ATOM 409 N ALA A 26 17.937 -1.135 5.273 1.00 0.00 N ATOM 410 CA ALA A 26 18.126 -1.630 6.658 1.00 0.00 C ATOM 411 C ALA A 26 17.281 -2.890 6.911 1.00 0.00 C ATOM 412 O ALA A 26 17.702 -3.784 7.639 1.00 0.00 O ATOM 413 CB ALA A 26 17.793 -0.536 7.684 1.00 0.00 C ATOM 0 H ALA A 26 17.505 -0.213 5.224 1.00 0.00 H new ATOM 0 HA ALA A 26 19.176 -1.896 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.940 -0.925 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.448 0.321 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.755 -0.227 7.562 1.00 0.00 H new ATOM 419 N HIS A 27 16.090 -2.948 6.283 1.00 0.00 N ATOM 420 CA HIS A 27 15.214 -4.137 6.322 1.00 0.00 C ATOM 421 C HIS A 27 15.854 -5.300 5.543 1.00 0.00 C ATOM 422 O HIS A 27 15.924 -6.414 6.057 1.00 0.00 O ATOM 423 CB HIS A 27 13.792 -3.812 5.781 1.00 0.00 C ATOM 424 CG HIS A 27 13.028 -2.824 6.627 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.255 -1.810 6.106 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.929 -2.706 7.973 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.719 -1.113 7.090 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.114 -1.637 8.234 1.00 0.00 N ATOM 0 H HIS A 27 15.709 -2.176 5.736 1.00 0.00 H new ATOM 0 HA HIS A 27 15.102 -4.442 7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.880 -3.417 4.769 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.219 -4.737 5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.406 -3.339 8.706 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.068 -0.259 6.978 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.855 -1.301 9.162 1.00 0.00 H new ATOM 437 N VAL A 28 16.368 -5.010 4.324 1.00 0.00 N ATOM 438 CA VAL A 28 17.132 -6.000 3.509 1.00 0.00 C ATOM 439 C VAL A 28 18.340 -6.548 4.325 1.00 0.00 C ATOM 440 O VAL A 28 18.626 -7.751 4.325 1.00 0.00 O ATOM 441 CB VAL A 28 17.660 -5.369 2.153 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.415 -6.409 1.287 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.519 -4.708 1.342 1.00 0.00 C ATOM 0 H VAL A 28 16.270 -4.098 3.878 1.00 0.00 H new ATOM 0 HA VAL A 28 16.448 -6.812 3.263 1.00 0.00 H new ATOM 0 HB VAL A 28 18.369 -4.588 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.760 -5.935 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.272 -6.791 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.745 -7.233 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.923 -4.288 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.764 -5.456 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.065 -3.913 1.934 1.00 0.00 H new ATOM 453 N ALA A 29 18.978 -5.622 5.062 1.00 0.00 N ATOM 454 CA ALA A 29 20.144 -5.883 5.910 1.00 0.00 C ATOM 455 C ALA A 29 19.805 -6.785 7.111 1.00 0.00 C ATOM 456 O ALA A 29 20.536 -7.724 7.401 1.00 0.00 O ATOM 457 CB ALA A 29 20.753 -4.552 6.387 1.00 0.00 C ATOM 0 H ALA A 29 18.685 -4.645 5.082 1.00 0.00 H new ATOM 0 HA ALA A 29 20.875 -6.422 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.619 -4.753 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.061 -3.963 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.010 -3.996 6.959 1.00 0.00 H new ATOM 463 N SER A 30 18.685 -6.486 7.799 1.00 0.00 N ATOM 464 CA SER A 30 18.248 -7.239 8.987 1.00 0.00 C ATOM 465 C SER A 30 17.776 -8.665 8.614 1.00 0.00 C ATOM 466 O SER A 30 17.855 -9.578 9.440 1.00 0.00 O ATOM 467 CB SER A 30 17.131 -6.457 9.730 1.00 0.00 C ATOM 468 OG SER A 30 15.982 -6.278 8.920 1.00 0.00 O ATOM 0 H SER A 30 18.062 -5.719 7.547 1.00 0.00 H new ATOM 0 HA SER A 30 19.102 -7.349 9.655 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.855 -6.993 10.638 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.513 -5.484 10.038 1.00 0.00 H new ATOM 0 HG SER A 30 16.219 -6.420 7.980 1.00 0.00 H new ATOM 474 N LEU A 31 17.279 -8.842 7.365 1.00 0.00 N ATOM 475 CA LEU A 31 16.829 -10.156 6.861 1.00 0.00 C ATOM 476 C LEU A 31 18.032 -11.051 6.480 1.00 0.00 C ATOM 477 O LEU A 31 18.108 -12.212 6.898 1.00 0.00 O ATOM 478 CB LEU A 31 15.874 -9.986 5.645 1.00 0.00 C ATOM 479 CG LEU A 31 14.542 -9.212 5.910 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.684 -9.139 4.627 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.755 -9.821 7.094 1.00 0.00 C ATOM 0 H LEU A 31 17.181 -8.085 6.688 1.00 0.00 H new ATOM 0 HA LEU A 31 16.281 -10.648 7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.417 -9.470 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.624 -10.977 5.266 1.00 0.00 H new ATOM 0 HG LEU A 31 14.799 -8.192 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.762 -8.596 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.241 -8.622 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.443 -10.148 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.835 -9.257 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.510 -10.860 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.364 -9.776 7.997 1.00 0.00 H new ATOM 493 N GLU A 32 18.984 -10.489 5.707 1.00 0.00 N ATOM 494 CA GLU A 32 20.135 -11.257 5.161 1.00 0.00 C ATOM 495 C GLU A 32 21.367 -11.209 6.088 1.00 0.00 C ATOM 496 O GLU A 32 22.367 -11.886 5.824 1.00 0.00 O ATOM 497 CB GLU A 32 20.503 -10.752 3.740 1.00 0.00 C ATOM 498 CG GLU A 32 19.340 -10.840 2.730 1.00 0.00 C ATOM 499 CD GLU A 32 19.777 -10.645 1.268 1.00 0.00 C ATOM 500 OE1 GLU A 32 19.812 -9.495 0.786 1.00 0.00 O ATOM 501 OE2 GLU A 32 20.068 -11.656 0.592 1.00 0.00 O ATOM 0 H GLU A 32 18.983 -9.504 5.443 1.00 0.00 H new ATOM 0 HA GLU A 32 19.822 -12.299 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.837 -9.716 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.344 -11.334 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.857 -11.812 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.594 -10.086 2.981 1.00 0.00 H new ATOM 508 N GLY A 33 21.288 -10.418 7.167 1.00 0.00 N ATOM 509 CA GLY A 33 22.388 -10.294 8.137 1.00 0.00 C ATOM 510 C GLY A 33 23.541 -9.409 7.656 1.00 0.00 C ATOM 511 O GLY A 33 24.578 -9.322 8.325 1.00 0.00 O ATOM 0 H GLY A 33 20.470 -9.851 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.994 -9.887 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.775 -11.288 8.362 1.00 0.00 H new ATOM 515 N ILE A 34 23.362 -8.762 6.486 1.00 0.00 N ATOM 516 CA ILE A 34 24.367 -7.847 5.901 1.00 0.00 C ATOM 517 C ILE A 34 24.262 -6.449 6.551 1.00 0.00 C ATOM 518 O ILE A 34 23.315 -6.171 7.296 1.00 0.00 O ATOM 519 CB ILE A 34 24.213 -7.750 4.324 1.00 0.00 C ATOM 520 CG1 ILE A 34 22.779 -7.272 3.912 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.558 -9.104 3.651 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.497 -7.214 2.412 1.00 0.00 C ATOM 0 H ILE A 34 22.519 -8.858 5.920 1.00 0.00 H new ATOM 0 HA ILE A 34 25.356 -8.254 6.109 1.00 0.00 H new ATOM 0 HB ILE A 34 24.922 -7.001 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.049 -7.938 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.614 -6.279 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.445 -9.013 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.587 -9.376 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.885 -9.877 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.476 -6.870 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.194 -6.523 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.620 -8.207 1.980 1.00 0.00 H new ATOM 534 N ALA A 35 25.253 -5.588 6.283 1.00 0.00 N ATOM 535 CA ALA A 35 25.320 -4.224 6.836 1.00 0.00 C ATOM 536 C ALA A 35 24.459 -3.263 5.980 1.00 0.00 C ATOM 537 O ALA A 35 24.517 -3.339 4.759 1.00 0.00 O ATOM 538 CB ALA A 35 26.795 -3.766 6.879 1.00 0.00 C ATOM 0 H ALA A 35 26.037 -5.818 5.672 1.00 0.00 H new ATOM 0 HA ALA A 35 24.922 -4.214 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.851 -2.757 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.369 -4.445 7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.208 -3.772 5.870 1.00 0.00 H new ATOM 544 N PRO A 36 23.644 -2.341 6.597 1.00 0.00 N ATOM 545 CA PRO A 36 22.878 -1.318 5.835 1.00 0.00 C ATOM 546 C PRO A 36 23.815 -0.259 5.191 1.00 0.00 C ATOM 547 O PRO A 36 23.464 0.385 4.206 1.00 0.00 O ATOM 548 CB PRO A 36 21.940 -0.699 6.904 1.00 0.00 C ATOM 549 CG PRO A 36 22.658 -0.915 8.201 1.00 0.00 C ATOM 550 CD PRO A 36 23.389 -2.236 8.059 1.00 0.00 C ATOM 0 HA PRO A 36 22.329 -1.739 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.769 0.361 6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.964 -1.184 6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.356 -0.102 8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.957 -0.945 9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.318 -2.243 8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.786 -3.069 8.421 1.00 0.00 H new ATOM 558 N GLU A 37 25.021 -0.122 5.764 1.00 0.00 N ATOM 559 CA GLU A 37 26.074 0.782 5.263 1.00 0.00 C ATOM 560 C GLU A 37 26.838 0.161 4.066 1.00 0.00 C ATOM 561 O GLU A 37 27.624 0.846 3.422 1.00 0.00 O ATOM 562 CB GLU A 37 27.048 1.104 6.426 1.00 0.00 C ATOM 563 CG GLU A 37 27.692 -0.145 7.057 1.00 0.00 C ATOM 564 CD GLU A 37 28.602 0.171 8.247 1.00 0.00 C ATOM 565 OE1 GLU A 37 28.079 0.327 9.377 1.00 0.00 O ATOM 566 OE2 GLU A 37 29.833 0.268 8.060 1.00 0.00 O ATOM 0 H GLU A 37 25.298 -0.641 6.598 1.00 0.00 H new ATOM 0 HA GLU A 37 25.610 1.700 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.836 1.761 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.509 1.654 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.905 -0.825 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.271 -0.669 6.296 1.00 0.00 H new ATOM 573 N ASP A 38 26.591 -1.132 3.773 1.00 0.00 N ATOM 574 CA ASP A 38 27.293 -1.868 2.696 1.00 0.00 C ATOM 575 C ASP A 38 26.780 -1.470 1.294 1.00 0.00 C ATOM 576 O ASP A 38 27.528 -1.513 0.309 1.00 0.00 O ATOM 577 CB ASP A 38 27.129 -3.400 2.917 1.00 0.00 C ATOM 578 CG ASP A 38 27.813 -4.259 1.834 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.051 -4.418 1.894 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.121 -4.761 0.919 1.00 0.00 O ATOM 0 H ASP A 38 25.903 -1.695 4.273 1.00 0.00 H new ATOM 0 HA ASP A 38 28.349 -1.602 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.541 -3.664 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.067 -3.643 2.944 1.00 0.00 H new ATOM 585 N GLN A 39 25.505 -1.067 1.217 1.00 0.00 N ATOM 586 CA GLN A 39 24.812 -0.850 -0.066 1.00 0.00 C ATOM 587 C GLN A 39 23.829 0.326 0.021 1.00 0.00 C ATOM 588 O GLN A 39 23.709 0.984 1.062 1.00 0.00 O ATOM 589 CB GLN A 39 24.089 -2.163 -0.514 1.00 0.00 C ATOM 590 CG GLN A 39 22.866 -2.615 0.332 1.00 0.00 C ATOM 591 CD GLN A 39 23.180 -2.907 1.795 1.00 0.00 C ATOM 592 OE1 GLN A 39 23.024 -2.046 2.654 1.00 0.00 O ATOM 593 NE2 GLN A 39 23.653 -4.108 2.079 1.00 0.00 N ATOM 0 H GLN A 39 24.925 -0.882 2.035 1.00 0.00 H new ATOM 0 HA GLN A 39 25.556 -0.591 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 39 23.760 -2.034 -1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 39 24.821 -2.971 -0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 39 22.102 -1.839 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 39 22.439 -3.510 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 39 23.769 -4.799 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 39 23.902 -4.344 3.040 1.00 0.00 H new ATOM 602 N VAL A 40 23.162 0.586 -1.109 1.00 0.00 N ATOM 603 CA VAL A 40 22.149 1.635 -1.262 1.00 0.00 C ATOM 604 C VAL A 40 21.071 1.123 -2.242 1.00 0.00 C ATOM 605 O VAL A 40 21.363 0.289 -3.126 1.00 0.00 O ATOM 606 CB VAL A 40 22.805 2.982 -1.774 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.476 2.797 -3.160 1.00 0.00 C ATOM 608 CG2 VAL A 40 21.790 4.162 -1.779 1.00 0.00 C ATOM 0 H VAL A 40 23.317 0.057 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 40 21.690 1.856 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 40 23.589 3.244 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.916 3.742 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.256 2.039 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 40 22.728 2.480 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 40 22.284 5.065 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.954 3.920 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 40 21.420 4.328 -0.767 1.00 0.00 H new ATOM 618 N VAL A 41 19.823 1.587 -2.061 1.00 0.00 N ATOM 619 CA VAL A 41 18.711 1.250 -2.964 1.00 0.00 C ATOM 620 C VAL A 41 18.681 2.242 -4.149 1.00 0.00 C ATOM 621 O VAL A 41 18.895 3.447 -3.984 1.00 0.00 O ATOM 622 CB VAL A 41 17.319 1.227 -2.221 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.169 0.791 -3.158 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.366 0.328 -0.963 1.00 0.00 C ATOM 0 H VAL A 41 19.558 2.201 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 41 18.883 0.241 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 41 17.116 2.250 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.230 0.789 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.097 1.487 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.369 -0.211 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.392 0.334 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.620 -0.691 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.120 0.707 -0.273 1.00 0.00 H new ATOM 634 N LEU A 42 18.443 1.692 -5.345 1.00 0.00 N ATOM 635 CA LEU A 42 18.379 2.434 -6.608 1.00 0.00 C ATOM 636 C LEU A 42 16.942 2.295 -7.146 1.00 0.00 C ATOM 637 O LEU A 42 16.356 1.222 -7.028 1.00 0.00 O ATOM 638 CB LEU A 42 19.386 1.853 -7.675 1.00 0.00 C ATOM 639 CG LEU A 42 20.876 1.570 -7.256 1.00 0.00 C ATOM 640 CD1 LEU A 42 21.545 2.778 -6.589 1.00 0.00 C ATOM 641 CD2 LEU A 42 20.990 0.308 -6.383 1.00 0.00 C ATOM 0 H LEU A 42 18.285 0.691 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 42 18.650 3.475 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 42 18.967 0.917 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.409 2.547 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 42 21.424 1.385 -8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.571 2.524 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.548 3.620 -7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 42 20.992 3.049 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.034 0.145 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.397 0.437 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.620 -0.554 -6.939 1.00 0.00 H new ATOM 653 N LEU A 43 16.369 3.361 -7.714 1.00 0.00 N ATOM 654 CA LEU A 43 15.098 3.263 -8.454 1.00 0.00 C ATOM 655 C LEU A 43 15.426 2.883 -9.908 1.00 0.00 C ATOM 656 O LEU A 43 15.774 3.752 -10.710 1.00 0.00 O ATOM 657 CB LEU A 43 14.341 4.619 -8.397 1.00 0.00 C ATOM 658 CG LEU A 43 12.967 4.674 -9.132 1.00 0.00 C ATOM 659 CD1 LEU A 43 11.955 3.664 -8.536 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.407 6.114 -9.138 1.00 0.00 C ATOM 0 H LEU A 43 16.761 4.302 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 43 14.454 2.505 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.180 4.877 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.986 5.389 -8.820 1.00 0.00 H new ATOM 0 HG LEU A 43 13.131 4.377 -10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.011 3.734 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.352 2.653 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.789 3.893 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.448 6.129 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.271 6.456 -8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.107 6.774 -9.650 1.00 0.00 H new ATOM 672 N ALA A 44 15.353 1.570 -10.207 1.00 0.00 N ATOM 673 CA ALA A 44 15.675 1.006 -11.544 1.00 0.00 C ATOM 674 C ALA A 44 17.105 1.395 -12.032 1.00 0.00 C ATOM 675 O ALA A 44 17.362 1.452 -13.236 1.00 0.00 O ATOM 676 CB ALA A 44 14.592 1.415 -12.568 1.00 0.00 C ATOM 0 H ALA A 44 15.068 0.864 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 44 15.676 -0.080 -11.452 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.838 0.997 -13.544 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.623 1.035 -12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.551 2.502 -12.639 1.00 0.00 H new ATOM 682 N GLY A 45 18.030 1.611 -11.075 1.00 0.00 N ATOM 683 CA GLY A 45 19.412 2.027 -11.373 1.00 0.00 C ATOM 684 C GLY A 45 19.723 3.482 -10.990 1.00 0.00 C ATOM 685 O GLY A 45 20.889 3.857 -10.940 1.00 0.00 O ATOM 0 H GLY A 45 17.840 1.502 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.101 1.368 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.599 1.895 -12.439 1.00 0.00 H new ATOM 689 N ALA A 46 18.684 4.296 -10.711 1.00 0.00 N ATOM 690 CA ALA A 46 18.847 5.709 -10.287 1.00 0.00 C ATOM 691 C ALA A 46 19.136 5.793 -8.764 1.00 0.00 C ATOM 692 O ALA A 46 18.246 5.492 -7.969 1.00 0.00 O ATOM 693 CB ALA A 46 17.591 6.526 -10.647 1.00 0.00 C ATOM 0 H ALA A 46 17.711 3.997 -10.772 1.00 0.00 H new ATOM 0 HA ALA A 46 19.699 6.133 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.726 7.560 -10.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.433 6.495 -11.725 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.724 6.102 -10.141 1.00 0.00 H new ATOM 699 N PRO A 47 20.384 6.190 -8.333 1.00 0.00 N ATOM 700 CA PRO A 47 20.791 6.225 -6.896 1.00 0.00 C ATOM 701 C PRO A 47 19.874 7.093 -6.001 1.00 0.00 C ATOM 702 O PRO A 47 19.882 8.326 -6.088 1.00 0.00 O ATOM 703 CB PRO A 47 22.243 6.783 -6.943 1.00 0.00 C ATOM 704 CG PRO A 47 22.717 6.468 -8.326 1.00 0.00 C ATOM 705 CD PRO A 47 21.502 6.637 -9.208 1.00 0.00 C ATOM 0 HA PRO A 47 20.716 5.238 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.263 7.856 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.874 6.312 -6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.521 7.139 -8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.110 5.453 -8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.376 7.672 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.573 6.032 -10.112 1.00 0.00 H new ATOM 713 N LEU A 48 19.061 6.419 -5.169 1.00 0.00 N ATOM 714 CA LEU A 48 18.132 7.074 -4.234 1.00 0.00 C ATOM 715 C LEU A 48 18.870 7.540 -2.972 1.00 0.00 C ATOM 716 O LEU A 48 19.744 6.828 -2.456 1.00 0.00 O ATOM 717 CB LEU A 48 16.983 6.108 -3.842 1.00 0.00 C ATOM 718 CG LEU A 48 16.038 5.661 -4.995 1.00 0.00 C ATOM 719 CD1 LEU A 48 15.012 4.614 -4.493 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.331 6.882 -5.644 1.00 0.00 C ATOM 0 H LEU A 48 19.030 5.400 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 48 17.709 7.944 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.422 5.217 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.380 6.588 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 48 16.646 5.187 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.363 4.317 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.541 3.739 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.410 5.048 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.677 6.540 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.739 7.403 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.079 7.562 -6.051 1.00 0.00 H new ATOM 732 N GLU A 49 18.505 8.738 -2.492 1.00 0.00 N ATOM 733 CA GLU A 49 19.025 9.289 -1.238 1.00 0.00 C ATOM 734 C GLU A 49 18.433 8.521 -0.053 1.00 0.00 C ATOM 735 O GLU A 49 17.218 8.335 0.016 1.00 0.00 O ATOM 736 CB GLU A 49 18.700 10.804 -1.132 1.00 0.00 C ATOM 737 CG GLU A 49 19.309 11.663 -2.257 1.00 0.00 C ATOM 738 CD GLU A 49 20.846 11.590 -2.311 1.00 0.00 C ATOM 739 OE1 GLU A 49 21.503 12.199 -1.447 1.00 0.00 O ATOM 740 OE2 GLU A 49 21.401 10.923 -3.207 1.00 0.00 O ATOM 0 H GLU A 49 17.840 9.350 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 49 20.109 9.177 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.618 10.933 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.060 11.175 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.902 11.338 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.006 12.701 -2.118 1.00 0.00 H new ATOM 747 N ASP A 50 19.301 8.081 0.866 1.00 0.00 N ATOM 748 CA ASP A 50 18.895 7.297 2.045 1.00 0.00 C ATOM 749 C ASP A 50 17.951 8.081 2.966 1.00 0.00 C ATOM 750 O ASP A 50 17.135 7.495 3.668 1.00 0.00 O ATOM 751 CB ASP A 50 20.140 6.830 2.822 1.00 0.00 C ATOM 752 CG ASP A 50 21.051 5.922 1.984 1.00 0.00 C ATOM 753 OD1 ASP A 50 20.534 5.004 1.307 1.00 0.00 O ATOM 754 OD2 ASP A 50 22.286 6.097 2.018 1.00 0.00 O ATOM 0 H ASP A 50 20.304 8.257 0.816 1.00 0.00 H new ATOM 0 HA ASP A 50 18.344 6.427 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.706 7.701 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.825 6.296 3.718 1.00 0.00 H new ATOM 759 N GLU A 51 18.080 9.412 2.937 1.00 0.00 N ATOM 760 CA GLU A 51 17.251 10.331 3.738 1.00 0.00 C ATOM 761 C GLU A 51 15.865 10.561 3.089 1.00 0.00 C ATOM 762 O GLU A 51 14.918 10.961 3.771 1.00 0.00 O ATOM 763 CB GLU A 51 18.004 11.675 3.920 1.00 0.00 C ATOM 764 CG GLU A 51 18.425 12.353 2.600 1.00 0.00 C ATOM 765 CD GLU A 51 19.056 13.739 2.795 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.305 14.741 2.849 1.00 0.00 O ATOM 767 OE2 GLU A 51 20.301 13.838 2.888 1.00 0.00 O ATOM 0 H GLU A 51 18.767 9.889 2.354 1.00 0.00 H new ATOM 0 HA GLU A 51 17.075 9.879 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.368 12.361 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.894 11.500 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.135 11.709 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.551 12.448 1.955 1.00 0.00 H new ATOM 774 N ALA A 52 15.767 10.302 1.773 1.00 0.00 N ATOM 775 CA ALA A 52 14.524 10.485 0.996 1.00 0.00 C ATOM 776 C ALA A 52 13.546 9.328 1.263 1.00 0.00 C ATOM 777 O ALA A 52 13.963 8.173 1.358 1.00 0.00 O ATOM 778 CB ALA A 52 14.842 10.589 -0.509 1.00 0.00 C ATOM 0 H ALA A 52 16.549 9.959 1.215 1.00 0.00 H new ATOM 0 HA ALA A 52 14.051 11.414 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.916 10.724 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.499 11.441 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.336 9.676 -0.840 1.00 0.00 H new ATOM 784 N THR A 53 12.252 9.653 1.408 1.00 0.00 N ATOM 785 CA THR A 53 11.189 8.651 1.606 1.00 0.00 C ATOM 786 C THR A 53 10.649 8.156 0.246 1.00 0.00 C ATOM 787 O THR A 53 10.939 8.771 -0.786 1.00 0.00 O ATOM 788 CB THR A 53 10.026 9.251 2.463 1.00 0.00 C ATOM 789 OG1 THR A 53 9.384 10.317 1.748 1.00 0.00 O ATOM 790 CG2 THR A 53 10.527 9.786 3.820 1.00 0.00 C ATOM 0 H THR A 53 11.912 10.615 1.392 1.00 0.00 H new ATOM 0 HA THR A 53 11.614 7.801 2.140 1.00 0.00 H new ATOM 0 HB THR A 53 9.317 8.445 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.657 10.684 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.687 10.194 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.983 8.973 4.386 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.266 10.570 3.652 1.00 0.00 H new ATOM 798 N LEU A 54 9.844 7.063 0.250 1.00 0.00 N ATOM 799 CA LEU A 54 9.176 6.558 -0.981 1.00 0.00 C ATOM 800 C LEU A 54 8.203 7.636 -1.528 1.00 0.00 C ATOM 801 O LEU A 54 8.040 7.783 -2.740 1.00 0.00 O ATOM 802 CB LEU A 54 8.380 5.229 -0.741 1.00 0.00 C ATOM 803 CG LEU A 54 9.170 3.950 -0.295 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.470 3.755 -1.103 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.422 3.927 1.222 1.00 0.00 C ATOM 0 H LEU A 54 9.641 6.516 1.087 1.00 0.00 H new ATOM 0 HA LEU A 54 9.965 6.344 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.621 5.430 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.853 4.987 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 54 8.533 3.095 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.982 2.857 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.229 3.651 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.119 4.619 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.972 3.024 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.005 4.803 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.468 3.938 1.749 1.00 0.00 H new ATOM 817 N GLY A 55 7.597 8.398 -0.590 1.00 0.00 N ATOM 818 CA GLY A 55 6.626 9.451 -0.903 1.00 0.00 C ATOM 819 C GLY A 55 7.280 10.720 -1.445 1.00 0.00 C ATOM 820 O GLY A 55 6.680 11.445 -2.246 1.00 0.00 O ATOM 0 H GLY A 55 7.774 8.293 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.913 9.074 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.060 9.695 -0.004 1.00 0.00 H new ATOM 824 N GLN A 56 8.522 10.989 -0.995 1.00 0.00 N ATOM 825 CA GLN A 56 9.329 12.126 -1.488 1.00 0.00 C ATOM 826 C GLN A 56 9.891 11.783 -2.879 1.00 0.00 C ATOM 827 O GLN A 56 9.994 12.650 -3.751 1.00 0.00 O ATOM 828 CB GLN A 56 10.483 12.482 -0.499 1.00 0.00 C ATOM 829 CG GLN A 56 11.309 13.738 -0.880 1.00 0.00 C ATOM 830 CD GLN A 56 10.462 15.019 -1.004 1.00 0.00 C ATOM 831 OE1 GLN A 56 10.268 15.750 -0.033 1.00 0.00 O ATOM 832 NE2 GLN A 56 9.959 15.297 -2.198 1.00 0.00 N ATOM 0 H GLN A 56 8.993 10.429 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 56 8.687 13.004 -1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.057 12.633 0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.158 11.629 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.083 13.895 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.817 13.555 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.137 14.672 -2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.394 16.136 -2.331 1.00 0.00 H new ATOM 841 N CYS A 57 10.253 10.500 -3.070 1.00 0.00 N ATOM 842 CA CYS A 57 10.684 9.970 -4.373 1.00 0.00 C ATOM 843 C CYS A 57 9.500 9.960 -5.366 1.00 0.00 C ATOM 844 O CYS A 57 9.665 10.251 -6.553 1.00 0.00 O ATOM 845 CB CYS A 57 11.259 8.544 -4.191 1.00 0.00 C ATOM 846 SG CYS A 57 11.838 7.759 -5.713 1.00 0.00 S ATOM 0 H CYS A 57 10.254 9.804 -2.324 1.00 0.00 H new ATOM 0 HA CYS A 57 11.464 10.613 -4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.088 8.589 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.492 7.913 -3.743 1.00 0.00 H new ATOM 0 HG CYS A 57 12.299 6.574 -5.442 1.00 0.00 H new ATOM 852 N GLY A 58 8.301 9.679 -4.830 1.00 0.00 N ATOM 853 CA GLY A 58 7.070 9.578 -5.621 1.00 0.00 C ATOM 854 C GLY A 58 6.868 8.203 -6.247 1.00 0.00 C ATOM 855 O GLY A 58 6.077 8.061 -7.189 1.00 0.00 O ATOM 0 H GLY A 58 8.161 9.516 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.216 9.808 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.090 10.330 -6.410 1.00 0.00 H new ATOM 859 N VAL A 59 7.577 7.187 -5.713 1.00 0.00 N ATOM 860 CA VAL A 59 7.513 5.806 -6.225 1.00 0.00 C ATOM 861 C VAL A 59 6.284 5.082 -5.640 1.00 0.00 C ATOM 862 O VAL A 59 5.983 5.213 -4.450 1.00 0.00 O ATOM 863 CB VAL A 59 8.846 5.006 -5.933 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.209 4.981 -4.430 1.00 0.00 C ATOM 865 CG2 VAL A 59 8.785 3.568 -6.510 1.00 0.00 C ATOM 0 H VAL A 59 8.207 7.302 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 59 7.407 5.852 -7.309 1.00 0.00 H new ATOM 0 HB VAL A 59 9.643 5.545 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.132 4.419 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.347 6.001 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.404 4.505 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.718 3.048 -6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.953 3.029 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.641 3.615 -7.589 1.00 0.00 H new ATOM 875 N GLU A 60 5.560 4.351 -6.504 1.00 0.00 N ATOM 876 CA GLU A 60 4.312 3.657 -6.140 1.00 0.00 C ATOM 877 C GLU A 60 4.556 2.163 -5.814 1.00 0.00 C ATOM 878 O GLU A 60 5.702 1.718 -5.664 1.00 0.00 O ATOM 879 CB GLU A 60 3.302 3.784 -7.310 1.00 0.00 C ATOM 880 CG GLU A 60 2.825 5.216 -7.629 1.00 0.00 C ATOM 881 CD GLU A 60 1.719 5.234 -8.700 1.00 0.00 C ATOM 882 OE1 GLU A 60 0.644 4.640 -8.451 1.00 0.00 O ATOM 883 OE2 GLU A 60 1.916 5.811 -9.792 1.00 0.00 O ATOM 0 H GLU A 60 5.825 4.224 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 60 3.911 4.125 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.758 3.364 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.429 3.173 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.454 5.685 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.671 5.811 -7.972 1.00 0.00 H new ATOM 890 N ALA A 61 3.447 1.404 -5.692 1.00 0.00 N ATOM 891 CA ALA A 61 3.477 -0.055 -5.524 1.00 0.00 C ATOM 892 C ALA A 61 3.707 -0.764 -6.873 1.00 0.00 C ATOM 893 O ALA A 61 3.665 -0.131 -7.938 1.00 0.00 O ATOM 894 CB ALA A 61 2.162 -0.525 -4.889 1.00 0.00 C ATOM 0 H ALA A 61 2.504 1.792 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 61 4.308 -0.314 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.185 -1.608 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.038 -0.050 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.328 -0.251 -5.535 1.00 0.00 H new ATOM 900 N LEU A 62 3.960 -2.086 -6.791 1.00 0.00 N ATOM 901 CA LEU A 62 4.228 -2.985 -7.949 1.00 0.00 C ATOM 902 C LEU A 62 5.448 -2.531 -8.787 1.00 0.00 C ATOM 903 O LEU A 62 5.618 -2.965 -9.929 1.00 0.00 O ATOM 904 CB LEU A 62 2.950 -3.188 -8.849 1.00 0.00 C ATOM 905 CG LEU A 62 1.796 -4.091 -8.274 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.321 -5.496 -7.893 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.059 -3.416 -7.093 1.00 0.00 C ATOM 0 H LEU A 62 3.986 -2.578 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 62 4.484 -3.956 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.532 -2.205 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.271 -3.616 -9.799 1.00 0.00 H new ATOM 0 HG LEU A 62 1.061 -4.217 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.501 -6.096 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.734 -5.982 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.098 -5.401 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.272 -4.077 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.767 -3.218 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.619 -2.477 -7.428 1.00 0.00 H new ATOM 919 N THR A 63 6.309 -1.687 -8.199 1.00 0.00 N ATOM 920 CA THR A 63 7.559 -1.229 -8.832 1.00 0.00 C ATOM 921 C THR A 63 8.694 -2.205 -8.460 1.00 0.00 C ATOM 922 O THR A 63 8.548 -2.977 -7.516 1.00 0.00 O ATOM 923 CB THR A 63 7.898 0.231 -8.365 1.00 0.00 C ATOM 924 OG1 THR A 63 6.710 1.035 -8.429 1.00 0.00 O ATOM 925 CG2 THR A 63 8.991 0.905 -9.227 1.00 0.00 C ATOM 0 H THR A 63 6.159 -1.300 -7.267 1.00 0.00 H new ATOM 0 HA THR A 63 7.443 -1.214 -9.916 1.00 0.00 H new ATOM 0 HB THR A 63 8.279 0.157 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.395 1.227 -7.521 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.180 1.911 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.909 0.320 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.656 0.959 -10.263 1.00 0.00 H new ATOM 933 N THR A 64 9.799 -2.195 -9.220 1.00 0.00 N ATOM 934 CA THR A 64 11.005 -2.979 -8.892 1.00 0.00 C ATOM 935 C THR A 64 12.203 -2.029 -8.758 1.00 0.00 C ATOM 936 O THR A 64 12.704 -1.477 -9.745 1.00 0.00 O ATOM 937 CB THR A 64 11.299 -4.106 -9.943 1.00 0.00 C ATOM 938 OG1 THR A 64 10.140 -4.948 -10.065 1.00 0.00 O ATOM 939 CG2 THR A 64 12.522 -4.970 -9.547 1.00 0.00 C ATOM 0 H THR A 64 9.885 -1.647 -10.076 1.00 0.00 H new ATOM 0 HA THR A 64 10.828 -3.488 -7.944 1.00 0.00 H new ATOM 0 HB THR A 64 11.530 -3.625 -10.894 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.316 -5.654 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.687 -5.736 -10.304 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.406 -4.337 -9.473 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.335 -5.446 -8.584 1.00 0.00 H new ATOM 947 N LEU A 65 12.593 -1.793 -7.499 1.00 0.00 N ATOM 948 CA LEU A 65 13.806 -1.052 -7.139 1.00 0.00 C ATOM 949 C LEU A 65 15.002 -2.029 -7.162 1.00 0.00 C ATOM 950 O LEU A 65 14.834 -3.197 -7.502 1.00 0.00 O ATOM 951 CB LEU A 65 13.627 -0.371 -5.738 1.00 0.00 C ATOM 952 CG LEU A 65 12.617 0.841 -5.657 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.154 0.428 -5.952 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.712 1.562 -4.286 1.00 0.00 C ATOM 0 H LEU A 65 12.065 -2.118 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 65 13.995 -0.254 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.301 -1.133 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.604 -0.022 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 65 12.915 1.537 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.508 1.303 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.090 0.009 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.834 -0.319 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.005 2.391 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.475 0.859 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.723 1.943 -4.145 1.00 0.00 H new ATOM 966 N GLU A 66 16.193 -1.565 -6.783 1.00 0.00 N ATOM 967 CA GLU A 66 17.441 -2.344 -6.922 1.00 0.00 C ATOM 968 C GLU A 66 18.331 -2.164 -5.682 1.00 0.00 C ATOM 969 O GLU A 66 18.190 -1.189 -4.957 1.00 0.00 O ATOM 970 CB GLU A 66 18.181 -1.880 -8.210 1.00 0.00 C ATOM 971 CG GLU A 66 19.484 -2.636 -8.521 1.00 0.00 C ATOM 972 CD GLU A 66 20.154 -2.191 -9.830 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.717 -1.076 -9.875 1.00 0.00 O ATOM 974 OE2 GLU A 66 20.128 -2.960 -10.819 1.00 0.00 O ATOM 0 H GLU A 66 16.328 -0.642 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 66 17.205 -3.405 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.505 -1.988 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.408 -0.818 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.183 -2.492 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.271 -3.704 -8.576 1.00 0.00 H new ATOM 981 N VAL A 67 19.230 -3.125 -5.447 1.00 0.00 N ATOM 982 CA VAL A 67 20.287 -3.045 -4.420 1.00 0.00 C ATOM 983 C VAL A 67 21.656 -3.135 -5.114 1.00 0.00 C ATOM 984 O VAL A 67 21.875 -4.012 -5.963 1.00 0.00 O ATOM 985 CB VAL A 67 20.133 -4.194 -3.350 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.377 -4.346 -2.441 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.869 -3.977 -2.488 1.00 0.00 C ATOM 0 H VAL A 67 19.248 -3.999 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 67 20.201 -2.096 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 67 20.033 -5.122 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.209 -5.152 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.248 -4.579 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.550 -3.414 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.784 -4.782 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.943 -3.022 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.987 -3.974 -3.129 1.00 0.00 H new ATOM 997 N ALA A 68 22.565 -2.209 -4.755 1.00 0.00 N ATOM 998 CA ALA A 68 23.952 -2.188 -5.268 1.00 0.00 C ATOM 999 C ALA A 68 24.873 -1.537 -4.235 1.00 0.00 C ATOM 1000 O ALA A 68 24.459 -0.595 -3.533 1.00 0.00 O ATOM 1001 CB ALA A 68 24.052 -1.449 -6.617 1.00 0.00 C ATOM 0 H ALA A 68 22.361 -1.453 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 68 24.265 -3.218 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.087 -1.456 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.423 -1.949 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.718 -0.419 -6.493 1.00 0.00 H new ATOM 1007 N GLY A 69 26.118 -2.038 -4.140 1.00 0.00 N ATOM 1008 CA GLY A 69 27.091 -1.477 -3.215 1.00 0.00 C ATOM 1009 C GLY A 69 27.769 -0.241 -3.791 1.00 0.00 C ATOM 1010 O GLY A 69 28.860 -0.318 -4.359 1.00 0.00 O ATOM 0 H GLY A 69 26.462 -2.824 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.596 -1.218 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.844 -2.229 -2.979 1.00 0.00 H new ATOM 1014 N ARG A 70 27.099 0.913 -3.624 1.00 0.00 N ATOM 1015 CA ARG A 70 27.666 2.246 -3.918 1.00 0.00 C ATOM 1016 C ARG A 70 27.877 3.010 -2.593 1.00 0.00 C ATOM 1017 O ARG A 70 28.225 4.194 -2.579 1.00 0.00 O ATOM 1018 CB ARG A 70 26.735 3.034 -4.884 1.00 0.00 C ATOM 1019 CG ARG A 70 26.594 2.419 -6.300 1.00 0.00 C ATOM 1020 CD ARG A 70 25.725 3.279 -7.246 1.00 0.00 C ATOM 1021 NE ARG A 70 26.247 4.661 -7.385 1.00 0.00 N ATOM 1022 CZ ARG A 70 26.190 5.419 -8.491 1.00 0.00 C ATOM 1023 NH1 ARG A 70 25.683 4.950 -9.622 1.00 0.00 N ATOM 1024 NH2 ARG A 70 26.652 6.660 -8.456 1.00 0.00 N ATOM 0 H ARG A 70 26.140 0.949 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 70 28.629 2.133 -4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 70 25.745 3.105 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.114 4.051 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.585 2.295 -6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.156 1.424 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 70 25.684 2.807 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 70 24.704 3.315 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 70 26.690 5.073 -6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 70 25.326 3.995 -9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 70 25.650 5.544 -10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 70 27.047 7.033 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 70 26.612 7.243 -9.292 1.00 0.00 H new ATOM 1038 N MET A 71 27.671 2.288 -1.479 1.00 0.00 N ATOM 1039 CA MET A 71 27.883 2.771 -0.113 1.00 0.00 C ATOM 1040 C MET A 71 28.924 1.852 0.555 1.00 0.00 C ATOM 1041 O MET A 71 29.132 0.717 0.103 1.00 0.00 O ATOM 1042 CB MET A 71 26.528 2.752 0.653 1.00 0.00 C ATOM 1043 CG MET A 71 26.523 3.483 2.003 1.00 0.00 C ATOM 1044 SD MET A 71 26.824 5.258 1.843 1.00 0.00 S ATOM 1045 CE MET A 71 25.404 5.779 0.874 1.00 0.00 C ATOM 0 H MET A 71 27.342 1.323 -1.510 1.00 0.00 H new ATOM 0 HA MET A 71 28.254 3.796 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 71 25.764 3.197 0.016 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.239 1.714 0.820 1.00 0.00 H new ATOM 0 HG2 MET A 71 25.562 3.325 2.492 1.00 0.00 H new ATOM 0 HG3 MET A 71 27.285 3.047 2.649 1.00 0.00 H new ATOM 0 HE1 MET A 71 25.213 6.838 1.049 1.00 0.00 H new ATOM 0 HE2 MET A 71 25.606 5.616 -0.185 1.00 0.00 H new ATOM 0 HE3 MET A 71 24.530 5.199 1.169 1.00 0.00 H new ATOM 1055 N LEU A 72 29.594 2.343 1.604 1.00 0.00 N ATOM 1056 CA LEU A 72 30.627 1.576 2.335 1.00 0.00 C ATOM 1057 C LEU A 72 30.550 1.947 3.824 1.00 0.00 C ATOM 1058 O LEU A 72 30.573 1.075 4.699 1.00 0.00 O ATOM 1059 CB LEU A 72 32.044 1.866 1.721 1.00 0.00 C ATOM 1060 CG LEU A 72 33.237 0.913 2.127 1.00 0.00 C ATOM 1061 CD1 LEU A 72 34.366 0.955 1.065 1.00 0.00 C ATOM 1062 CD2 LEU A 72 33.806 1.238 3.538 1.00 0.00 C ATOM 0 H LEU A 72 29.441 3.281 1.975 1.00 0.00 H new ATOM 0 HA LEU A 72 30.453 0.504 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 72 31.950 1.839 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 32.323 2.884 1.991 1.00 0.00 H new ATOM 0 HG LEU A 72 32.829 -0.097 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 72 35.175 0.291 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 72 33.972 0.631 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 72 34.746 1.973 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 72 34.623 0.554 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 72 34.176 2.263 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 33.018 1.125 4.283 1.00 0.00 H new ATOM 1074 N GLY A 73 30.420 3.256 4.088 1.00 0.00 N ATOM 1075 CA GLY A 73 30.414 3.798 5.447 1.00 0.00 C ATOM 1076 C GLY A 73 31.608 4.722 5.668 1.00 0.00 C ATOM 1077 O GLY A 73 32.620 4.626 4.954 1.00 0.00 O ATOM 0 H GLY A 73 30.316 3.965 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 73 29.488 4.346 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 73 30.442 2.982 6.169 1.00 0.00 H new ATOM 1081 N GLY A 74 31.491 5.621 6.649 1.00 0.00 N ATOM 1082 CA GLY A 74 32.538 6.581 6.968 1.00 0.00 C ATOM 1083 C GLY A 74 31.982 7.703 7.840 1.00 0.00 C ATOM 1084 O GLY A 74 31.479 8.701 7.288 1.00 0.00 O ATOM 1085 OXT GLY A 74 32.006 7.576 9.083 1.00 0.00 O ATOM 0 H GLY A 74 30.665 5.700 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 74 33.355 6.079 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 74 32.952 6.997 6.049 1.00 0.00 H new TER 1089 GLY A 74