USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HD1:sc= 0.346 K(o=2,f=-1.8) USER MOD Set 1.2: A 49 SER OG : rot -51:sc= 1.62 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.21 (180deg=-0.956) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2 (180deg=1.94) USER MOD Single : A 4 LYS NZ :NH3+ 134:sc= 0.481 (180deg=-0.974!) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00609 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00111 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -121:sc= 0.553 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.23) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -170:sc= -0.0539 (180deg=-0.318) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.281 USER MOD Single : A 47 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.2!) USER MOD Single : A 50 ASN : amide:sc= -0.255 K(o=-0.25,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.555 11.137 10.380 1.00 0.00 N ATOM 2 CA MET A 1 -6.658 10.707 11.479 1.00 0.00 C ATOM 3 C MET A 1 -6.517 9.190 11.498 1.00 0.00 C ATOM 4 O MET A 1 -7.465 8.467 11.813 1.00 0.00 O ATOM 5 CB MET A 1 -7.170 11.188 12.839 1.00 0.00 C ATOM 6 CG MET A 1 -7.187 12.698 12.995 1.00 0.00 C ATOM 7 SD MET A 1 -7.487 13.212 14.697 1.00 0.00 S ATOM 8 CE MET A 1 -6.020 12.566 15.504 1.00 0.00 C ATOM 0 H1 MET A 1 -7.597 12.176 10.353 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.189 10.781 9.474 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.509 10.756 10.541 1.00 0.00 H new ATOM 0 HA MET A 1 -5.683 11.158 11.295 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.180 10.806 12.991 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.546 10.759 13.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.234 13.106 12.658 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.959 13.118 12.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.807 13.154 16.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.188 11.526 15.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.173 12.625 14.820 1.00 0.00 H new ATOM 18 N GLY A 2 -5.328 8.723 11.161 1.00 0.00 N ATOM 19 CA GLY A 2 -5.047 7.303 11.136 1.00 0.00 C ATOM 20 C GLY A 2 -3.754 7.039 10.405 1.00 0.00 C ATOM 21 O GLY A 2 -2.762 7.731 10.638 1.00 0.00 O ATOM 0 H GLY A 2 -4.538 9.313 10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.982 6.920 12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.864 6.772 10.648 1.00 0.00 H new ATOM 25 N LEU A 3 -3.752 6.058 9.519 1.00 0.00 N ATOM 26 CA LEU A 3 -2.609 5.849 8.647 1.00 0.00 C ATOM 27 C LEU A 3 -2.510 6.996 7.669 1.00 0.00 C ATOM 28 O LEU A 3 -3.396 7.226 6.847 1.00 0.00 O ATOM 29 CB LEU A 3 -2.703 4.510 7.911 1.00 0.00 C ATOM 30 CG LEU A 3 -2.604 3.269 8.801 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.749 2.005 7.967 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.282 3.264 9.554 1.00 0.00 C ATOM 0 H LEU A 3 -4.520 5.400 9.385 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.706 5.816 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.649 4.476 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.909 4.467 7.165 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.416 3.296 9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.676 1.131 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.718 2.007 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.956 1.969 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.225 2.376 10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.457 3.257 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.215 4.155 10.178 1.00 0.00 H new ATOM 43 N LYS A 4 -1.432 7.726 7.810 1.00 0.00 N ATOM 44 CA LYS A 4 -1.198 8.928 7.098 1.00 0.00 C ATOM 45 C LYS A 4 -0.334 8.636 5.880 1.00 0.00 C ATOM 46 O LYS A 4 0.280 7.570 5.799 1.00 0.00 O ATOM 47 CB LYS A 4 -0.459 9.819 8.072 1.00 0.00 C ATOM 48 CG LYS A 4 -0.453 11.255 7.694 1.00 0.00 C ATOM 49 CD LYS A 4 -1.788 11.921 8.000 1.00 0.00 C ATOM 50 CE LYS A 4 -1.779 13.408 7.674 1.00 0.00 C ATOM 51 NZ LYS A 4 -1.768 13.667 6.212 1.00 0.00 N ATOM 0 H LYS A 4 -0.676 7.479 8.449 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.117 9.394 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.912 9.716 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.571 9.472 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.343 11.770 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.233 11.351 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.576 11.431 7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.027 11.784 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.656 13.880 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.904 13.872 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.468 14.401 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.822 13.989 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.006 12.792 5.703 1.00 0.00 H new ATOM 61 N TRP A 5 -0.270 9.572 4.941 1.00 0.00 N ATOM 62 CA TRP A 5 0.642 9.446 3.812 1.00 0.00 C ATOM 63 C TRP A 5 2.069 9.742 4.264 1.00 0.00 C ATOM 64 O TRP A 5 2.764 10.593 3.709 1.00 0.00 O ATOM 65 CB TRP A 5 0.237 10.378 2.671 1.00 0.00 C ATOM 66 CG TRP A 5 -1.109 10.063 2.095 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.143 10.933 1.917 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.571 8.788 1.628 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.213 10.282 1.358 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.887 8.964 1.173 1.00 0.00 C ATOM 71 CE3 TRP A 5 -0.998 7.517 1.545 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.641 7.918 0.646 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -1.744 6.480 1.020 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.053 6.686 0.575 1.00 0.00 C ATOM 0 H TRP A 5 -0.835 10.421 4.939 1.00 0.00 H new ATOM 0 HA TRP A 5 0.591 8.423 3.439 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.237 11.406 3.034 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.985 10.319 1.881 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.123 11.981 2.178 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.107 10.710 1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.013 7.348 1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.654 8.075 0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.309 5.494 0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.611 5.856 0.167 1.00 0.00 H new ATOM 84 N THR A 6 2.472 9.034 5.306 1.00 0.00 N ATOM 85 CA THR A 6 3.782 9.172 5.909 1.00 0.00 C ATOM 86 C THR A 6 4.248 7.817 6.441 1.00 0.00 C ATOM 87 O THR A 6 5.432 7.474 6.373 1.00 0.00 O ATOM 88 CB THR A 6 3.744 10.193 7.065 1.00 0.00 C ATOM 89 OG1 THR A 6 3.151 11.415 6.610 1.00 0.00 O ATOM 90 CG2 THR A 6 5.139 10.472 7.597 1.00 0.00 C ATOM 0 H THR A 6 1.886 8.336 5.763 1.00 0.00 H new ATOM 0 HA THR A 6 4.478 9.529 5.150 1.00 0.00 H new ATOM 0 HB THR A 6 3.147 9.770 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.127 12.061 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.080 11.195 8.411 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.580 9.546 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.759 10.876 6.797 1.00 0.00 H new ATOM 98 N ASP A 7 3.292 7.042 6.950 1.00 0.00 N ATOM 99 CA ASP A 7 3.559 5.716 7.500 1.00 0.00 C ATOM 100 C ASP A 7 3.715 4.683 6.385 1.00 0.00 C ATOM 101 O ASP A 7 3.076 3.634 6.412 1.00 0.00 O ATOM 102 CB ASP A 7 2.404 5.288 8.417 1.00 0.00 C ATOM 103 CG ASP A 7 2.057 6.327 9.463 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.337 7.295 9.129 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.494 6.180 10.624 1.00 0.00 O ATOM 0 H ASP A 7 2.311 7.316 6.992 1.00 0.00 H new ATOM 0 HA ASP A 7 4.488 5.768 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.522 5.085 7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.670 4.355 8.915 1.00 0.00 H new ATOM 109 N SER A 8 4.578 4.974 5.420 1.00 0.00 N ATOM 110 CA SER A 8 4.751 4.122 4.247 1.00 0.00 C ATOM 111 C SER A 8 5.181 2.704 4.629 1.00 0.00 C ATOM 112 O SER A 8 4.742 1.729 4.020 1.00 0.00 O ATOM 113 CB SER A 8 5.770 4.755 3.307 1.00 0.00 C ATOM 114 OG SER A 8 6.935 5.150 4.015 1.00 0.00 O ATOM 0 H SER A 8 5.175 5.801 5.426 1.00 0.00 H new ATOM 0 HA SER A 8 3.789 4.038 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.038 4.046 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.328 5.621 2.815 1.00 0.00 H new ATOM 0 HG SER A 8 7.576 5.552 3.392 1.00 0.00 H new ATOM 119 N ARG A 9 6.008 2.594 5.661 1.00 0.00 N ATOM 120 CA ARG A 9 6.539 1.302 6.081 1.00 0.00 C ATOM 121 C ARG A 9 5.465 0.524 6.828 1.00 0.00 C ATOM 122 O ARG A 9 5.327 -0.687 6.666 1.00 0.00 O ATOM 123 CB ARG A 9 7.776 1.497 6.970 1.00 0.00 C ATOM 124 CG ARG A 9 8.403 0.196 7.457 1.00 0.00 C ATOM 125 CD ARG A 9 9.046 -0.589 6.321 1.00 0.00 C ATOM 126 NE ARG A 9 10.212 0.098 5.758 1.00 0.00 N ATOM 127 CZ ARG A 9 10.803 -0.244 4.610 1.00 0.00 C ATOM 128 NH1 ARG A 9 10.330 -1.255 3.889 1.00 0.00 N ATOM 129 NH2 ARG A 9 11.873 0.423 4.197 1.00 0.00 N ATOM 0 H ARG A 9 6.326 3.384 6.223 1.00 0.00 H new ATOM 0 HA ARG A 9 6.837 0.736 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.524 2.063 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.498 2.100 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.154 0.417 8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.639 -0.418 7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.347 -1.571 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.310 -0.754 5.534 1.00 0.00 H new ATOM 0 HE ARG A 9 10.597 0.888 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.513 -1.773 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.784 -1.513 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.241 1.193 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.328 0.166 3.321 1.00 0.00 H new ATOM 140 N GLU A 10 4.693 1.247 7.626 1.00 0.00 N ATOM 141 CA GLU A 10 3.610 0.657 8.399 1.00 0.00 C ATOM 142 C GLU A 10 2.502 0.173 7.471 1.00 0.00 C ATOM 143 O GLU A 10 1.986 -0.932 7.620 1.00 0.00 O ATOM 144 CB GLU A 10 3.050 1.690 9.379 1.00 0.00 C ATOM 145 CG GLU A 10 4.108 2.340 10.258 1.00 0.00 C ATOM 146 CD GLU A 10 4.754 1.364 11.217 1.00 0.00 C ATOM 147 OE1 GLU A 10 4.199 1.156 12.318 1.00 0.00 O ATOM 148 OE2 GLU A 10 5.822 0.807 10.882 1.00 0.00 O ATOM 0 H GLU A 10 4.798 2.253 7.756 1.00 0.00 H new ATOM 0 HA GLU A 10 3.999 -0.195 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.531 2.466 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.308 1.208 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.877 2.784 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.654 3.153 10.825 1.00 0.00 H new ATOM 153 N ILE A 11 2.162 1.007 6.494 1.00 0.00 N ATOM 154 CA ILE A 11 1.093 0.692 5.554 1.00 0.00 C ATOM 155 C ILE A 11 1.489 -0.478 4.652 1.00 0.00 C ATOM 156 O ILE A 11 0.642 -1.259 4.216 1.00 0.00 O ATOM 157 CB ILE A 11 0.723 1.920 4.688 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.206 3.060 5.573 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.319 1.546 3.645 1.00 0.00 C ATOM 160 CD1 ILE A 11 -0.120 4.328 4.810 1.00 0.00 C ATOM 0 H ILE A 11 2.612 1.908 6.333 1.00 0.00 H new ATOM 0 HA ILE A 11 0.219 0.408 6.140 1.00 0.00 H new ATOM 0 HB ILE A 11 1.621 2.259 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.688 2.723 6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.955 3.286 6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.566 2.423 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.079 0.765 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.218 1.182 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.479 5.088 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.776 4.691 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.892 4.119 4.069 1.00 0.00 H new ATOM 171 N GLY A 12 2.786 -0.605 4.397 1.00 0.00 N ATOM 172 CA GLY A 12 3.278 -1.693 3.577 1.00 0.00 C ATOM 173 C GLY A 12 2.963 -3.051 4.168 1.00 0.00 C ATOM 174 O GLY A 12 2.644 -3.993 3.438 1.00 0.00 O ATOM 0 H GLY A 12 3.506 0.028 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.838 -1.622 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.357 -1.594 3.456 1.00 0.00 H new ATOM 178 N GLU A 13 3.031 -3.151 5.491 1.00 0.00 N ATOM 179 CA GLU A 13 2.732 -4.404 6.168 1.00 0.00 C ATOM 180 C GLU A 13 1.251 -4.734 6.041 1.00 0.00 C ATOM 181 O GLU A 13 0.881 -5.896 5.921 1.00 0.00 O ATOM 182 CB GLU A 13 3.129 -4.340 7.641 1.00 0.00 C ATOM 183 CG GLU A 13 4.597 -4.022 7.860 1.00 0.00 C ATOM 184 CD GLU A 13 5.025 -4.270 9.289 1.00 0.00 C ATOM 185 OE1 GLU A 13 4.361 -3.759 10.214 1.00 0.00 O ATOM 186 OE2 GLU A 13 6.031 -4.984 9.496 1.00 0.00 O ATOM 0 H GLU A 13 3.289 -2.384 6.111 1.00 0.00 H new ATOM 0 HA GLU A 13 3.314 -5.192 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.523 -3.583 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.898 -5.295 8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.203 -4.631 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.784 -2.980 7.601 1.00 0.00 H new ATOM 191 N ALA A 14 0.414 -3.699 6.038 1.00 0.00 N ATOM 192 CA ALA A 14 -1.026 -3.877 5.888 1.00 0.00 C ATOM 193 C ALA A 14 -1.345 -4.577 4.578 1.00 0.00 C ATOM 194 O ALA A 14 -2.203 -5.458 4.515 1.00 0.00 O ATOM 195 CB ALA A 14 -1.741 -2.535 5.935 1.00 0.00 C ATOM 0 H ALA A 14 0.710 -2.728 6.138 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.375 -4.494 6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.814 -2.690 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.544 -2.051 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.378 -1.901 5.126 1.00 0.00 H new ATOM 201 N LEU A 15 -0.632 -4.178 3.538 1.00 0.00 N ATOM 202 CA LEU A 15 -0.840 -4.723 2.210 1.00 0.00 C ATOM 203 C LEU A 15 -0.389 -6.174 2.143 1.00 0.00 C ATOM 204 O LEU A 15 -1.096 -7.025 1.601 1.00 0.00 O ATOM 205 CB LEU A 15 -0.087 -3.889 1.176 1.00 0.00 C ATOM 206 CG LEU A 15 -0.456 -2.405 1.141 1.00 0.00 C ATOM 207 CD1 LEU A 15 0.252 -1.713 -0.004 1.00 0.00 C ATOM 208 CD2 LEU A 15 -1.966 -2.229 1.039 1.00 0.00 C ATOM 0 H LEU A 15 0.102 -3.472 3.591 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.906 -4.686 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.982 -3.976 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.267 -4.315 0.189 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.128 -1.943 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.021 -0.658 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.330 -1.808 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.043 -2.174 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.208 -1.166 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.327 -2.704 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.445 -2.691 1.902 1.00 0.00 H new ATOM 219 N TYR A 16 0.783 -6.457 2.703 1.00 0.00 N ATOM 220 CA TYR A 16 1.302 -7.816 2.711 1.00 0.00 C ATOM 221 C TYR A 16 0.454 -8.714 3.605 1.00 0.00 C ATOM 222 O TYR A 16 0.217 -9.877 3.284 1.00 0.00 O ATOM 223 CB TYR A 16 2.763 -7.852 3.175 1.00 0.00 C ATOM 224 CG TYR A 16 3.307 -9.261 3.277 1.00 0.00 C ATOM 225 CD1 TYR A 16 3.738 -9.944 2.147 1.00 0.00 C ATOM 226 CD2 TYR A 16 3.356 -9.919 4.500 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.208 -11.240 2.236 1.00 0.00 C ATOM 228 CE2 TYR A 16 3.817 -11.217 4.594 1.00 0.00 C ATOM 229 CZ TYR A 16 4.242 -11.872 3.460 1.00 0.00 C ATOM 230 OH TYR A 16 4.689 -13.171 3.550 1.00 0.00 O ATOM 0 H TYR A 16 1.386 -5.768 3.153 1.00 0.00 H new ATOM 0 HA TYR A 16 1.256 -8.189 1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.376 -7.280 2.479 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.844 -7.364 4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.705 -9.455 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.028 -9.406 5.392 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.547 -11.756 1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.844 -11.716 5.552 1.00 0.00 H new ATOM 0 HH TYR A 16 4.650 -13.466 4.484 1.00 0.00 H new ATOM 239 N ASP A 17 0.007 -8.170 4.730 1.00 0.00 N ATOM 240 CA ASP A 17 -0.822 -8.918 5.670 1.00 0.00 C ATOM 241 C ASP A 17 -2.108 -9.376 4.999 1.00 0.00 C ATOM 242 O ASP A 17 -2.514 -10.533 5.128 1.00 0.00 O ATOM 243 CB ASP A 17 -1.148 -8.057 6.896 1.00 0.00 C ATOM 244 CG ASP A 17 -1.966 -8.799 7.933 1.00 0.00 C ATOM 245 OD1 ASP A 17 -1.381 -9.594 8.698 1.00 0.00 O ATOM 246 OD2 ASP A 17 -3.195 -8.575 8.006 1.00 0.00 O ATOM 0 H ASP A 17 0.205 -7.211 5.015 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.265 -9.797 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.219 -7.713 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.694 -7.169 6.576 1.00 0.00 H new ATOM 250 N ALA A 18 -2.728 -8.465 4.263 1.00 0.00 N ATOM 251 CA ALA A 18 -3.972 -8.759 3.574 1.00 0.00 C ATOM 252 C ALA A 18 -3.742 -9.664 2.367 1.00 0.00 C ATOM 253 O ALA A 18 -4.520 -10.585 2.115 1.00 0.00 O ATOM 254 CB ALA A 18 -4.654 -7.467 3.148 1.00 0.00 C ATOM 0 H ALA A 18 -2.387 -7.513 4.129 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.622 -9.292 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.586 -7.700 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.868 -6.861 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.997 -6.913 2.478 1.00 0.00 H new ATOM 260 N TYR A 19 -2.671 -9.409 1.622 1.00 0.00 N ATOM 261 CA TYR A 19 -2.387 -10.180 0.414 1.00 0.00 C ATOM 262 C TYR A 19 -0.947 -10.704 0.432 1.00 0.00 C ATOM 263 O TYR A 19 -0.071 -10.148 -0.230 1.00 0.00 O ATOM 264 CB TYR A 19 -2.601 -9.315 -0.834 1.00 0.00 C ATOM 265 CG TYR A 19 -3.863 -8.480 -0.805 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.110 -9.049 -1.026 1.00 0.00 C ATOM 267 CD2 TYR A 19 -3.800 -7.115 -0.556 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.259 -8.280 -0.998 1.00 0.00 C ATOM 269 CE2 TYR A 19 -4.942 -6.339 -0.527 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.170 -6.925 -0.749 1.00 0.00 C ATOM 271 OH TYR A 19 -7.314 -6.157 -0.721 1.00 0.00 O ATOM 0 H TYR A 19 -1.989 -8.680 1.830 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.072 -11.028 0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.744 -8.652 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.628 -9.963 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.184 -10.108 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.840 -6.652 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.222 -8.738 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.873 -5.279 -0.332 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.250 -5.451 -1.397 1.00 0.00 H new ATOM 280 N PRO A 20 -0.683 -11.783 1.190 1.00 0.00 N ATOM 281 CA PRO A 20 0.666 -12.335 1.325 1.00 0.00 C ATOM 282 C PRO A 20 1.091 -13.167 0.118 1.00 0.00 C ATOM 283 O PRO A 20 2.274 -13.246 -0.211 1.00 0.00 O ATOM 284 CB PRO A 20 0.560 -13.209 2.574 1.00 0.00 C ATOM 285 CG PRO A 20 -0.865 -13.647 2.613 1.00 0.00 C ATOM 286 CD PRO A 20 -1.672 -12.536 1.987 1.00 0.00 C ATOM 0 HA PRO A 20 1.421 -11.551 1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.235 -14.063 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.827 -12.651 3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.999 -14.580 2.065 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.187 -13.830 3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.474 -12.928 1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.138 -11.905 2.744 1.00 0.00 H new ATOM 291 N ASP A 21 0.118 -13.787 -0.535 1.00 0.00 N ATOM 292 CA ASP A 21 0.379 -14.641 -1.690 1.00 0.00 C ATOM 293 C ASP A 21 0.308 -13.849 -2.988 1.00 0.00 C ATOM 294 O ASP A 21 0.453 -14.407 -4.078 1.00 0.00 O ATOM 295 CB ASP A 21 -0.635 -15.782 -1.736 1.00 0.00 C ATOM 296 CG ASP A 21 -2.056 -15.279 -1.889 1.00 0.00 C ATOM 297 OD1 ASP A 21 -2.653 -14.862 -0.875 1.00 0.00 O ATOM 298 OD2 ASP A 21 -2.588 -15.308 -3.019 1.00 0.00 O ATOM 0 H ASP A 21 -0.868 -13.715 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 21 1.386 -15.046 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.395 -16.446 -2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.557 -16.372 -0.823 1.00 0.00 H new ATOM 302 N LEU A 22 0.088 -12.551 -2.871 1.00 0.00 N ATOM 303 CA LEU A 22 -0.088 -11.705 -4.038 1.00 0.00 C ATOM 304 C LEU A 22 1.204 -10.970 -4.371 1.00 0.00 C ATOM 305 O LEU A 22 1.865 -10.428 -3.486 1.00 0.00 O ATOM 306 CB LEU A 22 -1.221 -10.704 -3.797 1.00 0.00 C ATOM 307 CG LEU A 22 -1.533 -9.769 -4.967 1.00 0.00 C ATOM 308 CD1 LEU A 22 -1.979 -10.559 -6.188 1.00 0.00 C ATOM 309 CD2 LEU A 22 -2.595 -8.761 -4.564 1.00 0.00 C ATOM 0 H LEU A 22 0.027 -12.060 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.350 -12.338 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.125 -11.259 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.968 -10.098 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.623 -9.230 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.195 -9.872 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.186 -11.243 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.876 -11.128 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.808 -8.101 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.505 -9.287 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.235 -8.170 -3.722 1.00 0.00 H new ATOM 320 N ASP A 23 1.563 -10.971 -5.650 1.00 0.00 N ATOM 321 CA ASP A 23 2.755 -10.273 -6.120 1.00 0.00 C ATOM 322 C ASP A 23 2.555 -8.768 -6.092 1.00 0.00 C ATOM 323 O ASP A 23 1.747 -8.232 -6.851 1.00 0.00 O ATOM 324 CB ASP A 23 3.108 -10.683 -7.553 1.00 0.00 C ATOM 325 CG ASP A 23 3.852 -11.992 -7.641 1.00 0.00 C ATOM 326 OD1 ASP A 23 3.198 -13.048 -7.706 1.00 0.00 O ATOM 327 OD2 ASP A 23 5.099 -11.967 -7.677 1.00 0.00 O ATOM 0 H ASP A 23 1.042 -11.451 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 23 3.567 -10.550 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.191 -10.756 -8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.714 -9.899 -8.007 1.00 0.00 H new ATOM 331 N PRO A 24 3.309 -8.061 -5.236 1.00 0.00 N ATOM 332 CA PRO A 24 3.289 -6.596 -5.192 1.00 0.00 C ATOM 333 C PRO A 24 3.831 -6.005 -6.486 1.00 0.00 C ATOM 334 O PRO A 24 3.592 -4.846 -6.811 1.00 0.00 O ATOM 335 CB PRO A 24 4.211 -6.253 -4.017 1.00 0.00 C ATOM 336 CG PRO A 24 5.071 -7.455 -3.830 1.00 0.00 C ATOM 337 CD PRO A 24 4.230 -8.631 -4.238 1.00 0.00 C ATOM 0 HA PRO A 24 2.282 -6.195 -5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.811 -5.369 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.637 -6.036 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.972 -7.389 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.394 -7.547 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.837 -9.431 -4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.692 -9.054 -3.390 1.00 0.00 H new ATOM 342 N LYS A 25 4.551 -6.838 -7.220 1.00 0.00 N ATOM 343 CA LYS A 25 5.147 -6.458 -8.490 1.00 0.00 C ATOM 344 C LYS A 25 4.072 -6.331 -9.558 1.00 0.00 C ATOM 345 O LYS A 25 4.131 -5.459 -10.425 1.00 0.00 O ATOM 346 CB LYS A 25 6.167 -7.519 -8.903 1.00 0.00 C ATOM 347 CG LYS A 25 7.124 -7.888 -7.779 1.00 0.00 C ATOM 348 CD LYS A 25 8.004 -9.071 -8.135 1.00 0.00 C ATOM 349 CE LYS A 25 8.985 -8.740 -9.244 1.00 0.00 C ATOM 350 NZ LYS A 25 9.948 -9.851 -9.461 1.00 0.00 N ATOM 0 H LYS A 25 4.739 -7.803 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 25 5.644 -5.494 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.640 -8.414 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.739 -7.153 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.752 -7.029 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.553 -8.121 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.553 -9.393 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.378 -9.908 -8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.440 -8.542 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.528 -7.829 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.494 -9.673 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.596 -9.912 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.429 -10.747 -9.557 1.00 0.00 H new ATOM 360 N THR A 26 3.087 -7.214 -9.478 1.00 0.00 N ATOM 361 CA THR A 26 1.987 -7.237 -10.417 1.00 0.00 C ATOM 362 C THR A 26 0.952 -6.173 -10.054 1.00 0.00 C ATOM 363 O THR A 26 0.200 -5.694 -10.907 1.00 0.00 O ATOM 364 CB THR A 26 1.335 -8.628 -10.409 1.00 0.00 C ATOM 365 OG1 THR A 26 2.357 -9.627 -10.344 1.00 0.00 O ATOM 366 CG2 THR A 26 0.509 -8.850 -11.655 1.00 0.00 C ATOM 0 H THR A 26 3.033 -7.934 -8.757 1.00 0.00 H new ATOM 0 HA THR A 26 2.369 -7.021 -11.415 1.00 0.00 H new ATOM 0 HB THR A 26 0.679 -8.695 -9.541 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.945 -10.516 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.060 -9.843 -11.622 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.278 -8.097 -11.709 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.148 -8.770 -12.534 1.00 0.00 H new ATOM 374 N VAL A 27 0.931 -5.807 -8.779 1.00 0.00 N ATOM 375 CA VAL A 27 0.039 -4.770 -8.293 1.00 0.00 C ATOM 376 C VAL A 27 0.480 -3.409 -8.817 1.00 0.00 C ATOM 377 O VAL A 27 1.638 -3.020 -8.668 1.00 0.00 O ATOM 378 CB VAL A 27 0.008 -4.739 -6.752 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.882 -3.614 -6.253 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.462 -6.078 -6.203 1.00 0.00 C ATOM 0 H VAL A 27 1.527 -6.218 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.963 -4.996 -8.657 1.00 0.00 H new ATOM 0 HB VAL A 27 1.020 -4.555 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.889 -3.612 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.500 -2.660 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.897 -3.762 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.478 -6.039 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.465 -6.291 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.220 -6.864 -6.528 1.00 0.00 H new ATOM 390 N ARG A 28 -0.438 -2.701 -9.449 1.00 0.00 N ATOM 391 CA ARG A 28 -0.139 -1.391 -9.993 1.00 0.00 C ATOM 392 C ARG A 28 -0.605 -0.311 -9.028 1.00 0.00 C ATOM 393 O ARG A 28 -1.247 -0.620 -8.020 1.00 0.00 O ATOM 394 CB ARG A 28 -0.805 -1.233 -11.357 1.00 0.00 C ATOM 395 CG ARG A 28 -0.485 -2.385 -12.290 1.00 0.00 C ATOM 396 CD ARG A 28 -1.286 -2.322 -13.574 1.00 0.00 C ATOM 397 NE ARG A 28 -1.157 -3.559 -14.337 1.00 0.00 N ATOM 398 CZ ARG A 28 -1.521 -3.704 -15.607 1.00 0.00 C ATOM 399 NH1 ARG A 28 -1.981 -2.670 -16.297 1.00 0.00 N ATOM 400 NH2 ARG A 28 -1.395 -4.885 -16.194 1.00 0.00 N ATOM 0 H ARG A 28 -1.398 -3.012 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 28 0.938 -1.289 -10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.885 -1.164 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.478 -0.298 -11.812 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.579 -2.374 -12.527 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.689 -3.328 -11.783 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.336 -2.142 -13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.944 -1.482 -14.178 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.759 -4.370 -13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.058 -1.755 -15.854 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.258 -2.790 -17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.020 -5.677 -15.671 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.673 -5.002 -17.168 1.00 0.00 H new ATOM 411 N PHE A 29 -0.301 0.944 -9.322 1.00 0.00 N ATOM 412 CA PHE A 29 -0.651 2.034 -8.417 1.00 0.00 C ATOM 413 C PHE A 29 -2.162 2.137 -8.248 1.00 0.00 C ATOM 414 O PHE A 29 -2.659 2.366 -7.146 1.00 0.00 O ATOM 415 CB PHE A 29 -0.070 3.361 -8.913 1.00 0.00 C ATOM 416 CG PHE A 29 1.437 3.377 -8.921 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.145 3.215 -7.741 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.143 3.533 -10.105 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.527 3.211 -7.739 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.527 3.526 -10.109 1.00 0.00 C ATOM 421 CZ PHE A 29 4.219 3.366 -8.923 1.00 0.00 C ATOM 0 H PHE A 29 0.183 1.234 -10.172 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.215 1.815 -7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.435 3.557 -9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.433 4.170 -8.279 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.610 3.090 -6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.607 3.661 -11.034 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.065 3.087 -6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.066 3.645 -11.037 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.299 3.362 -8.923 1.00 0.00 H new ATOM 430 N THR A 30 -2.883 1.936 -9.341 1.00 0.00 N ATOM 431 CA THR A 30 -4.336 1.961 -9.320 1.00 0.00 C ATOM 432 C THR A 30 -4.894 0.846 -8.430 1.00 0.00 C ATOM 433 O THR A 30 -5.793 1.085 -7.620 1.00 0.00 O ATOM 434 CB THR A 30 -4.899 1.825 -10.747 1.00 0.00 C ATOM 435 OG1 THR A 30 -4.234 2.756 -11.615 1.00 0.00 O ATOM 436 CG2 THR A 30 -6.399 2.083 -10.773 1.00 0.00 C ATOM 0 H THR A 30 -2.480 1.752 -10.260 1.00 0.00 H new ATOM 0 HA THR A 30 -4.647 2.920 -8.906 1.00 0.00 H new ATOM 0 HB THR A 30 -4.723 0.806 -11.090 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.591 2.668 -12.524 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.768 1.980 -11.793 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.903 1.362 -10.130 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.601 3.092 -10.414 1.00 0.00 H new ATOM 444 N ASP A 31 -4.335 -0.359 -8.563 1.00 0.00 N ATOM 445 CA ASP A 31 -4.777 -1.511 -7.773 1.00 0.00 C ATOM 446 C ASP A 31 -4.553 -1.258 -6.289 1.00 0.00 C ATOM 447 O ASP A 31 -5.484 -1.320 -5.484 1.00 0.00 O ATOM 448 CB ASP A 31 -4.012 -2.784 -8.163 1.00 0.00 C ATOM 449 CG ASP A 31 -4.204 -3.204 -9.603 1.00 0.00 C ATOM 450 OD1 ASP A 31 -5.265 -3.782 -9.926 1.00 0.00 O ATOM 451 OD2 ASP A 31 -3.270 -3.003 -10.409 1.00 0.00 O ATOM 0 H ASP A 31 -3.574 -0.563 -9.211 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.839 -1.649 -7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.949 -2.626 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.329 -3.599 -7.513 1.00 0.00 H new ATOM 455 N MET A 32 -3.306 -0.961 -5.945 1.00 0.00 N ATOM 456 CA MET A 32 -2.906 -0.774 -4.557 1.00 0.00 C ATOM 457 C MET A 32 -3.697 0.360 -3.918 1.00 0.00 C ATOM 458 O MET A 32 -4.134 0.252 -2.772 1.00 0.00 O ATOM 459 CB MET A 32 -1.401 -0.494 -4.478 1.00 0.00 C ATOM 460 CG MET A 32 -0.812 -0.684 -3.087 1.00 0.00 C ATOM 461 SD MET A 32 -1.143 0.697 -1.974 1.00 0.00 S ATOM 462 CE MET A 32 0.023 1.903 -2.585 1.00 0.00 C ATOM 0 H MET A 32 -2.547 -0.844 -6.617 1.00 0.00 H new ATOM 0 HA MET A 32 -3.121 -1.689 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.882 -1.152 -5.175 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.214 0.529 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.216 -1.597 -2.651 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.266 -0.822 -3.173 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.070 2.746 -1.895 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.009 1.446 -2.667 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.297 2.254 -3.566 1.00 0.00 H new ATOM 470 N HIS A 33 -3.912 1.430 -4.680 1.00 0.00 N ATOM 471 CA HIS A 33 -4.630 2.596 -4.179 1.00 0.00 C ATOM 472 C HIS A 33 -6.052 2.226 -3.759 1.00 0.00 C ATOM 473 O HIS A 33 -6.585 2.793 -2.811 1.00 0.00 O ATOM 474 CB HIS A 33 -4.665 3.711 -5.231 1.00 0.00 C ATOM 475 CG HIS A 33 -5.307 4.972 -4.739 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.450 5.505 -5.290 1.00 0.00 N ATOM 477 CD2 HIS A 33 -4.955 5.802 -3.731 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.774 6.609 -4.640 1.00 0.00 C ATOM 479 NE2 HIS A 33 -5.883 6.811 -3.690 1.00 0.00 N ATOM 0 H HIS A 33 -3.598 1.512 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.095 2.961 -3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.646 3.931 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.205 3.356 -6.109 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.101 5.691 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.625 7.239 -4.851 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.884 7.590 -3.032 1.00 0.00 H new ATOM 487 N GLN A 34 -6.650 1.265 -4.454 1.00 0.00 N ATOM 488 CA GLN A 34 -8.005 0.828 -4.138 1.00 0.00 C ATOM 489 C GLN A 34 -8.034 0.131 -2.785 1.00 0.00 C ATOM 490 O GLN A 34 -8.946 0.331 -1.983 1.00 0.00 O ATOM 491 CB GLN A 34 -8.538 -0.123 -5.216 1.00 0.00 C ATOM 492 CG GLN A 34 -8.771 0.547 -6.559 1.00 0.00 C ATOM 493 CD GLN A 34 -9.274 -0.410 -7.623 1.00 0.00 C ATOM 494 OE1 GLN A 34 -8.967 -1.601 -7.607 1.00 0.00 O ATOM 495 NE2 GLN A 34 -10.059 0.107 -8.556 1.00 0.00 N ATOM 0 H GLN A 34 -6.219 0.775 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.643 1.711 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.832 -0.943 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.475 -0.561 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.493 1.355 -6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.840 1.001 -6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.291 1.100 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.432 -0.488 -9.296 1.00 0.00 H new ATOM 502 N TRP A 35 -7.017 -0.675 -2.533 1.00 0.00 N ATOM 503 CA TRP A 35 -6.952 -1.461 -1.313 1.00 0.00 C ATOM 504 C TRP A 35 -6.495 -0.611 -0.134 1.00 0.00 C ATOM 505 O TRP A 35 -7.051 -0.711 0.957 1.00 0.00 O ATOM 506 CB TRP A 35 -6.015 -2.651 -1.505 1.00 0.00 C ATOM 507 CG TRP A 35 -6.391 -3.506 -2.676 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.654 -3.787 -3.112 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.499 -4.198 -3.555 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.600 -4.604 -4.211 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.291 -4.872 -4.503 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.111 -4.311 -3.633 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.737 -5.649 -5.516 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.564 -5.083 -4.639 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.375 -5.742 -5.571 1.00 0.00 C ATOM 0 H TRP A 35 -6.222 -0.802 -3.160 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.954 -1.829 -1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.996 -2.287 -1.640 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.019 -3.260 -0.601 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.562 -3.419 -2.658 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.406 -4.956 -4.728 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.476 -3.805 -2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.362 -6.160 -6.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.491 -5.180 -4.708 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.915 -6.335 -6.348 1.00 0.00 H new ATOM 525 N ILE A 36 -5.492 0.231 -0.364 1.00 0.00 N ATOM 526 CA ILE A 36 -4.972 1.107 0.680 1.00 0.00 C ATOM 527 C ILE A 36 -6.051 2.112 1.104 1.00 0.00 C ATOM 528 O ILE A 36 -6.130 2.504 2.266 1.00 0.00 O ATOM 529 CB ILE A 36 -3.670 1.827 0.205 1.00 0.00 C ATOM 530 CG1 ILE A 36 -2.792 2.263 1.390 1.00 0.00 C ATOM 531 CG2 ILE A 36 -3.977 3.020 -0.691 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.297 3.472 2.152 1.00 0.00 C ATOM 0 H ILE A 36 -5.023 0.325 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.708 0.504 1.549 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.111 1.098 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.703 1.427 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.790 2.478 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.045 3.493 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.522 2.682 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.585 3.740 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.611 3.701 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.358 4.327 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.286 3.259 2.559 1.00 0.00 H new ATOM 543 N CYS A 37 -6.911 2.485 0.163 1.00 0.00 N ATOM 544 CA CYS A 37 -8.009 3.392 0.452 1.00 0.00 C ATOM 545 C CYS A 37 -9.043 2.701 1.334 1.00 0.00 C ATOM 546 O CYS A 37 -9.698 3.335 2.165 1.00 0.00 O ATOM 547 CB CYS A 37 -8.651 3.873 -0.851 1.00 0.00 C ATOM 548 SG CYS A 37 -9.974 5.082 -0.631 1.00 0.00 S ATOM 0 H CYS A 37 -6.867 2.171 -0.807 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.621 4.258 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.878 4.310 -1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.049 3.010 -1.385 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.447 5.424 -1.793 1.00 0.00 H new ATOM 553 N ASP A 38 -9.166 1.389 1.172 1.00 0.00 N ATOM 554 CA ASP A 38 -10.117 0.615 1.955 1.00 0.00 C ATOM 555 C ASP A 38 -9.433 -0.087 3.119 1.00 0.00 C ATOM 556 O ASP A 38 -9.786 -1.211 3.478 1.00 0.00 O ATOM 557 CB ASP A 38 -10.869 -0.397 1.090 1.00 0.00 C ATOM 558 CG ASP A 38 -12.165 0.172 0.550 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.055 0.503 1.365 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.306 0.285 -0.686 1.00 0.00 O ATOM 0 H ASP A 38 -8.620 0.841 0.507 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.845 1.319 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.235 -0.706 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.082 -1.290 1.678 1.00 0.00 H new ATOM 564 N LEU A 39 -8.442 0.576 3.693 1.00 0.00 N ATOM 565 CA LEU A 39 -7.855 0.126 4.942 1.00 0.00 C ATOM 566 C LEU A 39 -8.660 0.696 6.100 1.00 0.00 C ATOM 567 O LEU A 39 -9.031 1.872 6.091 1.00 0.00 O ATOM 568 CB LEU A 39 -6.394 0.567 5.058 1.00 0.00 C ATOM 569 CG LEU A 39 -5.440 -0.029 4.024 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.014 0.426 4.296 1.00 0.00 C ATOM 571 CD2 LEU A 39 -5.526 -1.543 4.038 1.00 0.00 C ATOM 0 H LEU A 39 -8.028 1.427 3.313 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.879 -0.963 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.354 1.653 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.032 0.306 6.053 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.733 0.324 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.346 -0.007 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.962 1.513 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.711 0.098 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.841 -1.953 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.255 -1.914 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.544 -1.852 3.801 1.00 0.00 H new ATOM 582 N GLU A 40 -8.935 -0.137 7.089 1.00 0.00 N ATOM 583 CA GLU A 40 -9.750 0.265 8.225 1.00 0.00 C ATOM 584 C GLU A 40 -8.962 1.159 9.179 1.00 0.00 C ATOM 585 O GLU A 40 -9.540 1.928 9.947 1.00 0.00 O ATOM 586 CB GLU A 40 -10.306 -0.963 8.964 1.00 0.00 C ATOM 587 CG GLU A 40 -9.273 -2.038 9.293 1.00 0.00 C ATOM 588 CD GLU A 40 -8.908 -2.899 8.097 1.00 0.00 C ATOM 589 OE1 GLU A 40 -9.656 -3.847 7.787 1.00 0.00 O ATOM 590 OE2 GLU A 40 -7.873 -2.627 7.456 1.00 0.00 O ATOM 0 H GLU A 40 -8.604 -1.101 7.129 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.592 0.842 7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.771 -0.631 9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.092 -1.410 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.372 -1.561 9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.661 -2.676 10.087 1.00 0.00 H new ATOM 595 N ASP A 41 -7.641 1.062 9.124 1.00 0.00 N ATOM 596 CA ASP A 41 -6.783 1.909 9.945 1.00 0.00 C ATOM 597 C ASP A 41 -6.348 3.143 9.164 1.00 0.00 C ATOM 598 O ASP A 41 -5.787 4.083 9.728 1.00 0.00 O ATOM 599 CB ASP A 41 -5.560 1.130 10.445 1.00 0.00 C ATOM 600 CG ASP A 41 -5.926 0.081 11.478 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.463 -0.979 11.095 1.00 0.00 O ATOM 602 OD2 ASP A 41 -5.668 0.305 12.682 1.00 0.00 O ATOM 0 H ASP A 41 -7.140 0.408 8.522 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.356 2.232 10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.069 0.648 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.841 1.826 10.877 1.00 0.00 H new ATOM 606 N PHE A 42 -6.602 3.132 7.862 1.00 0.00 N ATOM 607 CA PHE A 42 -6.324 4.291 7.023 1.00 0.00 C ATOM 608 C PHE A 42 -7.444 5.321 7.129 1.00 0.00 C ATOM 609 O PHE A 42 -8.625 4.977 7.056 1.00 0.00 O ATOM 610 CB PHE A 42 -6.141 3.870 5.562 1.00 0.00 C ATOM 611 CG PHE A 42 -6.134 5.025 4.599 1.00 0.00 C ATOM 612 CD1 PHE A 42 -5.043 5.875 4.518 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.229 5.267 3.782 1.00 0.00 C ATOM 614 CE1 PHE A 42 -5.045 6.943 3.641 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.236 6.333 2.906 1.00 0.00 C ATOM 616 CZ PHE A 42 -6.143 7.173 2.834 1.00 0.00 C ATOM 0 H PHE A 42 -6.999 2.335 7.364 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.399 4.745 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.204 3.322 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.942 3.184 5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.182 5.701 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.087 4.613 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.188 7.598 3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.096 6.510 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.146 8.008 2.149 1.00 0.00 H new ATOM 625 N ASP A 43 -7.061 6.582 7.285 1.00 0.00 N ATOM 626 CA ASP A 43 -8.017 7.683 7.347 1.00 0.00 C ATOM 627 C ASP A 43 -7.293 9.017 7.230 1.00 0.00 C ATOM 628 O ASP A 43 -6.738 9.518 8.212 1.00 0.00 O ATOM 629 CB ASP A 43 -8.824 7.641 8.652 1.00 0.00 C ATOM 630 CG ASP A 43 -9.765 8.825 8.797 1.00 0.00 C ATOM 631 OD1 ASP A 43 -10.695 8.961 7.973 1.00 0.00 O ATOM 632 OD2 ASP A 43 -9.578 9.622 9.740 1.00 0.00 O ATOM 0 H ASP A 43 -6.086 6.870 7.372 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.709 7.575 6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.401 6.717 8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.138 7.622 9.499 1.00 0.00 H new ATOM 636 N ASP A 44 -7.283 9.585 6.027 1.00 0.00 N ATOM 637 CA ASP A 44 -6.603 10.855 5.792 1.00 0.00 C ATOM 638 C ASP A 44 -7.091 11.520 4.508 1.00 0.00 C ATOM 639 O ASP A 44 -7.992 12.355 4.541 1.00 0.00 O ATOM 640 CB ASP A 44 -5.083 10.658 5.748 1.00 0.00 C ATOM 641 CG ASP A 44 -4.338 11.968 5.585 1.00 0.00 C ATOM 642 OD1 ASP A 44 -4.612 12.911 6.352 1.00 0.00 O ATOM 643 OD2 ASP A 44 -3.466 12.062 4.699 1.00 0.00 O ATOM 0 H ASP A 44 -7.736 9.188 5.204 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.844 11.516 6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.756 10.168 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.829 9.993 4.923 1.00 0.00 H new ATOM 647 N ASP A 45 -6.510 11.147 3.372 1.00 0.00 N ATOM 648 CA ASP A 45 -6.889 11.754 2.098 1.00 0.00 C ATOM 649 C ASP A 45 -6.808 10.738 0.965 1.00 0.00 C ATOM 650 O ASP A 45 -5.731 10.479 0.431 1.00 0.00 O ATOM 651 CB ASP A 45 -5.981 12.943 1.780 1.00 0.00 C ATOM 652 CG ASP A 45 -6.538 13.837 0.687 1.00 0.00 C ATOM 653 OD1 ASP A 45 -6.855 13.332 -0.410 1.00 0.00 O ATOM 654 OD2 ASP A 45 -6.640 15.061 0.920 1.00 0.00 O ATOM 0 H ASP A 45 -5.782 10.435 3.306 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.919 12.100 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.833 13.533 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.001 12.574 1.476 1.00 0.00 H new ATOM 658 N PRO A 46 -7.946 10.156 0.575 1.00 0.00 N ATOM 659 CA PRO A 46 -7.993 9.158 -0.499 1.00 0.00 C ATOM 660 C PRO A 46 -7.797 9.763 -1.891 1.00 0.00 C ATOM 661 O PRO A 46 -7.512 9.046 -2.846 1.00 0.00 O ATOM 662 CB PRO A 46 -9.399 8.573 -0.369 1.00 0.00 C ATOM 663 CG PRO A 46 -10.209 9.662 0.247 1.00 0.00 C ATOM 664 CD PRO A 46 -9.278 10.410 1.159 1.00 0.00 C ATOM 0 HA PRO A 46 -7.191 8.426 -0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.799 8.284 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.399 7.679 0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.620 10.322 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.053 9.253 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.509 11.475 1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.343 10.046 2.185 1.00 0.00 H new ATOM 669 N GLN A 47 -7.920 11.079 -2.001 1.00 0.00 N ATOM 670 CA GLN A 47 -7.896 11.728 -3.304 1.00 0.00 C ATOM 671 C GLN A 47 -6.480 12.153 -3.693 1.00 0.00 C ATOM 672 O GLN A 47 -6.135 12.163 -4.876 1.00 0.00 O ATOM 673 CB GLN A 47 -8.840 12.933 -3.318 1.00 0.00 C ATOM 674 CG GLN A 47 -8.961 13.600 -4.682 1.00 0.00 C ATOM 675 CD GLN A 47 -9.644 12.724 -5.725 1.00 0.00 C ATOM 676 OE1 GLN A 47 -9.582 11.494 -5.673 1.00 0.00 O ATOM 677 NE2 GLN A 47 -10.290 13.358 -6.691 1.00 0.00 N ATOM 0 H GLN A 47 -8.036 11.713 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.239 11.003 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.829 12.612 -2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.488 13.668 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.521 14.529 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.966 13.867 -5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.320 14.378 -6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.758 12.827 -7.425 1.00 0.00 H new ATOM 684 N ALA A 48 -5.666 12.503 -2.704 1.00 0.00 N ATOM 685 CA ALA A 48 -4.288 12.908 -2.961 1.00 0.00 C ATOM 686 C ALA A 48 -3.455 11.722 -3.431 1.00 0.00 C ATOM 687 O ALA A 48 -3.356 11.468 -4.633 1.00 0.00 O ATOM 688 CB ALA A 48 -3.669 13.534 -1.718 1.00 0.00 C ATOM 0 H ALA A 48 -5.934 12.515 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.298 13.656 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.642 13.829 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.245 14.412 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.676 12.810 -0.904 1.00 0.00 H new ATOM 694 N SER A 49 -2.872 11.002 -2.473 1.00 0.00 N ATOM 695 CA SER A 49 -2.111 9.787 -2.757 1.00 0.00 C ATOM 696 C SER A 49 -1.080 10.014 -3.862 1.00 0.00 C ATOM 697 O SER A 49 -1.183 9.441 -4.947 1.00 0.00 O ATOM 698 CB SER A 49 -3.069 8.666 -3.159 1.00 0.00 C ATOM 699 OG SER A 49 -4.172 8.595 -2.268 1.00 0.00 O ATOM 0 H SER A 49 -2.914 11.243 -1.483 1.00 0.00 H new ATOM 0 HA SER A 49 -1.571 9.506 -1.853 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.427 8.836 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.539 7.714 -3.163 1.00 0.00 H new ATOM 0 HG SER A 49 -3.845 8.560 -1.345 1.00 0.00 H new ATOM 704 N ASN A 50 -0.111 10.876 -3.580 1.00 0.00 N ATOM 705 CA ASN A 50 0.988 11.156 -4.507 1.00 0.00 C ATOM 706 C ASN A 50 1.626 9.858 -4.990 1.00 0.00 C ATOM 707 O ASN A 50 1.662 8.865 -4.258 1.00 0.00 O ATOM 708 CB ASN A 50 2.061 12.010 -3.822 1.00 0.00 C ATOM 709 CG ASN A 50 1.535 13.325 -3.276 1.00 0.00 C ATOM 710 OD1 ASN A 50 0.360 13.455 -2.937 1.00 0.00 O ATOM 711 ND2 ASN A 50 2.414 14.300 -3.157 1.00 0.00 N ATOM 0 H ASN A 50 -0.061 11.401 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 50 0.577 11.698 -5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.502 11.438 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.859 12.216 -4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.128 15.200 -2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.380 14.154 -3.449 1.00 0.00 H new ATOM 717 N GLU A 51 2.138 9.866 -6.215 1.00 0.00 N ATOM 718 CA GLU A 51 2.781 8.685 -6.777 1.00 0.00 C ATOM 719 C GLU A 51 4.018 8.325 -5.968 1.00 0.00 C ATOM 720 O GLU A 51 4.326 7.148 -5.783 1.00 0.00 O ATOM 721 CB GLU A 51 3.154 8.911 -8.244 1.00 0.00 C ATOM 722 CG GLU A 51 1.960 9.220 -9.130 1.00 0.00 C ATOM 723 CD GLU A 51 2.337 9.343 -10.590 1.00 0.00 C ATOM 724 OE1 GLU A 51 3.026 10.322 -10.949 1.00 0.00 O ATOM 725 OE2 GLU A 51 1.936 8.473 -11.386 1.00 0.00 O ATOM 0 H GLU A 51 2.121 10.675 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 51 2.074 7.857 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.866 9.734 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.658 8.023 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.214 8.433 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.497 10.149 -8.798 1.00 0.00 H new ATOM 730 N LYS A 52 4.713 9.348 -5.479 1.00 0.00 N ATOM 731 CA LYS A 52 5.850 9.156 -4.589 1.00 0.00 C ATOM 732 C LYS A 52 5.422 8.354 -3.365 1.00 0.00 C ATOM 733 O LYS A 52 6.135 7.461 -2.903 1.00 0.00 O ATOM 734 CB LYS A 52 6.401 10.514 -4.149 1.00 0.00 C ATOM 735 CG LYS A 52 7.741 10.434 -3.435 1.00 0.00 C ATOM 736 CD LYS A 52 8.145 11.776 -2.840 1.00 0.00 C ATOM 737 CE LYS A 52 8.139 12.889 -3.882 1.00 0.00 C ATOM 738 NZ LYS A 52 9.175 12.700 -4.933 1.00 0.00 N ATOM 0 H LYS A 52 4.505 10.325 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 52 6.628 8.609 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.505 11.154 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.677 10.992 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.687 9.687 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.507 10.101 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.462 12.034 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.140 11.694 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.156 12.936 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.301 13.846 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.126 13.484 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.117 12.682 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.007 11.801 -5.428 1.00 0.00 H new ATOM 748 N ILE A 53 4.236 8.681 -2.861 1.00 0.00 N ATOM 749 CA ILE A 53 3.656 7.989 -1.719 1.00 0.00 C ATOM 750 C ILE A 53 3.362 6.539 -2.079 1.00 0.00 C ATOM 751 O ILE A 53 3.837 5.613 -1.423 1.00 0.00 O ATOM 752 CB ILE A 53 2.327 8.637 -1.275 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.485 10.141 -1.046 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.808 7.956 -0.018 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.233 10.498 0.217 1.00 0.00 C ATOM 0 H ILE A 53 3.653 9.431 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 53 4.381 8.052 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 53 1.601 8.502 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.007 10.575 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.496 10.598 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.870 8.421 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.640 6.898 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.541 8.060 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.302 11.582 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.702 10.097 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.236 10.073 0.178 1.00 0.00 H new ATOM 766 N LEU A 54 2.579 6.363 -3.137 1.00 0.00 N ATOM 767 CA LEU A 54 2.130 5.042 -3.559 1.00 0.00 C ATOM 768 C LEU A 54 3.306 4.134 -3.896 1.00 0.00 C ATOM 769 O LEU A 54 3.285 2.944 -3.587 1.00 0.00 O ATOM 770 CB LEU A 54 1.193 5.160 -4.763 1.00 0.00 C ATOM 771 CG LEU A 54 -0.076 5.984 -4.524 1.00 0.00 C ATOM 772 CD1 LEU A 54 -0.909 6.059 -5.793 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.897 5.394 -3.384 1.00 0.00 C ATOM 0 H LEU A 54 2.240 7.126 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 54 1.588 4.593 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.745 5.605 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.902 4.157 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 54 0.222 6.994 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.807 6.648 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.325 6.530 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.193 5.053 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.793 5.995 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.183 4.372 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.302 5.392 -2.471 1.00 0.00 H new ATOM 784 N GLU A 55 4.334 4.699 -4.517 1.00 0.00 N ATOM 785 CA GLU A 55 5.516 3.932 -4.877 1.00 0.00 C ATOM 786 C GLU A 55 6.250 3.473 -3.624 1.00 0.00 C ATOM 787 O GLU A 55 6.683 2.330 -3.539 1.00 0.00 O ATOM 788 CB GLU A 55 6.448 4.753 -5.767 1.00 0.00 C ATOM 789 CG GLU A 55 7.601 3.944 -6.334 1.00 0.00 C ATOM 790 CD GLU A 55 8.544 4.781 -7.165 1.00 0.00 C ATOM 791 OE1 GLU A 55 8.282 4.968 -8.373 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.553 5.262 -6.615 1.00 0.00 O ATOM 0 H GLU A 55 4.372 5.684 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 55 5.195 3.054 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.873 5.179 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.847 5.588 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.155 3.484 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.205 3.134 -6.946 1.00 0.00 H new ATOM 797 N ALA A 56 6.360 4.361 -2.641 1.00 0.00 N ATOM 798 CA ALA A 56 7.020 4.031 -1.381 1.00 0.00 C ATOM 799 C ALA A 56 6.283 2.902 -0.668 1.00 0.00 C ATOM 800 O ALA A 56 6.901 2.007 -0.091 1.00 0.00 O ATOM 801 CB ALA A 56 7.105 5.259 -0.485 1.00 0.00 C ATOM 0 H ALA A 56 6.001 5.314 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 56 8.033 3.694 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.600 4.994 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.676 6.039 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.100 5.625 -0.273 1.00 0.00 H new ATOM 807 N ILE A 57 4.957 2.946 -0.728 1.00 0.00 N ATOM 808 CA ILE A 57 4.123 1.919 -0.113 1.00 0.00 C ATOM 809 C ILE A 57 4.204 0.616 -0.913 1.00 0.00 C ATOM 810 O ILE A 57 4.067 -0.481 -0.368 1.00 0.00 O ATOM 811 CB ILE A 57 2.655 2.389 -0.012 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.575 3.711 0.758 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.793 1.336 0.669 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.179 4.289 0.833 1.00 0.00 C ATOM 0 H ILE A 57 4.434 3.685 -1.198 1.00 0.00 H new ATOM 0 HA ILE A 57 4.497 1.739 0.895 1.00 0.00 H new ATOM 0 HB ILE A 57 2.276 2.541 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.949 3.555 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.234 4.438 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.764 1.691 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.826 0.411 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.171 1.151 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.202 5.224 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.809 4.478 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.519 3.582 1.335 1.00 0.00 H new ATOM 825 N LEU A 58 4.440 0.746 -2.207 1.00 0.00 N ATOM 826 CA LEU A 58 4.621 -0.410 -3.074 1.00 0.00 C ATOM 827 C LEU A 58 5.993 -1.038 -2.810 1.00 0.00 C ATOM 828 O LEU A 58 6.138 -2.259 -2.791 1.00 0.00 O ATOM 829 CB LEU A 58 4.478 0.032 -4.541 1.00 0.00 C ATOM 830 CG LEU A 58 4.179 -1.070 -5.569 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.432 -1.854 -5.915 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.094 -2.004 -5.052 1.00 0.00 C ATOM 0 H LEU A 58 4.511 1.645 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 58 3.860 -1.162 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.681 0.774 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.400 0.532 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 58 3.821 -0.589 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.188 -2.626 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.178 -1.180 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.831 -2.319 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.896 -2.778 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.426 -2.468 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.182 -1.436 -4.868 1.00 0.00 H new ATOM 843 N LEU A 59 6.989 -0.184 -2.580 1.00 0.00 N ATOM 844 CA LEU A 59 8.360 -0.627 -2.331 1.00 0.00 C ATOM 845 C LEU A 59 8.472 -1.455 -1.055 1.00 0.00 C ATOM 846 O LEU A 59 9.146 -2.482 -1.039 1.00 0.00 O ATOM 847 CB LEU A 59 9.309 0.572 -2.254 1.00 0.00 C ATOM 848 CG LEU A 59 9.505 1.334 -3.566 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.432 2.515 -3.354 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.056 0.411 -4.642 1.00 0.00 C ATOM 0 H LEU A 59 6.870 0.829 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 59 8.646 -1.262 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.932 1.266 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.281 0.223 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 59 8.536 1.708 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.563 3.048 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.001 3.188 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.400 2.159 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.189 0.970 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.017 0.009 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.358 -0.409 -4.810 1.00 0.00 H new ATOM 861 N VAL A 60 7.822 -1.007 0.012 1.00 0.00 N ATOM 862 CA VAL A 60 7.852 -1.736 1.278 1.00 0.00 C ATOM 863 C VAL A 60 7.150 -3.088 1.144 1.00 0.00 C ATOM 864 O VAL A 60 7.559 -4.077 1.755 1.00 0.00 O ATOM 865 CB VAL A 60 7.225 -0.910 2.430 1.00 0.00 C ATOM 866 CG1 VAL A 60 5.888 -0.329 2.021 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.068 -1.753 3.688 1.00 0.00 C ATOM 0 H VAL A 60 7.271 -0.149 0.029 1.00 0.00 H new ATOM 0 HA VAL A 60 8.899 -1.911 1.528 1.00 0.00 H new ATOM 0 HB VAL A 60 7.906 -0.087 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.472 0.245 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.023 0.324 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.204 -1.137 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.626 -1.147 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.420 -2.604 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.046 -2.112 4.010 1.00 0.00 H new ATOM 877 N TRP A 61 6.106 -3.129 0.326 1.00 0.00 N ATOM 878 CA TRP A 61 5.418 -4.376 0.028 1.00 0.00 C ATOM 879 C TRP A 61 6.377 -5.313 -0.711 1.00 0.00 C ATOM 880 O TRP A 61 6.411 -6.520 -0.461 1.00 0.00 O ATOM 881 CB TRP A 61 4.170 -4.089 -0.816 1.00 0.00 C ATOM 882 CG TRP A 61 3.197 -5.230 -0.914 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.352 -6.503 -0.438 1.00 0.00 C ATOM 884 CD2 TRP A 61 1.908 -5.192 -1.535 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.238 -7.254 -0.729 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.336 -6.469 -1.399 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.179 -4.196 -2.192 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.072 -6.776 -1.897 1.00 0.00 C ATOM 889 CZ3 TRP A 61 -0.076 -4.500 -2.682 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.619 -5.780 -2.532 1.00 0.00 C ATOM 0 H TRP A 61 5.718 -2.311 -0.143 1.00 0.00 H new ATOM 0 HA TRP A 61 5.099 -4.858 0.952 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.655 -3.226 -0.394 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.485 -3.812 -1.822 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.222 -6.865 0.089 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.104 -8.236 -0.486 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.591 -3.205 -2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.348 -7.765 -1.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.647 -3.737 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.603 -5.987 -2.925 1.00 0.00 H new ATOM 900 N LEU A 62 7.175 -4.733 -1.602 1.00 0.00 N ATOM 901 CA LEU A 62 8.204 -5.478 -2.320 1.00 0.00 C ATOM 902 C LEU A 62 9.232 -6.054 -1.352 1.00 0.00 C ATOM 903 O LEU A 62 9.646 -7.194 -1.500 1.00 0.00 O ATOM 904 CB LEU A 62 8.912 -4.583 -3.342 1.00 0.00 C ATOM 905 CG LEU A 62 8.046 -4.085 -4.500 1.00 0.00 C ATOM 906 CD1 LEU A 62 8.833 -3.113 -5.365 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.548 -5.254 -5.335 1.00 0.00 C ATOM 0 H LEU A 62 7.128 -3.744 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 62 7.712 -6.297 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.320 -3.718 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.757 -5.133 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 62 7.182 -3.565 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.205 -2.766 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.146 -2.261 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.713 -3.615 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.934 -4.880 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.400 -5.801 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.953 -5.920 -4.710 1.00 0.00 H new ATOM 918 N ASP A 63 9.623 -5.263 -0.357 1.00 0.00 N ATOM 919 CA ASP A 63 10.634 -5.683 0.620 1.00 0.00 C ATOM 920 C ASP A 63 10.250 -6.990 1.299 1.00 0.00 C ATOM 921 O ASP A 63 11.071 -7.899 1.430 1.00 0.00 O ATOM 922 CB ASP A 63 10.838 -4.617 1.701 1.00 0.00 C ATOM 923 CG ASP A 63 11.507 -3.360 1.191 1.00 0.00 C ATOM 924 OD1 ASP A 63 12.517 -3.466 0.467 1.00 0.00 O ATOM 925 OD2 ASP A 63 11.046 -2.255 1.538 1.00 0.00 O ATOM 0 H ASP A 63 9.256 -4.324 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 63 11.560 -5.824 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.870 -4.356 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.440 -5.038 2.506 1.00 0.00 H new ATOM 929 N GLU A 64 8.998 -7.073 1.729 1.00 0.00 N ATOM 930 CA GLU A 64 8.524 -8.218 2.494 1.00 0.00 C ATOM 931 C GLU A 64 8.404 -9.471 1.626 1.00 0.00 C ATOM 932 O GLU A 64 8.684 -10.580 2.086 1.00 0.00 O ATOM 933 CB GLU A 64 7.170 -7.897 3.133 1.00 0.00 C ATOM 934 CG GLU A 64 7.193 -6.686 4.056 1.00 0.00 C ATOM 935 CD GLU A 64 8.084 -6.881 5.268 1.00 0.00 C ATOM 936 OE1 GLU A 64 9.295 -6.593 5.178 1.00 0.00 O ATOM 937 OE2 GLU A 64 7.573 -7.320 6.320 1.00 0.00 O ATOM 0 H GLU A 64 8.290 -6.358 1.560 1.00 0.00 H new ATOM 0 HA GLU A 64 9.259 -8.421 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.439 -7.725 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.831 -8.765 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.536 -5.816 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.178 -6.471 4.389 1.00 0.00 H new ATOM 942 N ALA A 65 7.983 -9.295 0.382 1.00 0.00 N ATOM 943 CA ALA A 65 7.764 -10.422 -0.519 1.00 0.00 C ATOM 944 C ALA A 65 9.015 -10.758 -1.330 1.00 0.00 C ATOM 945 O ALA A 65 9.495 -11.888 -1.307 1.00 0.00 O ATOM 946 CB ALA A 65 6.598 -10.125 -1.447 1.00 0.00 C ATOM 0 H ALA A 65 7.785 -8.382 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 65 7.529 -11.294 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.441 -10.971 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.697 -9.957 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.818 -9.234 -2.034 1.00 0.00 H new ATOM 952 N GLU A 66 9.542 -9.764 -2.028 1.00 0.00 N ATOM 953 CA GLU A 66 10.675 -9.954 -2.927 1.00 0.00 C ATOM 954 C GLU A 66 11.991 -9.816 -2.165 1.00 0.00 C ATOM 955 O GLU A 66 12.547 -10.852 -1.735 1.00 0.00 O ATOM 956 CB GLU A 66 10.603 -8.927 -4.068 1.00 0.00 C ATOM 957 CG GLU A 66 11.744 -9.013 -5.071 1.00 0.00 C ATOM 958 CD GLU A 66 11.668 -10.236 -5.956 1.00 0.00 C ATOM 959 OE1 GLU A 66 12.065 -11.330 -5.506 1.00 0.00 O ATOM 960 OE2 GLU A 66 11.216 -10.108 -7.113 1.00 0.00 O ATOM 961 OXT GLU A 66 12.460 -8.675 -1.980 1.00 0.00 O ATOM 0 H GLU A 66 9.199 -8.804 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 66 10.632 -10.958 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.660 -9.058 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.590 -7.926 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.738 -8.120 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.692 -9.020 -4.533 1.00 0.00 H new TER 966 GLU A 66