USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 715 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 27 SER OG : rot -26:sc= 0.374 USER MOD Set 1.2: A 32 ASN : amide:sc= 0.356 K(o=0.73,f=-0.72) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -170:sc= 0.742 (180deg=0.543) USER MOD Set 2.2: A 28 SER OG : rot 180:sc= -0.074 USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0239 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 146:sc= 1.34 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 17 GLN : amide:sc= -3.27! K(o=-3.3!,f=-2.1) USER MOD Single : A 20 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.6) USER MOD Single : A 21 LYS NZ :NH3+ -101:sc= 1.23 (180deg=-0.896) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 170:sc= -0.0127 USER MOD Single : A 51 THR OG1 : rot 39:sc= -1.85! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -32:sc= 0.811 USER MOD Single : A 59 MET CE :methyl -174:sc= 0 (180deg=-0.0033) USER MOD Single : A 62 ASN : amide:sc=-0.00869 K(o=-0.0087,f=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ -107:sc= 1.27 (180deg=0.0253) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 1.26 (180deg=-0.0925) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc=-0.00139 (180deg=-0.114) USER MOD Single : A 84 SER OG : rot 118:sc= 1.25 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 94 TYR OH : rot 180:sc= -1.7! USER MOD Single : A 100 LYS NZ :NH3+ 171:sc=-0.00443 (180deg=-0.0915) USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= 0.624 (180deg=0.614) USER MOD Single : A 105 LYS NZ :NH3+ -127:sc= 1.01 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.553 -12.508 5.562 1.00 0.00 N ATOM 2 CA ALA A 1 9.169 -12.432 6.076 1.00 0.00 C ATOM 3 C ALA A 1 8.768 -10.974 6.259 1.00 0.00 C ATOM 4 O ALA A 1 9.584 -10.154 6.679 1.00 0.00 O ATOM 5 CB ALA A 1 9.050 -13.198 7.381 1.00 0.00 C ATOM 0 H1 ALA A 1 11.094 -13.197 6.122 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.538 -12.807 4.566 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.002 -11.573 5.635 1.00 0.00 H new ATOM 0 HA ALA A 1 8.491 -12.889 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.026 -13.134 7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.311 -14.243 7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.728 -12.768 8.118 1.00 0.00 H new ATOM 13 N PHE A 2 7.578 -10.626 5.786 1.00 0.00 N ATOM 14 CA PHE A 2 7.163 -9.230 5.737 1.00 0.00 C ATOM 15 C PHE A 2 6.784 -8.662 7.101 1.00 0.00 C ATOM 16 O PHE A 2 6.760 -7.444 7.261 1.00 0.00 O ATOM 17 CB PHE A 2 6.013 -9.039 4.755 1.00 0.00 C ATOM 18 CG PHE A 2 6.426 -8.288 3.526 1.00 0.00 C ATOM 19 CD1 PHE A 2 6.363 -6.906 3.497 1.00 0.00 C ATOM 20 CD2 PHE A 2 6.893 -8.959 2.409 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.752 -6.203 2.376 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.286 -8.262 1.283 1.00 0.00 C ATOM 23 CZ PHE A 2 7.213 -6.883 1.266 1.00 0.00 C ATOM 0 H PHE A 2 6.886 -11.287 5.433 1.00 0.00 H new ATOM 0 HA PHE A 2 8.034 -8.672 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.621 -10.014 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.203 -8.503 5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.004 -6.371 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.951 -10.037 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.696 -5.124 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.650 -8.795 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.516 -6.337 0.385 1.00 0.00 H new ATOM 32 N ASP A 3 6.420 -9.528 8.050 1.00 0.00 N ATOM 33 CA ASP A 3 6.035 -9.095 9.400 1.00 0.00 C ATOM 34 C ASP A 3 7.185 -8.351 10.094 1.00 0.00 C ATOM 35 O ASP A 3 8.032 -8.940 10.766 1.00 0.00 O ATOM 36 CB ASP A 3 5.553 -10.283 10.250 1.00 0.00 C ATOM 37 CG ASP A 3 6.616 -11.343 10.477 1.00 0.00 C ATOM 38 OD1 ASP A 3 7.115 -11.917 9.489 1.00 0.00 O ATOM 39 OD2 ASP A 3 6.946 -11.615 11.650 1.00 0.00 O ATOM 0 H ASP A 3 6.383 -10.538 7.910 1.00 0.00 H new ATOM 0 HA ASP A 3 5.202 -8.399 9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.211 -9.912 11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.693 -10.742 9.762 1.00 0.00 H new ATOM 43 N GLY A 4 7.304 -7.084 9.752 1.00 0.00 N ATOM 44 CA GLY A 4 8.429 -6.279 10.155 1.00 0.00 C ATOM 45 C GLY A 4 8.151 -4.820 9.886 1.00 0.00 C ATOM 46 O GLY A 4 7.159 -4.492 9.229 1.00 0.00 O ATOM 0 H GLY A 4 6.618 -6.586 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.631 -6.428 11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.322 -6.592 9.614 1.00 0.00 H new ATOM 50 N THR A 5 9.000 -3.941 10.381 1.00 0.00 N ATOM 51 CA THR A 5 8.815 -2.519 10.161 1.00 0.00 C ATOM 52 C THR A 5 9.722 -2.035 9.031 1.00 0.00 C ATOM 53 O THR A 5 10.931 -2.279 9.037 1.00 0.00 O ATOM 54 CB THR A 5 9.111 -1.713 11.443 1.00 0.00 C ATOM 55 OG1 THR A 5 10.380 -2.095 11.990 1.00 0.00 O ATOM 56 CG2 THR A 5 8.030 -1.933 12.487 1.00 0.00 C ATOM 0 H THR A 5 9.821 -4.184 10.936 1.00 0.00 H new ATOM 0 HA THR A 5 7.773 -2.358 9.884 1.00 0.00 H new ATOM 0 HB THR A 5 9.132 -0.657 11.174 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.809 -1.314 12.397 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.263 -1.353 13.380 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.068 -1.612 12.088 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.982 -2.991 12.744 1.00 0.00 H new ATOM 64 N TRP A 6 9.122 -1.388 8.039 1.00 0.00 N ATOM 65 CA TRP A 6 9.865 -0.869 6.898 1.00 0.00 C ATOM 66 C TRP A 6 9.517 0.598 6.734 1.00 0.00 C ATOM 67 O TRP A 6 8.455 0.926 6.210 1.00 0.00 O ATOM 68 CB TRP A 6 9.484 -1.596 5.590 1.00 0.00 C ATOM 69 CG TRP A 6 9.521 -3.105 5.619 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.012 -3.938 6.576 1.00 0.00 C ATOM 71 CD2 TRP A 6 10.052 -3.957 4.596 1.00 0.00 C ATOM 72 NE1 TRP A 6 9.214 -5.249 6.220 1.00 0.00 N ATOM 73 CE2 TRP A 6 9.853 -5.287 5.011 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.688 -3.722 3.373 1.00 0.00 C ATOM 75 CZ2 TRP A 6 10.260 -6.375 4.244 1.00 0.00 C ATOM 76 CZ3 TRP A 6 11.089 -4.803 2.613 1.00 0.00 C ATOM 77 CH2 TRP A 6 10.875 -6.115 3.051 1.00 0.00 C ATOM 0 H TRP A 6 8.118 -1.210 8.002 1.00 0.00 H new ATOM 0 HA TRP A 6 10.928 -1.020 7.084 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.478 -1.285 5.308 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.155 -1.254 4.802 1.00 0.00 H new ATOM 0 HD1 TRP A 6 8.522 -3.612 7.481 1.00 0.00 H new ATOM 0 HE1 TRP A 6 8.933 -6.062 6.768 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.862 -2.713 3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 10.096 -7.388 4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.576 -4.633 1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.202 -6.939 2.434 1.00 0.00 H new ATOM 87 N LYS A 7 10.379 1.482 7.200 1.00 0.00 N ATOM 88 CA LYS A 7 10.082 2.898 7.138 1.00 0.00 C ATOM 89 C LYS A 7 11.314 3.743 7.453 1.00 0.00 C ATOM 90 O LYS A 7 12.342 3.237 7.905 1.00 0.00 O ATOM 91 CB LYS A 7 8.914 3.234 8.078 1.00 0.00 C ATOM 92 CG LYS A 7 8.426 4.672 7.980 1.00 0.00 C ATOM 93 CD LYS A 7 8.082 5.071 6.553 1.00 0.00 C ATOM 94 CE LYS A 7 6.704 4.595 6.143 1.00 0.00 C ATOM 95 NZ LYS A 7 5.613 5.311 6.856 1.00 0.00 N ATOM 0 H LYS A 7 11.279 1.248 7.620 1.00 0.00 H new ATOM 0 HA LYS A 7 9.784 3.142 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.082 2.565 7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.221 3.036 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.547 4.798 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.195 5.341 8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.133 6.156 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.825 4.656 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.582 4.732 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.620 3.526 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.706 4.837 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.803 5.303 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.566 6.294 6.520 1.00 0.00 H new ATOM 105 N VAL A 8 11.181 5.032 7.189 1.00 0.00 N ATOM 106 CA VAL A 8 12.213 6.018 7.430 1.00 0.00 C ATOM 107 C VAL A 8 11.906 6.759 8.734 1.00 0.00 C ATOM 108 O VAL A 8 10.734 6.917 9.090 1.00 0.00 O ATOM 109 CB VAL A 8 12.243 7.024 6.257 1.00 0.00 C ATOM 110 CG1 VAL A 8 13.247 8.142 6.506 1.00 0.00 C ATOM 111 CG2 VAL A 8 12.554 6.308 4.951 1.00 0.00 C ATOM 0 H VAL A 8 10.330 5.428 6.791 1.00 0.00 H new ATOM 0 HA VAL A 8 13.182 5.526 7.510 1.00 0.00 H new ATOM 0 HB VAL A 8 11.255 7.478 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.242 8.831 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.975 8.680 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.244 7.717 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.571 7.031 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.526 5.821 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.787 5.558 4.755 1.00 0.00 H new ATOM 121 N GLY A 9 12.952 7.087 9.492 1.00 0.00 N ATOM 122 CA GLY A 9 12.786 7.695 10.807 1.00 0.00 C ATOM 123 C GLY A 9 11.834 8.878 10.809 1.00 0.00 C ATOM 124 O GLY A 9 11.857 9.711 9.899 1.00 0.00 O ATOM 0 H GLY A 9 13.923 6.941 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.419 6.941 11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.759 8.021 11.174 1.00 0.00 H new ATOM 128 N GLY A 10 10.946 8.905 11.794 1.00 0.00 N ATOM 129 CA GLY A 10 9.919 9.924 11.851 1.00 0.00 C ATOM 130 C GLY A 10 8.568 9.351 11.489 1.00 0.00 C ATOM 131 O GLY A 10 7.546 9.687 12.089 1.00 0.00 O ATOM 0 H GLY A 10 10.920 8.232 12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.880 10.351 12.853 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.169 10.736 11.168 1.00 0.00 H new ATOM 135 N LEU A 11 8.593 8.419 10.557 1.00 0.00 N ATOM 136 CA LEU A 11 7.411 7.682 10.149 1.00 0.00 C ATOM 137 C LEU A 11 7.545 6.246 10.624 1.00 0.00 C ATOM 138 O LEU A 11 8.635 5.819 11.016 1.00 0.00 O ATOM 139 CB LEU A 11 7.255 7.704 8.629 1.00 0.00 C ATOM 140 CG LEU A 11 7.439 9.063 7.955 1.00 0.00 C ATOM 141 CD1 LEU A 11 7.246 8.932 6.454 1.00 0.00 C ATOM 142 CD2 LEU A 11 6.478 10.093 8.530 1.00 0.00 C ATOM 0 H LEU A 11 9.440 8.149 10.057 1.00 0.00 H new ATOM 0 HA LEU A 11 6.530 8.148 10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.975 7.008 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.262 7.329 8.380 1.00 0.00 H new ATOM 0 HG LEU A 11 8.454 9.408 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.379 9.906 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.979 8.232 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.241 8.564 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.631 11.051 8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.452 9.761 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.662 10.206 9.598 1.00 0.00 H new ATOM 153 N LYS A 12 6.468 5.488 10.540 1.00 0.00 N ATOM 154 CA LYS A 12 6.510 4.077 10.884 1.00 0.00 C ATOM 155 C LYS A 12 5.621 3.285 9.939 1.00 0.00 C ATOM 156 O LYS A 12 4.666 3.822 9.375 1.00 0.00 O ATOM 157 CB LYS A 12 6.094 3.853 12.343 1.00 0.00 C ATOM 158 CG LYS A 12 4.693 4.336 12.671 1.00 0.00 C ATOM 159 CD LYS A 12 4.429 4.322 14.167 1.00 0.00 C ATOM 160 CE LYS A 12 3.073 4.928 14.498 1.00 0.00 C ATOM 161 NZ LYS A 12 2.829 4.984 15.963 1.00 0.00 N ATOM 0 H LYS A 12 5.554 5.824 10.237 1.00 0.00 H new ATOM 0 HA LYS A 12 7.536 3.725 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.162 2.789 12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.804 4.363 12.994 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.558 5.347 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.963 3.703 12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.471 3.297 14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.213 4.878 14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.015 5.934 14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.288 4.340 14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.895 5.403 16.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.859 4.022 16.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.563 5.566 16.415 1.00 0.00 H new ATOM 171 N LEU A 13 6.020 2.054 9.673 1.00 0.00 N ATOM 172 CA LEU A 13 5.306 1.185 8.755 1.00 0.00 C ATOM 173 C LEU A 13 5.573 -0.250 9.171 1.00 0.00 C ATOM 174 O LEU A 13 6.658 -0.558 9.658 1.00 0.00 O ATOM 175 CB LEU A 13 5.753 1.439 7.305 1.00 0.00 C ATOM 176 CG LEU A 13 4.718 1.124 6.213 1.00 0.00 C ATOM 177 CD1 LEU A 13 5.151 1.706 4.875 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.511 -0.374 6.071 1.00 0.00 C ATOM 0 H LEU A 13 6.849 1.628 10.088 1.00 0.00 H new ATOM 0 HA LEU A 13 4.236 1.388 8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.041 2.486 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.646 0.845 7.112 1.00 0.00 H new ATOM 0 HG LEU A 13 3.776 1.582 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.404 1.471 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.250 2.788 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.110 1.277 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.774 -0.567 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.455 -0.848 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.155 -0.783 7.016 1.00 0.00 H new ATOM 189 N THR A 14 4.542 -1.071 9.155 1.00 0.00 N ATOM 190 CA THR A 14 4.639 -2.419 9.672 1.00 0.00 C ATOM 191 C THR A 14 3.713 -3.344 8.906 1.00 0.00 C ATOM 192 O THR A 14 2.519 -3.083 8.780 1.00 0.00 O ATOM 193 CB THR A 14 4.269 -2.467 11.170 1.00 0.00 C ATOM 194 OG1 THR A 14 4.970 -1.435 11.877 1.00 0.00 O ATOM 195 CG2 THR A 14 4.608 -3.822 11.777 1.00 0.00 C ATOM 0 H THR A 14 3.623 -0.825 8.787 1.00 0.00 H new ATOM 0 HA THR A 14 5.672 -2.746 9.550 1.00 0.00 H new ATOM 0 HB THR A 14 3.194 -2.310 11.259 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.731 -1.469 12.827 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.336 -3.826 12.833 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.053 -4.603 11.257 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.677 -4.008 11.677 1.00 0.00 H new ATOM 203 N ILE A 15 4.272 -4.421 8.404 1.00 0.00 N ATOM 204 CA ILE A 15 3.502 -5.420 7.695 1.00 0.00 C ATOM 205 C ILE A 15 3.403 -6.662 8.565 1.00 0.00 C ATOM 206 O ILE A 15 4.284 -6.911 9.382 1.00 0.00 O ATOM 207 CB ILE A 15 4.140 -5.790 6.332 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.332 -4.550 5.448 1.00 0.00 C ATOM 209 CG2 ILE A 15 3.290 -6.817 5.597 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.624 -3.802 5.704 1.00 0.00 C ATOM 0 H ILE A 15 5.268 -4.630 8.474 1.00 0.00 H new ATOM 0 HA ILE A 15 2.514 -5.009 7.489 1.00 0.00 H new ATOM 0 HB ILE A 15 5.119 -6.221 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.302 -4.855 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.494 -3.871 5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.758 -7.061 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.206 -7.720 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.296 -6.406 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.683 -2.940 5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.650 -3.464 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.470 -4.463 5.517 1.00 0.00 H new ATOM 221 N THR A 16 2.307 -7.386 8.457 1.00 0.00 N ATOM 222 CA THR A 16 2.097 -8.588 9.252 1.00 0.00 C ATOM 223 C THR A 16 1.113 -9.496 8.524 1.00 0.00 C ATOM 224 O THR A 16 0.292 -9.010 7.741 1.00 0.00 O ATOM 225 CB THR A 16 1.555 -8.247 10.663 1.00 0.00 C ATOM 226 OG1 THR A 16 2.415 -7.292 11.306 1.00 0.00 O ATOM 227 CG2 THR A 16 1.456 -9.491 11.530 1.00 0.00 C ATOM 0 H THR A 16 1.540 -7.164 7.822 1.00 0.00 H new ATOM 0 HA THR A 16 3.054 -9.094 9.379 1.00 0.00 H new ATOM 0 HB THR A 16 0.558 -7.824 10.542 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.063 -7.082 12.196 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.073 -9.219 12.514 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.781 -10.207 11.063 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.444 -9.940 11.637 1.00 0.00 H new ATOM 235 N GLN A 17 1.281 -10.809 8.663 1.00 0.00 N ATOM 236 CA GLN A 17 0.442 -11.749 7.940 1.00 0.00 C ATOM 237 C GLN A 17 0.107 -12.974 8.780 1.00 0.00 C ATOM 238 O GLN A 17 0.989 -13.706 9.226 1.00 0.00 O ATOM 239 CB GLN A 17 1.104 -12.185 6.621 1.00 0.00 C ATOM 240 CG GLN A 17 2.535 -12.694 6.760 1.00 0.00 C ATOM 241 CD GLN A 17 3.582 -11.596 6.641 1.00 0.00 C ATOM 242 OE1 GLN A 17 4.775 -11.835 6.826 1.00 0.00 O ATOM 243 NE2 GLN A 17 3.149 -10.388 6.317 1.00 0.00 N ATOM 0 H GLN A 17 1.984 -11.239 9.264 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.488 -11.228 7.713 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.497 -12.969 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.099 -11.340 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.645 -13.187 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.721 -13.447 5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.153 -10.226 6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.812 -9.620 6.213 1.00 0.00 H new ATOM 250 N GLU A 18 -1.182 -13.241 8.900 1.00 0.00 N ATOM 251 CA GLU A 18 -1.665 -14.452 9.543 1.00 0.00 C ATOM 252 C GLU A 18 -1.906 -15.523 8.486 1.00 0.00 C ATOM 253 O GLU A 18 -2.947 -15.534 7.826 1.00 0.00 O ATOM 254 CB GLU A 18 -2.944 -14.165 10.337 1.00 0.00 C ATOM 255 CG GLU A 18 -3.906 -13.222 9.629 1.00 0.00 C ATOM 256 CD GLU A 18 -5.237 -13.103 10.336 1.00 0.00 C ATOM 257 OE1 GLU A 18 -5.964 -14.115 10.416 1.00 0.00 O ATOM 258 OE2 GLU A 18 -5.568 -11.998 10.817 1.00 0.00 O ATOM 0 H GLU A 18 -1.921 -12.628 8.556 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.914 -14.813 10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.455 -15.107 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.673 -13.736 11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.450 -12.235 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.071 -13.575 8.611 1.00 0.00 H new ATOM 263 N GLY A 19 -0.860 -16.276 8.183 1.00 0.00 N ATOM 264 CA GLY A 19 -0.912 -17.168 7.047 1.00 0.00 C ATOM 265 C GLY A 19 -0.791 -16.387 5.760 1.00 0.00 C ATOM 266 O GLY A 19 0.212 -15.702 5.546 1.00 0.00 O ATOM 0 H GLY A 19 0.019 -16.285 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.107 -17.899 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.849 -17.724 7.056 1.00 0.00 H new ATOM 270 N ASN A 20 -1.892 -16.274 5.040 1.00 0.00 N ATOM 271 CA ASN A 20 -1.950 -15.338 3.930 1.00 0.00 C ATOM 272 C ASN A 20 -3.054 -14.331 4.185 1.00 0.00 C ATOM 273 O ASN A 20 -4.203 -14.536 3.801 1.00 0.00 O ATOM 274 CB ASN A 20 -2.197 -16.076 2.612 1.00 0.00 C ATOM 275 CG ASN A 20 -0.951 -16.753 2.078 1.00 0.00 C ATOM 276 OD1 ASN A 20 -0.254 -17.458 2.804 1.00 0.00 O ATOM 277 ND2 ASN A 20 -0.676 -16.566 0.799 1.00 0.00 N ATOM 0 H ASN A 20 -2.746 -16.809 5.199 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.995 -14.819 3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.977 -16.823 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.569 -15.370 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.140 -17.015 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.279 -15.973 0.229 1.00 0.00 H new ATOM 283 N LYS A 21 -2.642 -13.202 4.735 1.00 0.00 N ATOM 284 CA LYS A 21 -3.494 -12.051 5.026 1.00 0.00 C ATOM 285 C LYS A 21 -2.554 -10.908 5.352 1.00 0.00 C ATOM 286 O LYS A 21 -1.889 -10.951 6.382 1.00 0.00 O ATOM 287 CB LYS A 21 -4.397 -12.294 6.251 1.00 0.00 C ATOM 288 CG LYS A 21 -5.433 -13.397 6.090 1.00 0.00 C ATOM 289 CD LYS A 21 -6.694 -12.909 5.407 1.00 0.00 C ATOM 290 CE LYS A 21 -7.465 -11.939 6.284 1.00 0.00 C ATOM 291 NZ LYS A 21 -8.792 -11.607 5.706 1.00 0.00 N ATOM 0 H LYS A 21 -1.669 -13.051 5.003 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.143 -11.850 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.764 -12.535 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.915 -11.365 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.003 -14.214 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.687 -13.800 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.434 -12.423 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.328 -13.761 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.599 -12.373 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.885 -11.025 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.746 -10.677 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.057 -12.330 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.504 -11.581 6.464 1.00 0.00 H new ATOM 301 N PHE A 22 -2.366 -9.984 4.439 1.00 0.00 N ATOM 302 CA PHE A 22 -1.347 -8.969 4.642 1.00 0.00 C ATOM 303 C PHE A 22 -1.959 -7.642 5.036 1.00 0.00 C ATOM 304 O PHE A 22 -2.749 -7.062 4.299 1.00 0.00 O ATOM 305 CB PHE A 22 -0.478 -8.808 3.391 1.00 0.00 C ATOM 306 CG PHE A 22 0.554 -9.892 3.221 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.188 -11.229 3.187 1.00 0.00 C ATOM 308 CD2 PHE A 22 1.895 -9.568 3.092 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.139 -12.220 3.028 1.00 0.00 C ATOM 310 CE2 PHE A 22 2.850 -10.552 2.934 1.00 0.00 C ATOM 311 CZ PHE A 22 2.472 -11.881 2.902 1.00 0.00 C ATOM 0 H PHE A 22 -2.889 -9.909 3.566 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.712 -9.303 5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.123 -8.793 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.027 -7.843 3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.853 -11.500 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.197 -8.531 3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.840 -13.257 3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.891 -10.284 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.217 -12.653 2.779 1.00 0.00 H new ATOM 320 N THR A 23 -1.545 -7.146 6.187 1.00 0.00 N ATOM 321 CA THR A 23 -1.980 -5.847 6.650 1.00 0.00 C ATOM 322 C THR A 23 -0.788 -4.899 6.683 1.00 0.00 C ATOM 323 O THR A 23 0.333 -5.308 7.003 1.00 0.00 O ATOM 324 CB THR A 23 -2.642 -5.929 8.050 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.226 -4.666 8.400 1.00 0.00 O ATOM 326 CG2 THR A 23 -1.634 -6.335 9.118 1.00 0.00 C ATOM 0 H THR A 23 -0.905 -7.628 6.819 1.00 0.00 H new ATOM 0 HA THR A 23 -2.732 -5.470 5.957 1.00 0.00 H new ATOM 0 HB THR A 23 -3.420 -6.691 8.002 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.642 -4.732 9.285 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.130 -6.383 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.219 -7.313 8.874 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.830 -5.600 9.158 1.00 0.00 H new ATOM 334 N VAL A 24 -1.013 -3.668 6.258 1.00 0.00 N ATOM 335 CA VAL A 24 0.044 -2.678 6.196 1.00 0.00 C ATOM 336 C VAL A 24 -0.271 -1.517 7.125 1.00 0.00 C ATOM 337 O VAL A 24 -1.360 -0.950 7.073 1.00 0.00 O ATOM 338 CB VAL A 24 0.242 -2.152 4.754 1.00 0.00 C ATOM 339 CG1 VAL A 24 1.260 -1.022 4.714 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.673 -3.282 3.833 1.00 0.00 C ATOM 0 H VAL A 24 -1.925 -3.330 5.949 1.00 0.00 H new ATOM 0 HA VAL A 24 0.969 -3.159 6.514 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.713 -1.758 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.377 -0.674 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.914 -0.199 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.219 -1.383 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.808 -2.896 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.613 -3.703 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.093 -4.058 3.826 1.00 0.00 H new ATOM 350 N LYS A 25 0.680 -1.189 7.979 1.00 0.00 N ATOM 351 CA LYS A 25 0.521 -0.110 8.940 1.00 0.00 C ATOM 352 C LYS A 25 1.263 1.118 8.443 1.00 0.00 C ATOM 353 O LYS A 25 2.485 1.115 8.373 1.00 0.00 O ATOM 354 CB LYS A 25 1.090 -0.547 10.292 1.00 0.00 C ATOM 355 CG LYS A 25 1.040 0.524 11.369 1.00 0.00 C ATOM 356 CD LYS A 25 1.815 0.087 12.602 1.00 0.00 C ATOM 357 CE LYS A 25 1.729 1.110 13.720 1.00 0.00 C ATOM 358 NZ LYS A 25 2.393 0.621 14.959 1.00 0.00 N ATOM 0 H LYS A 25 1.583 -1.661 8.028 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.536 0.129 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.539 -1.421 10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.125 -0.858 10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.457 1.454 10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.004 0.727 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.427 -0.869 12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.860 -0.072 12.336 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.196 2.041 13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.683 1.334 13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.316 1.344 15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.931 -0.254 15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.397 0.431 14.763 1.00 0.00 H new ATOM 368 N GLU A 26 0.521 2.114 7.996 1.00 0.00 N ATOM 369 CA GLU A 26 1.126 3.290 7.396 1.00 0.00 C ATOM 370 C GLU A 26 0.962 4.523 8.279 1.00 0.00 C ATOM 371 O GLU A 26 -0.136 5.060 8.414 1.00 0.00 O ATOM 372 CB GLU A 26 0.508 3.544 6.015 1.00 0.00 C ATOM 373 CG GLU A 26 0.882 4.885 5.393 1.00 0.00 C ATOM 374 CD GLU A 26 2.361 5.022 5.087 1.00 0.00 C ATOM 375 OE1 GLU A 26 3.181 4.970 6.027 1.00 0.00 O ATOM 376 OE2 GLU A 26 2.706 5.221 3.909 1.00 0.00 O ATOM 0 H GLU A 26 -0.498 2.133 8.036 1.00 0.00 H new ATOM 0 HA GLU A 26 2.194 3.101 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.817 2.746 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.577 3.487 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.315 5.019 4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.584 5.686 6.070 1.00 0.00 H new ATOM 381 N SER A 27 2.088 5.076 8.702 1.00 0.00 N ATOM 382 CA SER A 27 2.098 6.367 9.363 1.00 0.00 C ATOM 383 C SER A 27 3.034 7.294 8.607 1.00 0.00 C ATOM 384 O SER A 27 4.236 7.035 8.522 1.00 0.00 O ATOM 385 CB SER A 27 2.574 6.235 10.806 1.00 0.00 C ATOM 386 OG SER A 27 1.969 5.128 11.440 1.00 0.00 O ATOM 0 H SER A 27 3.008 4.648 8.598 1.00 0.00 H new ATOM 0 HA SER A 27 1.085 6.770 9.371 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.658 6.122 10.826 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.338 7.147 11.355 1.00 0.00 H new ATOM 0 HG SER A 27 1.110 4.934 11.010 1.00 0.00 H new ATOM 391 N SER A 28 2.479 8.345 8.035 1.00 0.00 N ATOM 392 CA SER A 28 3.256 9.289 7.255 1.00 0.00 C ATOM 393 C SER A 28 2.592 10.657 7.283 1.00 0.00 C ATOM 394 O SER A 28 1.365 10.751 7.297 1.00 0.00 O ATOM 395 CB SER A 28 3.409 8.798 5.808 1.00 0.00 C ATOM 396 OG SER A 28 4.153 7.587 5.750 1.00 0.00 O ATOM 0 H SER A 28 1.486 8.568 8.097 1.00 0.00 H new ATOM 0 HA SER A 28 4.250 9.370 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.424 8.644 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.908 9.563 5.213 1.00 0.00 H new ATOM 0 HG SER A 28 4.233 7.297 4.817 1.00 0.00 H new ATOM 401 N ASN A 29 3.417 11.698 7.340 1.00 0.00 N ATOM 402 CA ASN A 29 2.963 13.089 7.397 1.00 0.00 C ATOM 403 C ASN A 29 2.248 13.398 8.715 1.00 0.00 C ATOM 404 O ASN A 29 2.814 14.065 9.585 1.00 0.00 O ATOM 405 CB ASN A 29 2.056 13.432 6.208 1.00 0.00 C ATOM 406 CG ASN A 29 1.796 14.923 6.098 1.00 0.00 C ATOM 407 OD1 ASN A 29 2.725 15.718 5.954 1.00 0.00 O ATOM 408 ND2 ASN A 29 0.536 15.316 6.175 1.00 0.00 N ATOM 0 H ASN A 29 4.432 11.601 7.348 1.00 0.00 H new ATOM 0 HA ASN A 29 3.854 13.714 7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.517 13.076 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.107 12.906 6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.307 16.308 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.207 14.627 6.294 1.00 0.00 H new ATOM 414 N PHE A 30 1.033 12.878 8.886 1.00 0.00 N ATOM 415 CA PHE A 30 0.277 13.100 10.112 1.00 0.00 C ATOM 416 C PHE A 30 -0.983 12.235 10.134 1.00 0.00 C ATOM 417 O PHE A 30 -2.062 12.696 10.505 1.00 0.00 O ATOM 418 CB PHE A 30 -0.098 14.584 10.250 1.00 0.00 C ATOM 419 CG PHE A 30 -0.581 14.965 11.624 1.00 0.00 C ATOM 420 CD1 PHE A 30 0.154 14.631 12.750 1.00 0.00 C ATOM 421 CD2 PHE A 30 -1.771 15.658 11.786 1.00 0.00 C ATOM 422 CE1 PHE A 30 -0.288 14.978 14.011 1.00 0.00 C ATOM 423 CE2 PHE A 30 -2.219 16.007 13.047 1.00 0.00 C ATOM 424 CZ PHE A 30 -1.476 15.666 14.161 1.00 0.00 C ATOM 0 H PHE A 30 0.555 12.303 8.192 1.00 0.00 H new ATOM 0 HA PHE A 30 0.906 12.817 10.956 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.770 15.193 9.999 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.875 14.822 9.523 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.084 14.093 12.640 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.354 15.928 10.918 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.295 14.711 14.880 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.148 16.545 13.161 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.824 15.937 15.147 1.00 0.00 H new ATOM 433 N ARG A 31 -0.829 10.955 9.821 1.00 0.00 N ATOM 434 CA ARG A 31 -1.939 10.018 9.923 1.00 0.00 C ATOM 435 C ARG A 31 -1.443 8.577 9.846 1.00 0.00 C ATOM 436 O ARG A 31 -0.669 8.217 8.953 1.00 0.00 O ATOM 437 CB ARG A 31 -3.012 10.279 8.843 1.00 0.00 C ATOM 438 CG ARG A 31 -2.640 9.831 7.433 1.00 0.00 C ATOM 439 CD ARG A 31 -1.574 10.713 6.806 1.00 0.00 C ATOM 440 NE ARG A 31 -1.208 10.273 5.456 1.00 0.00 N ATOM 441 CZ ARG A 31 -0.654 9.093 5.160 1.00 0.00 C ATOM 442 NH1 ARG A 31 -0.381 8.209 6.115 1.00 0.00 N ATOM 443 NH2 ARG A 31 -0.373 8.803 3.898 1.00 0.00 N ATOM 0 H ARG A 31 0.047 10.545 9.497 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.405 10.175 10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.931 9.772 9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.230 11.347 8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.283 8.802 7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.531 9.841 6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.935 11.741 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.687 10.712 7.439 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.390 10.916 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.594 8.427 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.042 7.312 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.579 9.478 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.050 7.905 3.663 1.00 0.00 H new ATOM 454 N ASN A 32 -1.927 7.755 10.764 1.00 0.00 N ATOM 455 CA ASN A 32 -1.605 6.337 10.780 1.00 0.00 C ATOM 456 C ASN A 32 -2.831 5.530 10.379 1.00 0.00 C ATOM 457 O ASN A 32 -3.916 5.717 10.931 1.00 0.00 O ATOM 458 CB ASN A 32 -1.116 5.915 12.167 1.00 0.00 C ATOM 459 CG ASN A 32 -1.065 4.408 12.337 1.00 0.00 C ATOM 460 OD1 ASN A 32 -0.429 3.698 11.560 1.00 0.00 O ATOM 461 ND2 ASN A 32 -1.729 3.913 13.367 1.00 0.00 N ATOM 0 H ASN A 32 -2.551 8.050 11.515 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.805 6.146 10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.123 6.330 12.339 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.775 6.340 12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.726 2.908 13.540 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.245 4.536 13.989 1.00 0.00 H new ATOM 467 N ILE A 33 -2.674 4.689 9.375 1.00 0.00 N ATOM 468 CA ILE A 33 -3.792 3.936 8.833 1.00 0.00 C ATOM 469 C ILE A 33 -3.336 2.560 8.357 1.00 0.00 C ATOM 470 O ILE A 33 -2.268 2.420 7.759 1.00 0.00 O ATOM 471 CB ILE A 33 -4.465 4.709 7.671 1.00 0.00 C ATOM 472 CG1 ILE A 33 -5.649 3.922 7.107 1.00 0.00 C ATOM 473 CG2 ILE A 33 -3.460 5.032 6.572 1.00 0.00 C ATOM 474 CD1 ILE A 33 -6.786 3.754 8.090 1.00 0.00 C ATOM 0 H ILE A 33 -1.781 4.509 8.916 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.525 3.803 9.629 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.841 5.651 8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.021 4.429 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.303 2.937 6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.960 5.574 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.658 5.647 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.042 4.106 6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.591 3.187 7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.430 3.220 8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.158 4.735 8.387 1.00 0.00 H new ATOM 485 N ASP A 34 -4.115 1.538 8.685 1.00 0.00 N ATOM 486 CA ASP A 34 -3.776 0.174 8.311 1.00 0.00 C ATOM 487 C ASP A 34 -4.650 -0.283 7.157 1.00 0.00 C ATOM 488 O ASP A 34 -5.851 -0.006 7.126 1.00 0.00 O ATOM 489 CB ASP A 34 -3.954 -0.801 9.479 1.00 0.00 C ATOM 490 CG ASP A 34 -3.227 -0.382 10.741 1.00 0.00 C ATOM 491 OD1 ASP A 34 -3.651 0.605 11.384 1.00 0.00 O ATOM 492 OD2 ASP A 34 -2.244 -1.051 11.115 1.00 0.00 O ATOM 0 H ASP A 34 -4.985 1.629 9.209 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.726 0.174 8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.017 -0.900 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.598 -1.786 9.176 1.00 0.00 H new ATOM 496 N VAL A 35 -4.058 -1.020 6.235 1.00 0.00 N ATOM 497 CA VAL A 35 -4.795 -1.580 5.113 1.00 0.00 C ATOM 498 C VAL A 35 -4.528 -3.077 5.019 1.00 0.00 C ATOM 499 O VAL A 35 -3.385 -3.497 4.844 1.00 0.00 O ATOM 500 CB VAL A 35 -4.399 -0.911 3.775 1.00 0.00 C ATOM 501 CG1 VAL A 35 -5.236 -1.463 2.628 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.537 0.603 3.860 1.00 0.00 C ATOM 0 H VAL A 35 -3.063 -1.247 6.240 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.855 -1.393 5.288 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.352 -1.144 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.941 -0.979 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.076 -2.538 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.291 -1.267 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.253 1.048 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.571 0.862 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.886 0.984 4.647 1.00 0.00 H new ATOM 512 N VAL A 36 -5.571 -3.877 5.167 1.00 0.00 N ATOM 513 CA VAL A 36 -5.427 -5.323 5.105 1.00 0.00 C ATOM 514 C VAL A 36 -5.955 -5.854 3.774 1.00 0.00 C ATOM 515 O VAL A 36 -6.938 -5.338 3.233 1.00 0.00 O ATOM 516 CB VAL A 36 -6.143 -6.025 6.286 1.00 0.00 C ATOM 517 CG1 VAL A 36 -7.649 -5.816 6.223 1.00 0.00 C ATOM 518 CG2 VAL A 36 -5.801 -7.507 6.321 1.00 0.00 C ATOM 0 H VAL A 36 -6.524 -3.552 5.330 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.364 -5.550 5.183 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.785 -5.571 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.122 -6.321 7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.871 -4.750 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.035 -6.228 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.315 -7.979 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.118 -7.976 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.724 -7.629 6.440 1.00 0.00 H new ATOM 528 N PHE A 37 -5.246 -6.819 3.209 1.00 0.00 N ATOM 529 CA PHE A 37 -5.587 -7.366 1.907 1.00 0.00 C ATOM 530 C PHE A 37 -5.140 -8.815 1.789 1.00 0.00 C ATOM 531 O PHE A 37 -4.130 -9.223 2.369 1.00 0.00 O ATOM 532 CB PHE A 37 -4.961 -6.525 0.787 1.00 0.00 C ATOM 533 CG PHE A 37 -3.496 -6.247 0.970 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.542 -7.122 0.479 1.00 0.00 C ATOM 535 CD2 PHE A 37 -3.075 -5.111 1.642 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.195 -6.869 0.652 1.00 0.00 C ATOM 537 CE2 PHE A 37 -1.732 -4.853 1.820 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.789 -5.733 1.324 1.00 0.00 C ATOM 0 H PHE A 37 -4.423 -7.242 3.638 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.672 -7.334 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.106 -7.040 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.494 -5.576 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.855 -8.013 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.807 -4.419 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.461 -7.558 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.418 -3.964 2.347 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.263 -5.533 1.462 1.00 0.00 H new ATOM 547 N GLU A 38 -5.924 -9.588 1.066 1.00 0.00 N ATOM 548 CA GLU A 38 -5.641 -10.991 0.841 1.00 0.00 C ATOM 549 C GLU A 38 -5.099 -11.156 -0.573 1.00 0.00 C ATOM 550 O GLU A 38 -5.437 -10.371 -1.460 1.00 0.00 O ATOM 551 CB GLU A 38 -6.913 -11.809 1.044 1.00 0.00 C ATOM 552 CG GLU A 38 -7.598 -11.513 2.366 1.00 0.00 C ATOM 553 CD GLU A 38 -9.013 -12.039 2.434 1.00 0.00 C ATOM 554 OE1 GLU A 38 -9.842 -11.645 1.588 1.00 0.00 O ATOM 555 OE2 GLU A 38 -9.312 -12.819 3.362 1.00 0.00 O ATOM 0 H GLU A 38 -6.779 -9.260 0.616 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.895 -11.350 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.605 -11.604 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.669 -12.870 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.015 -11.951 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.610 -10.435 2.529 1.00 0.00 H new ATOM 560 N LEU A 39 -4.162 -12.071 -0.745 1.00 0.00 N ATOM 561 CA LEU A 39 -3.472 -12.220 -2.019 1.00 0.00 C ATOM 562 C LEU A 39 -4.437 -12.624 -3.135 1.00 0.00 C ATOM 563 O LEU A 39 -4.964 -13.738 -3.149 1.00 0.00 O ATOM 564 CB LEU A 39 -2.338 -13.249 -1.904 1.00 0.00 C ATOM 565 CG LEU A 39 -1.122 -12.815 -1.073 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.437 -12.826 0.414 1.00 0.00 C ATOM 567 CD2 LEU A 39 0.070 -13.713 -1.371 1.00 0.00 C ATOM 0 H LEU A 39 -3.860 -12.723 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.045 -11.250 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.744 -14.162 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.997 -13.499 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.871 -11.792 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.556 -12.514 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.258 -12.139 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.723 -13.833 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.925 -13.393 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.180 -14.744 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.321 -13.645 -2.430 1.00 0.00 H new ATOM 578 N GLY A 40 -4.642 -11.710 -4.076 1.00 0.00 N ATOM 579 CA GLY A 40 -5.517 -11.962 -5.204 1.00 0.00 C ATOM 580 C GLY A 40 -6.982 -11.870 -4.840 1.00 0.00 C ATOM 581 O GLY A 40 -7.804 -12.629 -5.355 1.00 0.00 O ATOM 0 H GLY A 40 -4.210 -10.786 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.298 -11.245 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.308 -12.954 -5.606 1.00 0.00 H new ATOM 585 N VAL A 41 -7.322 -10.929 -3.971 1.00 0.00 N ATOM 586 CA VAL A 41 -8.703 -10.749 -3.550 1.00 0.00 C ATOM 587 C VAL A 41 -9.143 -9.302 -3.761 1.00 0.00 C ATOM 588 O VAL A 41 -8.337 -8.377 -3.651 1.00 0.00 O ATOM 589 CB VAL A 41 -8.897 -11.158 -2.070 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.329 -10.920 -1.613 1.00 0.00 C ATOM 591 CG2 VAL A 41 -8.518 -12.619 -1.866 1.00 0.00 C ATOM 0 H VAL A 41 -6.661 -10.279 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.326 -11.399 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.240 -10.534 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.432 -11.217 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.572 -9.862 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.010 -11.510 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.661 -12.889 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.149 -13.249 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.473 -12.765 -2.139 1.00 0.00 H new ATOM 601 N ASP A 42 -10.414 -9.125 -4.108 1.00 0.00 N ATOM 602 CA ASP A 42 -10.972 -7.802 -4.372 1.00 0.00 C ATOM 603 C ASP A 42 -11.782 -7.327 -3.177 1.00 0.00 C ATOM 604 O ASP A 42 -12.421 -8.128 -2.489 1.00 0.00 O ATOM 605 CB ASP A 42 -11.845 -7.824 -5.637 1.00 0.00 C ATOM 606 CG ASP A 42 -13.092 -8.683 -5.504 1.00 0.00 C ATOM 607 OD1 ASP A 42 -14.031 -8.285 -4.786 1.00 0.00 O ATOM 608 OD2 ASP A 42 -13.141 -9.765 -6.131 1.00 0.00 O ATOM 0 H ASP A 42 -11.082 -9.888 -4.214 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.149 -7.106 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.142 -6.804 -5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.249 -8.191 -6.473 1.00 0.00 H new ATOM 612 N PHE A 43 -11.637 -6.056 -2.846 1.00 0.00 N ATOM 613 CA PHE A 43 -12.237 -5.513 -1.640 1.00 0.00 C ATOM 614 C PHE A 43 -12.402 -4.000 -1.741 1.00 0.00 C ATOM 615 O PHE A 43 -11.636 -3.320 -2.427 1.00 0.00 O ATOM 616 CB PHE A 43 -11.384 -5.886 -0.418 1.00 0.00 C ATOM 617 CG PHE A 43 -9.942 -5.475 -0.531 1.00 0.00 C ATOM 618 CD1 PHE A 43 -9.024 -6.290 -1.173 1.00 0.00 C ATOM 619 CD2 PHE A 43 -9.502 -4.282 0.013 1.00 0.00 C ATOM 620 CE1 PHE A 43 -7.699 -5.921 -1.277 1.00 0.00 C ATOM 621 CE2 PHE A 43 -8.177 -3.907 -0.086 1.00 0.00 C ATOM 622 CZ PHE A 43 -7.275 -4.726 -0.733 1.00 0.00 C ATOM 0 H PHE A 43 -11.108 -5.380 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.230 -5.946 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.815 -5.422 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.433 -6.965 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.350 -7.228 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.203 -3.636 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.995 -6.566 -1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.847 -2.973 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.239 -4.432 -0.814 1.00 0.00 H new ATOM 631 N ALA A 44 -13.421 -3.491 -1.070 1.00 0.00 N ATOM 632 CA ALA A 44 -13.696 -2.067 -1.040 1.00 0.00 C ATOM 633 C ALA A 44 -13.496 -1.534 0.368 1.00 0.00 C ATOM 634 O ALA A 44 -13.758 -2.240 1.348 1.00 0.00 O ATOM 635 CB ALA A 44 -15.111 -1.790 -1.516 1.00 0.00 C ATOM 0 H ALA A 44 -14.080 -4.054 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.004 -1.559 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.301 -0.717 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.229 -2.152 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.820 -2.302 -0.866 1.00 0.00 H new ATOM 641 N TYR A 45 -12.952 -0.335 0.474 1.00 0.00 N ATOM 642 CA TYR A 45 -12.631 0.233 1.773 1.00 0.00 C ATOM 643 C TYR A 45 -12.542 1.748 1.693 1.00 0.00 C ATOM 644 O TYR A 45 -12.107 2.304 0.681 1.00 0.00 O ATOM 645 CB TYR A 45 -11.304 -0.344 2.287 1.00 0.00 C ATOM 646 CG TYR A 45 -10.113 -0.014 1.410 1.00 0.00 C ATOM 647 CD1 TYR A 45 -9.438 1.190 1.546 1.00 0.00 C ATOM 648 CD2 TYR A 45 -9.685 -0.895 0.430 1.00 0.00 C ATOM 649 CE1 TYR A 45 -8.371 1.505 0.734 1.00 0.00 C ATOM 650 CE2 TYR A 45 -8.613 -0.590 -0.385 1.00 0.00 C ATOM 651 CZ TYR A 45 -7.960 0.611 -0.231 1.00 0.00 C ATOM 652 OH TYR A 45 -6.897 0.923 -1.049 1.00 0.00 O ATOM 0 H TYR A 45 -12.724 0.263 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.429 -0.029 2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.119 0.035 3.292 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.396 -1.427 2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.755 1.893 2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.199 -1.836 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.859 2.448 0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.289 -1.291 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.737 0.185 -1.673 1.00 0.00 H new ATOM 661 N SER A 46 -12.872 2.401 2.791 1.00 0.00 N ATOM 662 CA SER A 46 -12.709 3.833 2.902 1.00 0.00 C ATOM 663 C SER A 46 -11.509 4.143 3.788 1.00 0.00 C ATOM 664 O SER A 46 -11.431 3.684 4.930 1.00 0.00 O ATOM 665 CB SER A 46 -13.977 4.472 3.477 1.00 0.00 C ATOM 666 OG SER A 46 -13.779 5.849 3.758 1.00 0.00 O ATOM 0 H SER A 46 -13.257 1.956 3.624 1.00 0.00 H new ATOM 0 HA SER A 46 -12.537 4.250 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.798 4.358 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.268 3.951 4.389 1.00 0.00 H new ATOM 0 HG SER A 46 -14.640 6.267 3.969 1.00 0.00 H new ATOM 671 N LEU A 47 -10.590 4.943 3.272 1.00 0.00 N ATOM 672 CA LEU A 47 -9.435 5.359 4.045 1.00 0.00 C ATOM 673 C LEU A 47 -9.591 6.801 4.499 1.00 0.00 C ATOM 674 O LEU A 47 -9.806 7.697 3.674 1.00 0.00 O ATOM 675 CB LEU A 47 -8.142 5.212 3.246 1.00 0.00 C ATOM 676 CG LEU A 47 -7.669 3.779 3.019 1.00 0.00 C ATOM 677 CD1 LEU A 47 -6.327 3.773 2.306 1.00 0.00 C ATOM 678 CD2 LEU A 47 -7.579 3.023 4.336 1.00 0.00 C ATOM 0 H LEU A 47 -10.623 5.316 2.323 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.375 4.708 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.279 5.689 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.353 5.759 3.761 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.400 3.273 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.002 2.744 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.425 4.272 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.590 4.299 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.240 2.004 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.872 3.525 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.561 2.997 4.809 1.00 0.00 H new ATOM 689 N ALA A 48 -9.498 7.007 5.811 1.00 0.00 N ATOM 690 CA ALA A 48 -9.604 8.333 6.415 1.00 0.00 C ATOM 691 C ALA A 48 -10.909 9.025 6.025 1.00 0.00 C ATOM 692 O ALA A 48 -10.956 10.250 5.889 1.00 0.00 O ATOM 693 CB ALA A 48 -8.402 9.189 6.029 1.00 0.00 C ATOM 0 H ALA A 48 -9.347 6.258 6.486 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.612 8.208 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.495 10.174 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.487 8.711 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.364 9.295 4.945 1.00 0.00 H new ATOM 699 N ASP A 49 -11.967 8.225 5.881 1.00 0.00 N ATOM 700 CA ASP A 49 -13.301 8.724 5.539 1.00 0.00 C ATOM 701 C ASP A 49 -13.254 9.648 4.323 1.00 0.00 C ATOM 702 O ASP A 49 -13.739 10.779 4.363 1.00 0.00 O ATOM 703 CB ASP A 49 -13.928 9.447 6.738 1.00 0.00 C ATOM 704 CG ASP A 49 -15.419 9.667 6.573 1.00 0.00 C ATOM 705 OD1 ASP A 49 -16.161 8.670 6.455 1.00 0.00 O ATOM 706 OD2 ASP A 49 -15.860 10.838 6.574 1.00 0.00 O ATOM 0 H ASP A 49 -11.924 7.213 5.998 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.923 7.866 5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.748 8.866 7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.436 10.410 6.875 1.00 0.00 H new ATOM 710 N GLY A 50 -12.608 9.193 3.261 1.00 0.00 N ATOM 711 CA GLY A 50 -12.469 10.026 2.086 1.00 0.00 C ATOM 712 C GLY A 50 -12.211 9.231 0.828 1.00 0.00 C ATOM 713 O GLY A 50 -12.960 9.334 -0.147 1.00 0.00 O ATOM 0 H GLY A 50 -12.181 8.269 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.376 10.617 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.650 10.729 2.240 1.00 0.00 H new ATOM 717 N THR A 51 -11.169 8.419 0.833 1.00 0.00 N ATOM 718 CA THR A 51 -10.876 7.594 -0.322 1.00 0.00 C ATOM 719 C THR A 51 -11.581 6.254 -0.188 1.00 0.00 C ATOM 720 O THR A 51 -11.236 5.450 0.677 1.00 0.00 O ATOM 721 CB THR A 51 -9.361 7.366 -0.492 1.00 0.00 C ATOM 722 OG1 THR A 51 -8.855 6.608 0.608 1.00 0.00 O ATOM 723 CG2 THR A 51 -8.615 8.687 -0.589 1.00 0.00 C ATOM 0 H THR A 51 -10.520 8.314 1.613 1.00 0.00 H new ATOM 0 HA THR A 51 -11.238 8.119 -1.206 1.00 0.00 H new ATOM 0 HB THR A 51 -9.204 6.814 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.508 5.922 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.549 8.495 -0.708 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.981 9.249 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.780 9.266 0.320 1.00 0.00 H new ATOM 731 N GLU A 52 -12.530 5.987 -1.064 1.00 0.00 N ATOM 732 CA GLU A 52 -13.225 4.721 -1.035 1.00 0.00 C ATOM 733 C GLU A 52 -12.820 3.918 -2.247 1.00 0.00 C ATOM 734 O GLU A 52 -13.264 4.200 -3.360 1.00 0.00 O ATOM 735 CB GLU A 52 -14.737 4.936 -1.018 1.00 0.00 C ATOM 736 CG GLU A 52 -15.216 5.787 0.145 1.00 0.00 C ATOM 737 CD GLU A 52 -16.716 5.986 0.137 1.00 0.00 C ATOM 738 OE1 GLU A 52 -17.370 5.580 -0.849 1.00 0.00 O ATOM 739 OE2 GLU A 52 -17.247 6.571 1.103 1.00 0.00 O ATOM 0 H GLU A 52 -12.834 6.626 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.956 4.179 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.039 5.409 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.233 3.966 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.920 5.316 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.723 6.759 0.107 1.00 0.00 H new ATOM 744 N LEU A 53 -11.841 3.053 -2.061 1.00 0.00 N ATOM 745 CA LEU A 53 -11.274 2.321 -3.177 1.00 0.00 C ATOM 746 C LEU A 53 -11.767 0.878 -3.203 1.00 0.00 C ATOM 747 O LEU A 53 -11.532 0.114 -2.267 1.00 0.00 O ATOM 748 CB LEU A 53 -9.740 2.333 -3.122 1.00 0.00 C ATOM 749 CG LEU A 53 -9.054 3.637 -3.557 1.00 0.00 C ATOM 750 CD1 LEU A 53 -9.294 4.743 -2.550 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.562 3.416 -3.743 1.00 0.00 C ATOM 0 H LEU A 53 -11.424 2.841 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.603 2.822 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.432 2.109 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.369 1.524 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.489 3.942 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.797 5.654 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.365 4.927 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.894 4.446 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.092 4.350 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.124 3.082 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.399 2.658 -4.509 1.00 0.00 H new ATOM 762 N THR A 54 -12.354 0.486 -4.323 1.00 0.00 N ATOM 763 CA THR A 54 -12.739 -0.900 -4.546 1.00 0.00 C ATOM 764 C THR A 54 -11.777 -1.535 -5.539 1.00 0.00 C ATOM 765 O THR A 54 -11.643 -1.052 -6.666 1.00 0.00 O ATOM 766 CB THR A 54 -14.167 -1.006 -5.115 1.00 0.00 C ATOM 767 OG1 THR A 54 -15.073 -0.199 -4.352 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.647 -2.449 -5.109 1.00 0.00 C ATOM 0 H THR A 54 -12.576 1.112 -5.097 1.00 0.00 H new ATOM 0 HA THR A 54 -12.706 -1.415 -3.586 1.00 0.00 H new ATOM 0 HB THR A 54 -14.143 -0.646 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.975 -0.276 -4.727 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.657 -2.498 -5.515 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.980 -3.057 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.648 -2.828 -4.087 1.00 0.00 H new ATOM 776 N GLY A 55 -11.042 -2.550 -5.114 1.00 0.00 N ATOM 777 CA GLY A 55 -10.071 -3.138 -6.006 1.00 0.00 C ATOM 778 C GLY A 55 -9.516 -4.458 -5.528 1.00 0.00 C ATOM 779 O GLY A 55 -9.636 -4.804 -4.355 1.00 0.00 O ATOM 0 H GLY A 55 -11.099 -2.970 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.532 -3.282 -6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.247 -2.437 -6.142 1.00 0.00 H new ATOM 783 N THR A 56 -8.860 -5.164 -6.438 1.00 0.00 N ATOM 784 CA THR A 56 -8.202 -6.417 -6.114 1.00 0.00 C ATOM 785 C THR A 56 -6.691 -6.214 -6.028 1.00 0.00 C ATOM 786 O THR A 56 -6.109 -5.455 -6.812 1.00 0.00 O ATOM 787 CB THR A 56 -8.537 -7.517 -7.155 1.00 0.00 C ATOM 788 OG1 THR A 56 -7.913 -8.756 -6.800 1.00 0.00 O ATOM 789 CG2 THR A 56 -8.098 -7.109 -8.553 1.00 0.00 C ATOM 0 H THR A 56 -8.770 -4.885 -7.415 1.00 0.00 H new ATOM 0 HA THR A 56 -8.573 -6.749 -5.144 1.00 0.00 H new ATOM 0 HB THR A 56 -9.619 -7.646 -7.155 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.137 -9.438 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.347 -7.902 -9.258 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.611 -6.192 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.021 -6.941 -8.562 1.00 0.00 H new ATOM 797 N TRP A 57 -6.075 -6.837 -5.033 1.00 0.00 N ATOM 798 CA TRP A 57 -4.640 -6.720 -4.820 1.00 0.00 C ATOM 799 C TRP A 57 -3.988 -8.090 -4.963 1.00 0.00 C ATOM 800 O TRP A 57 -4.370 -9.033 -4.277 1.00 0.00 O ATOM 801 CB TRP A 57 -4.360 -6.156 -3.421 1.00 0.00 C ATOM 802 CG TRP A 57 -2.915 -5.840 -3.169 1.00 0.00 C ATOM 803 CD1 TRP A 57 -1.919 -6.724 -2.867 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.314 -4.540 -3.155 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.732 -6.056 -2.695 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.951 -4.713 -2.861 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.798 -3.249 -3.372 1.00 0.00 C ATOM 808 CZ2 TRP A 57 -0.065 -3.643 -2.776 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.920 -2.187 -3.286 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.567 -2.389 -2.991 1.00 0.00 C ATOM 0 H TRP A 57 -6.551 -7.433 -4.356 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.224 -6.042 -5.565 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.949 -5.250 -3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.699 -6.875 -2.676 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.046 -7.793 -2.777 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.166 -6.488 -2.479 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.840 -3.084 -3.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.980 -3.797 -2.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.284 -1.183 -3.449 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.094 -1.537 -2.932 1.00 0.00 H new ATOM 820 N THR A 58 -2.984 -8.192 -5.820 1.00 0.00 N ATOM 821 CA THR A 58 -2.276 -9.446 -5.997 1.00 0.00 C ATOM 822 C THR A 58 -0.840 -9.305 -5.531 1.00 0.00 C ATOM 823 O THR A 58 -0.150 -8.346 -5.896 1.00 0.00 O ATOM 824 CB THR A 58 -2.278 -9.910 -7.467 1.00 0.00 C ATOM 825 OG1 THR A 58 -1.552 -8.975 -8.279 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.698 -10.053 -7.992 1.00 0.00 C ATOM 0 H THR A 58 -2.644 -7.425 -6.400 1.00 0.00 H new ATOM 0 HA THR A 58 -2.798 -10.194 -5.400 1.00 0.00 H new ATOM 0 HB THR A 58 -1.793 -10.885 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.658 -8.072 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.670 -10.381 -9.031 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.235 -10.789 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.208 -9.092 -7.929 1.00 0.00 H new ATOM 834 N MET A 59 -0.368 -10.283 -4.789 1.00 0.00 N ATOM 835 CA MET A 59 1.009 -10.287 -4.356 1.00 0.00 C ATOM 836 C MET A 59 1.749 -11.472 -4.923 1.00 0.00 C ATOM 837 O MET A 59 1.505 -12.622 -4.554 1.00 0.00 O ATOM 838 CB MET A 59 1.121 -10.302 -2.830 1.00 0.00 C ATOM 839 CG MET A 59 2.563 -10.348 -2.340 1.00 0.00 C ATOM 840 SD MET A 59 2.694 -10.465 -0.548 1.00 0.00 S ATOM 841 CE MET A 59 4.474 -10.418 -0.349 1.00 0.00 C ATOM 0 H MET A 59 -0.917 -11.083 -4.474 1.00 0.00 H new ATOM 0 HA MET A 59 1.461 -9.368 -4.728 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.634 -9.414 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.583 -11.166 -2.440 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.067 -11.202 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.085 -9.453 -2.679 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.728 -10.588 0.697 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.929 -11.194 -0.964 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.849 -9.443 -0.659 1.00 0.00 H new ATOM 849 N GLU A 60 2.818 -11.137 -5.594 1.00 0.00 N ATOM 850 CA GLU A 60 3.821 -12.099 -5.952 1.00 0.00 C ATOM 851 C GLU A 60 4.949 -11.907 -4.950 1.00 0.00 C ATOM 852 O GLU A 60 4.993 -10.868 -4.289 1.00 0.00 O ATOM 853 CB GLU A 60 4.301 -11.863 -7.388 1.00 0.00 C ATOM 854 CG GLU A 60 4.473 -13.130 -8.218 1.00 0.00 C ATOM 855 CD GLU A 60 5.567 -14.039 -7.699 1.00 0.00 C ATOM 856 OE1 GLU A 60 5.342 -14.733 -6.688 1.00 0.00 O ATOM 857 OE2 GLU A 60 6.670 -14.034 -8.280 1.00 0.00 O ATOM 0 H GLU A 60 3.017 -10.187 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 60 3.439 -13.119 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.589 -11.209 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.253 -11.334 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.531 -13.678 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.697 -12.854 -9.248 1.00 0.00 H new ATOM 862 N GLY A 61 5.711 -12.960 -4.718 1.00 0.00 N ATOM 863 CA GLY A 61 6.727 -12.989 -3.666 1.00 0.00 C ATOM 864 C GLY A 61 7.457 -11.674 -3.467 1.00 0.00 C ATOM 865 O GLY A 61 7.714 -11.270 -2.334 1.00 0.00 O ATOM 0 H GLY A 61 5.647 -13.826 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.253 -13.274 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.456 -13.764 -3.903 1.00 0.00 H new ATOM 869 N ASN A 62 7.714 -10.965 -4.553 1.00 0.00 N ATOM 870 CA ASN A 62 8.342 -9.659 -4.467 1.00 0.00 C ATOM 871 C ASN A 62 7.685 -8.684 -5.433 1.00 0.00 C ATOM 872 O ASN A 62 8.341 -7.800 -5.984 1.00 0.00 O ATOM 873 CB ASN A 62 9.840 -9.766 -4.763 1.00 0.00 C ATOM 874 CG ASN A 62 10.604 -10.483 -3.667 1.00 0.00 C ATOM 875 OD1 ASN A 62 10.728 -9.981 -2.549 1.00 0.00 O ATOM 876 ND2 ASN A 62 11.109 -11.667 -3.974 1.00 0.00 N ATOM 0 H ASN A 62 7.498 -11.271 -5.502 1.00 0.00 H new ATOM 0 HA ASN A 62 8.211 -9.283 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.983 -10.295 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.253 -8.766 -4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.623 -12.199 -3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.984 -12.047 -4.912 1.00 0.00 H new ATOM 882 N LYS A 63 6.370 -8.811 -5.589 1.00 0.00 N ATOM 883 CA LYS A 63 5.611 -7.935 -6.476 1.00 0.00 C ATOM 884 C LYS A 63 4.236 -7.633 -5.894 1.00 0.00 C ATOM 885 O LYS A 63 3.439 -8.534 -5.650 1.00 0.00 O ATOM 886 CB LYS A 63 5.434 -8.577 -7.859 1.00 0.00 C ATOM 887 CG LYS A 63 6.721 -8.714 -8.661 1.00 0.00 C ATOM 888 CD LYS A 63 7.219 -7.374 -9.178 1.00 0.00 C ATOM 889 CE LYS A 63 6.261 -6.768 -10.192 1.00 0.00 C ATOM 890 NZ LYS A 63 6.754 -5.465 -10.712 1.00 0.00 N ATOM 0 H LYS A 63 5.807 -9.514 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 63 6.174 -7.007 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.992 -9.566 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.724 -7.982 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.490 -9.169 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.553 -9.387 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.346 -6.686 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.200 -7.503 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.124 -7.462 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.284 -6.628 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.187 -4.693 -10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.751 -5.339 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.670 -5.451 -11.748 1.00 0.00 H new ATOM 900 N LEU A 64 3.948 -6.358 -5.732 1.00 0.00 N ATOM 901 CA LEU A 64 2.652 -5.902 -5.259 1.00 0.00 C ATOM 902 C LEU A 64 1.947 -5.148 -6.378 1.00 0.00 C ATOM 903 O LEU A 64 2.428 -4.110 -6.834 1.00 0.00 O ATOM 904 CB LEU A 64 2.847 -4.986 -4.047 1.00 0.00 C ATOM 905 CG LEU A 64 3.480 -5.652 -2.822 1.00 0.00 C ATOM 906 CD1 LEU A 64 3.833 -4.608 -1.773 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.545 -6.700 -2.235 1.00 0.00 C ATOM 0 H LEU A 64 4.607 -5.604 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 64 2.043 -6.756 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.470 -4.143 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.878 -4.579 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 64 4.396 -6.150 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.282 -5.098 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.541 -3.894 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.929 -4.083 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.015 -7.161 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.611 -6.226 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.339 -7.465 -2.984 1.00 0.00 H new ATOM 918 N VAL A 65 0.859 -5.712 -6.876 1.00 0.00 N ATOM 919 CA VAL A 65 0.149 -5.134 -8.008 1.00 0.00 C ATOM 920 C VAL A 65 -1.355 -5.239 -7.796 1.00 0.00 C ATOM 921 O VAL A 65 -1.853 -6.274 -7.361 1.00 0.00 O ATOM 922 CB VAL A 65 0.515 -5.849 -9.338 1.00 0.00 C ATOM 923 CG1 VAL A 65 -0.219 -5.218 -10.512 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.018 -5.825 -9.584 1.00 0.00 C ATOM 0 H VAL A 65 0.446 -6.572 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 65 0.448 -4.088 -8.077 1.00 0.00 H new ATOM 0 HB VAL A 65 0.201 -6.889 -9.248 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.053 -5.735 -11.432 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.295 -5.299 -10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.058 -4.167 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.241 -6.333 -10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.361 -4.792 -9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.529 -6.333 -8.766 1.00 0.00 H new ATOM 934 N GLY A 66 -2.080 -4.183 -8.127 1.00 0.00 N ATOM 935 CA GLY A 66 -3.520 -4.227 -8.015 1.00 0.00 C ATOM 936 C GLY A 66 -4.191 -3.175 -8.867 1.00 0.00 C ATOM 937 O GLY A 66 -3.594 -2.664 -9.814 1.00 0.00 O ATOM 0 H GLY A 66 -1.699 -3.301 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.876 -5.214 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.806 -4.085 -6.973 1.00 0.00 H new ATOM 941 N LYS A 67 -5.416 -2.835 -8.508 1.00 0.00 N ATOM 942 CA LYS A 67 -6.184 -1.816 -9.206 1.00 0.00 C ATOM 943 C LYS A 67 -7.367 -1.428 -8.344 1.00 0.00 C ATOM 944 O LYS A 67 -8.102 -2.299 -7.893 1.00 0.00 O ATOM 945 CB LYS A 67 -6.685 -2.334 -10.557 1.00 0.00 C ATOM 946 CG LYS A 67 -7.469 -1.300 -11.352 1.00 0.00 C ATOM 947 CD LYS A 67 -8.203 -1.938 -12.520 1.00 0.00 C ATOM 948 CE LYS A 67 -8.981 -0.909 -13.328 1.00 0.00 C ATOM 949 NZ LYS A 67 -8.094 -0.084 -14.193 1.00 0.00 N ATOM 0 H LYS A 67 -5.909 -3.258 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.544 -0.953 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.832 -2.665 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.316 -3.207 -10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.185 -0.803 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.790 -0.532 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.486 -2.443 -13.168 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.887 -2.700 -12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.718 -1.419 -13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.531 -0.258 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.224 0.922 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.102 -0.351 -14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.335 -0.246 -15.192 1.00 0.00 H new ATOM 959 N PHE A 68 -7.491 -0.151 -8.026 1.00 0.00 N ATOM 960 CA PHE A 68 -8.538 0.296 -7.122 1.00 0.00 C ATOM 961 C PHE A 68 -9.272 1.500 -7.690 1.00 0.00 C ATOM 962 O PHE A 68 -8.692 2.327 -8.395 1.00 0.00 O ATOM 963 CB PHE A 68 -7.966 0.636 -5.741 1.00 0.00 C ATOM 964 CG PHE A 68 -7.407 -0.541 -4.994 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.194 -1.104 -5.355 1.00 0.00 C ATOM 966 CD2 PHE A 68 -8.103 -1.090 -3.931 1.00 0.00 C ATOM 967 CE1 PHE A 68 -5.686 -2.191 -4.673 1.00 0.00 C ATOM 968 CE2 PHE A 68 -7.599 -2.176 -3.243 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.390 -2.727 -3.614 1.00 0.00 C ATOM 0 H PHE A 68 -6.885 0.590 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.247 -0.524 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.180 1.382 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.751 1.094 -5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.638 -0.687 -6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.051 -0.664 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.740 -2.621 -4.967 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.151 -2.594 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.995 -3.576 -3.077 1.00 0.00 H new ATOM 978 N LYS A 69 -10.564 1.551 -7.431 1.00 0.00 N ATOM 979 CA LYS A 69 -11.409 2.609 -7.946 1.00 0.00 C ATOM 980 C LYS A 69 -11.870 3.516 -6.813 1.00 0.00 C ATOM 981 O LYS A 69 -12.513 3.053 -5.873 1.00 0.00 O ATOM 982 CB LYS A 69 -12.619 1.984 -8.647 1.00 0.00 C ATOM 983 CG LYS A 69 -13.549 2.986 -9.301 1.00 0.00 C ATOM 984 CD LYS A 69 -14.654 2.291 -10.081 1.00 0.00 C ATOM 985 CE LYS A 69 -15.336 3.245 -11.046 1.00 0.00 C ATOM 986 NZ LYS A 69 -16.443 2.594 -11.797 1.00 0.00 N ATOM 0 H LYS A 69 -11.055 0.863 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.844 3.211 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.264 1.287 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.185 1.402 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.989 3.628 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.979 3.630 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.237 1.449 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.390 1.884 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.728 4.099 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.600 3.632 -11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.878 3.284 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.067 1.795 -12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.159 2.247 -11.128 1.00 0.00 H new ATOM 996 N ARG A 70 -11.591 4.810 -6.931 1.00 0.00 N ATOM 997 CA ARG A 70 -12.065 5.785 -5.953 1.00 0.00 C ATOM 998 C ARG A 70 -12.976 6.789 -6.638 1.00 0.00 C ATOM 999 O ARG A 70 -12.502 7.695 -7.324 1.00 0.00 O ATOM 1000 CB ARG A 70 -10.906 6.537 -5.294 1.00 0.00 C ATOM 1001 CG ARG A 70 -11.351 7.358 -4.090 1.00 0.00 C ATOM 1002 CD ARG A 70 -10.699 8.729 -4.048 1.00 0.00 C ATOM 1003 NE ARG A 70 -11.221 9.547 -2.950 1.00 0.00 N ATOM 1004 CZ ARG A 70 -10.772 10.768 -2.648 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -9.705 11.263 -3.265 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -11.371 11.480 -1.700 1.00 0.00 N ATOM 0 H ARG A 70 -11.041 5.208 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.606 5.241 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.145 5.822 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.441 7.196 -6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.434 7.475 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.110 6.816 -3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.621 8.615 -3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.869 9.241 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.974 9.160 -2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.224 10.710 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.367 12.196 -3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.174 11.094 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.028 12.413 -1.469 1.00 0.00 H new ATOM 1017 N VAL A 71 -14.274 6.600 -6.486 1.00 0.00 N ATOM 1018 CA VAL A 71 -15.259 7.440 -7.155 1.00 0.00 C ATOM 1019 C VAL A 71 -15.158 8.902 -6.722 1.00 0.00 C ATOM 1020 O VAL A 71 -15.435 9.804 -7.509 1.00 0.00 O ATOM 1021 CB VAL A 71 -16.698 6.928 -6.926 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -16.906 5.600 -7.636 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -17.005 6.792 -5.441 1.00 0.00 C ATOM 0 H VAL A 71 -14.676 5.867 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.032 7.382 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 71 -17.387 7.662 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.925 5.252 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.741 5.730 -8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.201 4.865 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -18.025 6.430 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.309 6.085 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.901 7.763 -4.958 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.787 9.137 -5.469 1.00 0.00 N ATOM 1034 CA ASP A 72 -14.734 10.498 -4.935 1.00 0.00 C ATOM 1035 C ASP A 72 -13.467 11.237 -5.369 1.00 0.00 C ATOM 1036 O ASP A 72 -12.889 11.999 -4.592 1.00 0.00 O ATOM 1037 CB ASP A 72 -14.807 10.465 -3.408 1.00 0.00 C ATOM 1038 CG ASP A 72 -15.252 11.788 -2.808 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -15.449 12.765 -3.560 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -15.404 11.857 -1.571 1.00 0.00 O ATOM 0 H ASP A 72 -14.520 8.410 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.591 11.038 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.499 9.681 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.828 10.202 -3.008 1.00 0.00 H new ATOM 1044 N ASN A 73 -13.069 11.066 -6.623 1.00 0.00 N ATOM 1045 CA ASN A 73 -11.926 11.806 -7.154 1.00 0.00 C ATOM 1046 C ASN A 73 -11.785 11.610 -8.657 1.00 0.00 C ATOM 1047 O ASN A 73 -11.913 12.561 -9.428 1.00 0.00 O ATOM 1048 CB ASN A 73 -10.634 11.384 -6.449 1.00 0.00 C ATOM 1049 CG ASN A 73 -9.472 12.306 -6.759 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -9.583 13.525 -6.650 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -8.341 11.732 -7.126 1.00 0.00 N ATOM 0 H ASN A 73 -13.512 10.430 -7.286 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.105 12.864 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.801 11.366 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.377 10.368 -6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.521 12.304 -7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.287 10.717 -7.206 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.554 10.376 -9.076 1.00 0.00 N ATOM 1058 CA GLY A 74 -11.397 10.105 -10.493 1.00 0.00 C ATOM 1059 C GLY A 74 -11.453 8.630 -10.805 1.00 0.00 C ATOM 1060 O GLY A 74 -10.828 8.169 -11.756 1.00 0.00 O ATOM 0 H GLY A 74 -11.472 9.561 -8.468 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.180 10.621 -11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.444 10.510 -10.834 1.00 0.00 H new ATOM 1064 N LYS A 75 -12.275 7.928 -10.032 1.00 0.00 N ATOM 1065 CA LYS A 75 -12.595 6.502 -10.211 1.00 0.00 C ATOM 1066 C LYS A 75 -11.401 5.598 -10.538 1.00 0.00 C ATOM 1067 O LYS A 75 -11.615 4.471 -10.972 1.00 0.00 O ATOM 1068 CB LYS A 75 -13.684 6.327 -11.279 1.00 0.00 C ATOM 1069 CG LYS A 75 -13.278 6.759 -12.681 1.00 0.00 C ATOM 1070 CD LYS A 75 -14.429 6.635 -13.664 1.00 0.00 C ATOM 1071 CE LYS A 75 -14.028 7.108 -15.053 1.00 0.00 C ATOM 1072 NZ LYS A 75 -12.969 6.250 -15.651 1.00 0.00 N ATOM 0 H LYS A 75 -12.757 8.343 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.951 6.174 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.979 5.278 -11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.563 6.897 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.930 7.792 -12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.442 6.149 -13.022 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.757 5.597 -13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.277 7.221 -13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.903 7.109 -15.702 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.672 8.137 -14.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.845 6.499 -16.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.073 6.400 -15.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.247 5.251 -15.575 1.00 0.00 H new ATOM 1082 N GLU A 76 -10.177 6.016 -10.222 1.00 0.00 N ATOM 1083 CA GLU A 76 -9.003 5.163 -10.438 1.00 0.00 C ATOM 1084 C GLU A 76 -7.782 5.673 -9.681 1.00 0.00 C ATOM 1085 O GLU A 76 -7.034 6.508 -10.181 1.00 0.00 O ATOM 1086 CB GLU A 76 -8.652 5.049 -11.930 1.00 0.00 C ATOM 1087 CG GLU A 76 -9.438 3.981 -12.677 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.883 3.698 -14.055 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -8.839 4.626 -14.889 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -8.495 2.541 -14.316 1.00 0.00 O ATOM 0 H GLU A 76 -9.970 6.930 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.271 4.178 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.827 6.013 -12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.588 4.834 -12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.435 3.060 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.477 4.298 -12.767 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.471 4.993 -8.592 1.00 0.00 N ATOM 1096 CA LEU A 77 -6.228 5.200 -7.871 1.00 0.00 C ATOM 1097 C LEU A 77 -5.623 3.843 -7.534 1.00 0.00 C ATOM 1098 O LEU A 77 -6.294 2.980 -6.976 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.466 6.011 -6.593 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.235 6.184 -5.696 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.144 6.956 -6.421 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -5.607 6.884 -4.400 1.00 0.00 C ATOM 0 H LEU A 77 -8.075 4.280 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.539 5.766 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.836 6.998 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.253 5.527 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.852 5.193 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.280 7.067 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.850 6.414 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.518 7.942 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.718 6.996 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.020 7.868 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.350 6.291 -3.867 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.425 3.599 -8.035 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.817 2.280 -7.947 1.00 0.00 C ATOM 1115 C ILE A 78 -2.460 2.336 -7.258 1.00 0.00 C ATOM 1116 O ILE A 78 -1.636 3.185 -7.577 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.638 1.677 -9.355 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.985 1.593 -10.075 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.991 0.305 -9.276 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.874 1.114 -11.503 1.00 0.00 C ATOM 0 H ILE A 78 -3.852 4.297 -8.508 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.485 1.654 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.979 2.332 -9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.642 0.920 -9.524 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.456 2.576 -10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.875 -0.101 -10.281 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.012 0.391 -8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.621 -0.361 -8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.866 1.078 -11.953 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.243 1.800 -12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.432 0.118 -11.519 1.00 0.00 H new ATOM 1131 N ALA A 79 -2.189 1.362 -6.405 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.876 1.238 -5.793 1.00 0.00 C ATOM 1133 C ALA A 79 -0.163 0.009 -6.348 1.00 0.00 C ATOM 1134 O ALA A 79 -0.718 -1.089 -6.352 1.00 0.00 O ATOM 1135 CB ALA A 79 -0.996 1.156 -4.279 1.00 0.00 C ATOM 0 H ALA A 79 -2.859 0.647 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.288 2.123 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.003 1.064 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.477 2.059 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.595 0.286 -4.008 1.00 0.00 H new ATOM 1141 N VAL A 80 1.043 0.212 -6.863 1.00 0.00 N ATOM 1142 CA VAL A 80 1.827 -0.869 -7.458 1.00 0.00 C ATOM 1143 C VAL A 80 3.296 -0.713 -7.082 1.00 0.00 C ATOM 1144 O VAL A 80 3.855 0.382 -7.195 1.00 0.00 O ATOM 1145 CB VAL A 80 1.708 -0.888 -9.006 1.00 0.00 C ATOM 1146 CG1 VAL A 80 2.608 -1.954 -9.611 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.270 -1.109 -9.444 1.00 0.00 C ATOM 0 H VAL A 80 1.504 1.121 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 80 1.430 -1.807 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 80 2.033 0.087 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.504 -1.945 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.645 -1.749 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.321 -2.933 -9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.218 -1.117 -10.533 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.086 -2.064 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.356 -0.305 -9.057 1.00 0.00 H new ATOM 1157 N ARG A 81 3.918 -1.795 -6.624 1.00 0.00 N ATOM 1158 CA ARG A 81 5.320 -1.746 -6.242 1.00 0.00 C ATOM 1159 C ARG A 81 5.928 -3.136 -6.071 1.00 0.00 C ATOM 1160 O ARG A 81 5.313 -4.032 -5.506 1.00 0.00 O ATOM 1161 CB ARG A 81 5.500 -0.951 -4.951 1.00 0.00 C ATOM 1162 CG ARG A 81 6.950 -0.845 -4.530 1.00 0.00 C ATOM 1163 CD ARG A 81 7.769 -0.056 -5.538 1.00 0.00 C ATOM 1164 NE ARG A 81 9.182 -0.428 -5.479 1.00 0.00 N ATOM 1165 CZ ARG A 81 10.138 0.075 -6.263 1.00 0.00 C ATOM 1166 NH1 ARG A 81 9.846 0.975 -7.192 1.00 0.00 N ATOM 1167 NH2 ARG A 81 11.396 -0.339 -6.125 1.00 0.00 N ATOM 0 H ARG A 81 3.476 -2.707 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 81 5.846 -1.249 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.090 0.050 -5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.928 -1.425 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.012 -0.364 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.372 -1.844 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.385 -0.235 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.663 1.011 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 81 9.458 -1.124 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.883 1.289 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.584 1.353 -7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.628 -1.040 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.128 0.044 -6.723 1.00 0.00 H new ATOM 1178 N GLU A 82 7.192 -3.254 -6.439 1.00 0.00 N ATOM 1179 CA GLU A 82 7.964 -4.460 -6.193 1.00 0.00 C ATOM 1180 C GLU A 82 8.932 -4.224 -5.035 1.00 0.00 C ATOM 1181 O GLU A 82 9.192 -3.079 -4.659 1.00 0.00 O ATOM 1182 CB GLU A 82 8.720 -4.867 -7.458 1.00 0.00 C ATOM 1183 CG GLU A 82 9.221 -3.683 -8.265 1.00 0.00 C ATOM 1184 CD GLU A 82 9.959 -4.094 -9.517 1.00 0.00 C ATOM 1185 OE1 GLU A 82 9.359 -4.776 -10.376 1.00 0.00 O ATOM 1186 OE2 GLU A 82 11.140 -3.728 -9.658 1.00 0.00 O ATOM 0 H GLU A 82 7.712 -2.517 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 82 7.289 -5.272 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.568 -5.494 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.066 -5.474 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.375 -3.052 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.881 -3.079 -7.642 1.00 0.00 H new ATOM 1191 N ILE A 83 9.444 -5.295 -4.454 1.00 0.00 N ATOM 1192 CA ILE A 83 10.351 -5.172 -3.317 1.00 0.00 C ATOM 1193 C ILE A 83 11.787 -5.387 -3.787 1.00 0.00 C ATOM 1194 O ILE A 83 12.103 -6.426 -4.363 1.00 0.00 O ATOM 1195 CB ILE A 83 10.051 -6.229 -2.229 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.548 -6.360 -1.972 1.00 0.00 C ATOM 1197 CG2 ILE A 83 10.778 -5.886 -0.938 1.00 0.00 C ATOM 1198 CD1 ILE A 83 7.854 -5.053 -1.666 1.00 0.00 C ATOM 0 H ILE A 83 9.252 -6.254 -4.745 1.00 0.00 H new ATOM 0 HA ILE A 83 10.213 -4.176 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 83 10.413 -7.190 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.079 -6.811 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.392 -7.045 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.555 -6.641 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.852 -5.862 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.448 -4.910 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.793 -5.235 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.293 -4.609 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.975 -4.371 -2.508 1.00 0.00 H new ATOM 1209 N SER A 84 12.642 -4.405 -3.568 1.00 0.00 N ATOM 1210 CA SER A 84 14.032 -4.502 -3.987 1.00 0.00 C ATOM 1211 C SER A 84 14.963 -4.535 -2.776 1.00 0.00 C ATOM 1212 O SER A 84 14.936 -3.629 -1.946 1.00 0.00 O ATOM 1213 CB SER A 84 14.364 -3.322 -4.901 1.00 0.00 C ATOM 1214 OG SER A 84 13.546 -2.196 -4.596 1.00 0.00 O ATOM 0 H SER A 84 12.400 -3.530 -3.102 1.00 0.00 H new ATOM 0 HA SER A 84 14.179 -5.432 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.415 -3.054 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.218 -3.611 -5.942 1.00 0.00 H new ATOM 0 HG SER A 84 14.111 -1.450 -4.307 1.00 0.00 H new ATOM 1219 N GLY A 85 15.741 -5.611 -2.646 1.00 0.00 N ATOM 1220 CA GLY A 85 16.602 -5.774 -1.482 1.00 0.00 C ATOM 1221 C GLY A 85 15.801 -5.738 -0.198 1.00 0.00 C ATOM 1222 O GLY A 85 14.688 -6.268 -0.150 1.00 0.00 O ATOM 0 H GLY A 85 15.790 -6.371 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.138 -6.721 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.352 -4.983 -1.468 1.00 0.00 H new ATOM 1226 N ASN A 86 16.243 -4.929 0.756 1.00 0.00 N ATOM 1227 CA ASN A 86 15.394 -4.638 1.895 1.00 0.00 C ATOM 1228 C ASN A 86 14.986 -3.176 1.853 1.00 0.00 C ATOM 1229 O ASN A 86 15.656 -2.304 2.414 1.00 0.00 O ATOM 1230 CB ASN A 86 16.117 -4.946 3.214 1.00 0.00 C ATOM 1231 CG ASN A 86 16.245 -6.433 3.482 1.00 0.00 C ATOM 1232 OD1 ASN A 86 15.249 -7.131 3.677 1.00 0.00 O ATOM 1233 ND2 ASN A 86 17.473 -6.929 3.498 1.00 0.00 N ATOM 0 H ASN A 86 17.157 -4.476 0.764 1.00 0.00 H new ATOM 0 HA ASN A 86 14.507 -5.270 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.111 -4.499 3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.576 -4.479 4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.619 -7.923 3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.272 -6.317 3.332 1.00 0.00 H new ATOM 1239 N GLU A 87 13.819 -2.942 1.282 1.00 0.00 N ATOM 1240 CA GLU A 87 13.217 -1.625 1.220 1.00 0.00 C ATOM 1241 C GLU A 87 11.796 -1.771 0.719 1.00 0.00 C ATOM 1242 O GLU A 87 11.470 -2.764 0.066 1.00 0.00 O ATOM 1243 CB GLU A 87 14.007 -0.673 0.306 1.00 0.00 C ATOM 1244 CG GLU A 87 13.842 -0.946 -1.182 1.00 0.00 C ATOM 1245 CD GLU A 87 14.668 -0.013 -2.049 1.00 0.00 C ATOM 1246 OE1 GLU A 87 15.395 0.842 -1.496 1.00 0.00 O ATOM 1247 OE2 GLU A 87 14.596 -0.130 -3.292 1.00 0.00 O ATOM 0 H GLU A 87 13.256 -3.671 0.843 1.00 0.00 H new ATOM 0 HA GLU A 87 13.228 -1.188 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.694 0.351 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.065 -0.740 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.128 -1.977 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.790 -0.847 -1.450 1.00 0.00 H new ATOM 1252 N LEU A 88 11.009 -0.734 0.872 1.00 0.00 N ATOM 1253 CA LEU A 88 9.708 -0.710 0.255 1.00 0.00 C ATOM 1254 C LEU A 88 9.435 0.668 -0.302 1.00 0.00 C ATOM 1255 O LEU A 88 9.465 1.660 0.418 1.00 0.00 O ATOM 1256 CB LEU A 88 8.599 -1.093 1.232 1.00 0.00 C ATOM 1257 CG LEU A 88 7.191 -1.013 0.635 1.00 0.00 C ATOM 1258 CD1 LEU A 88 6.948 -2.142 -0.346 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.133 -1.014 1.723 1.00 0.00 C ATOM 0 H LEU A 88 11.245 0.097 1.414 1.00 0.00 H new ATOM 0 HA LEU A 88 9.712 -1.448 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.775 -2.108 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.652 -0.438 2.102 1.00 0.00 H new ATOM 0 HG LEU A 88 7.118 -0.070 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.940 -2.059 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.674 -2.082 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.055 -3.098 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.144 -0.956 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.212 -1.932 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.283 -0.155 2.377 1.00 0.00 H new ATOM 1270 N ILE A 89 9.072 0.704 -1.559 1.00 0.00 N ATOM 1271 CA ILE A 89 8.634 1.924 -2.191 1.00 0.00 C ATOM 1272 C ILE A 89 7.122 1.833 -2.341 1.00 0.00 C ATOM 1273 O ILE A 89 6.560 0.754 -2.174 1.00 0.00 O ATOM 1274 CB ILE A 89 9.314 2.109 -3.567 1.00 0.00 C ATOM 1275 CG1 ILE A 89 10.831 1.899 -3.449 1.00 0.00 C ATOM 1276 CG2 ILE A 89 9.013 3.482 -4.154 1.00 0.00 C ATOM 1277 CD1 ILE A 89 11.513 2.815 -2.453 1.00 0.00 C ATOM 0 H ILE A 89 9.071 -0.110 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 89 8.909 2.788 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 89 8.906 1.358 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.021 0.865 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.284 2.047 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.506 3.580 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.936 3.595 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.381 4.255 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.581 2.600 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.358 3.853 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.091 2.652 -1.461 1.00 0.00 H new ATOM 1288 N GLN A 90 6.451 2.939 -2.556 1.00 0.00 N ATOM 1289 CA GLN A 90 5.004 2.904 -2.657 1.00 0.00 C ATOM 1290 C GLN A 90 4.527 3.889 -3.715 1.00 0.00 C ATOM 1291 O GLN A 90 4.749 5.093 -3.591 1.00 0.00 O ATOM 1292 CB GLN A 90 4.387 3.234 -1.303 1.00 0.00 C ATOM 1293 CG GLN A 90 2.893 2.970 -1.220 1.00 0.00 C ATOM 1294 CD GLN A 90 2.546 1.509 -1.429 1.00 0.00 C ATOM 1295 OE1 GLN A 90 2.555 1.009 -2.554 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.271 0.809 -0.339 1.00 0.00 N ATOM 0 H GLN A 90 6.871 3.862 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 90 4.689 1.903 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.891 2.649 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.572 4.284 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.525 3.291 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.379 3.572 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.275 1.264 0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.055 -0.185 -0.412 1.00 0.00 H new ATOM 1303 N THR A 91 3.933 3.365 -4.779 1.00 0.00 N ATOM 1304 CA THR A 91 3.491 4.196 -5.887 1.00 0.00 C ATOM 1305 C THR A 91 1.976 4.296 -5.927 1.00 0.00 C ATOM 1306 O THR A 91 1.291 3.295 -6.131 1.00 0.00 O ATOM 1307 CB THR A 91 3.964 3.627 -7.236 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.118 2.798 -7.043 1.00 0.00 O ATOM 1309 CG2 THR A 91 4.300 4.746 -8.210 1.00 0.00 C ATOM 0 H THR A 91 3.747 2.369 -4.897 1.00 0.00 H new ATOM 0 HA THR A 91 3.926 5.183 -5.728 1.00 0.00 H new ATOM 0 HB THR A 91 3.153 3.031 -7.655 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.843 1.858 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.632 4.318 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.415 5.359 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.095 5.365 -7.793 1.00 0.00 H new ATOM 1317 N TYR A 92 1.477 5.516 -5.914 1.00 0.00 N ATOM 1318 CA TYR A 92 0.066 5.754 -6.131 1.00 0.00 C ATOM 1319 C TYR A 92 -0.134 6.295 -7.540 1.00 0.00 C ATOM 1320 O TYR A 92 0.283 7.414 -7.851 1.00 0.00 O ATOM 1321 CB TYR A 92 -0.503 6.746 -5.106 1.00 0.00 C ATOM 1322 CG TYR A 92 -0.330 6.328 -3.660 1.00 0.00 C ATOM 1323 CD1 TYR A 92 0.916 6.376 -3.042 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -1.416 5.893 -2.909 1.00 0.00 C ATOM 1325 CE1 TYR A 92 1.073 6.004 -1.722 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -1.265 5.517 -1.588 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.019 5.575 -0.999 1.00 0.00 C ATOM 1328 OH TYR A 92 0.137 5.207 0.320 1.00 0.00 O ATOM 0 H TYR A 92 2.030 6.358 -5.755 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.467 4.811 -6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.022 7.713 -5.251 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.566 6.885 -5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.775 6.710 -3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.394 5.848 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.047 6.049 -1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.119 5.179 -1.019 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.729 4.930 0.687 1.00 0.00 H new ATOM 1337 N THR A 93 -0.733 5.488 -8.394 1.00 0.00 N ATOM 1338 CA THR A 93 -0.982 5.876 -9.769 1.00 0.00 C ATOM 1339 C THR A 93 -2.447 6.254 -9.949 1.00 0.00 C ATOM 1340 O THR A 93 -3.342 5.422 -9.790 1.00 0.00 O ATOM 1341 CB THR A 93 -0.630 4.735 -10.745 1.00 0.00 C ATOM 1342 OG1 THR A 93 0.694 4.258 -10.477 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.723 5.207 -12.189 1.00 0.00 C ATOM 0 H THR A 93 -1.059 4.551 -8.157 1.00 0.00 H new ATOM 0 HA THR A 93 -0.348 6.734 -9.992 1.00 0.00 H new ATOM 0 HB THR A 93 -1.346 3.926 -10.600 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.912 3.532 -11.098 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.470 4.384 -12.858 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.738 5.545 -12.397 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.027 6.031 -12.348 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.685 7.513 -10.264 1.00 0.00 N ATOM 1352 CA TYR A 94 -4.034 8.004 -10.466 1.00 0.00 C ATOM 1353 C TYR A 94 -4.181 8.556 -11.876 1.00 0.00 C ATOM 1354 O TYR A 94 -3.398 9.414 -12.294 1.00 0.00 O ATOM 1355 CB TYR A 94 -4.364 9.085 -9.431 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.616 9.868 -9.748 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -6.876 9.280 -9.695 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.527 11.201 -10.129 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -8.009 10.005 -10.018 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -6.653 11.929 -10.447 1.00 0.00 C ATOM 1361 CZ TYR A 94 -7.889 11.330 -10.392 1.00 0.00 C ATOM 1362 OH TYR A 94 -9.008 12.059 -10.719 1.00 0.00 O ATOM 0 H TYR A 94 -1.957 8.217 -10.386 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.734 7.178 -10.339 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.477 8.617 -8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.523 9.775 -9.359 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.970 8.246 -9.398 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.558 11.675 -10.177 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.982 9.538 -9.978 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.565 12.965 -10.738 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.745 12.973 -10.957 1.00 0.00 H new ATOM 1371 N GLU A 95 -5.167 8.028 -12.603 1.00 0.00 N ATOM 1372 CA GLU A 95 -5.454 8.418 -13.988 1.00 0.00 C ATOM 1373 C GLU A 95 -4.315 7.999 -14.926 1.00 0.00 C ATOM 1374 O GLU A 95 -4.459 7.053 -15.699 1.00 0.00 O ATOM 1375 CB GLU A 95 -5.722 9.931 -14.071 1.00 0.00 C ATOM 1376 CG GLU A 95 -6.448 10.377 -15.335 1.00 0.00 C ATOM 1377 CD GLU A 95 -5.541 10.468 -16.545 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -4.603 11.292 -16.530 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -5.767 9.724 -17.521 1.00 0.00 O ATOM 0 H GLU A 95 -5.796 7.310 -12.245 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.353 7.895 -14.316 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.311 10.231 -13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.771 10.459 -14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.257 9.678 -15.547 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.906 11.350 -15.159 1.00 0.00 H new ATOM 1384 N GLY A 96 -3.168 8.647 -14.797 1.00 0.00 N ATOM 1385 CA GLY A 96 -2.010 8.290 -15.596 1.00 0.00 C ATOM 1386 C GLY A 96 -0.757 8.989 -15.115 1.00 0.00 C ATOM 1387 O GLY A 96 0.144 9.293 -15.900 1.00 0.00 O ATOM 0 H GLY A 96 -3.016 9.420 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.861 7.211 -15.558 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.194 8.550 -16.638 1.00 0.00 H new ATOM 1391 N VAL A 97 -0.688 9.213 -13.809 1.00 0.00 N ATOM 1392 CA VAL A 97 0.473 9.838 -13.193 1.00 0.00 C ATOM 1393 C VAL A 97 0.929 9.002 -12.014 1.00 0.00 C ATOM 1394 O VAL A 97 0.115 8.618 -11.169 1.00 0.00 O ATOM 1395 CB VAL A 97 0.166 11.258 -12.678 1.00 0.00 C ATOM 1396 CG1 VAL A 97 1.447 11.974 -12.274 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -0.602 12.064 -13.711 1.00 0.00 C ATOM 0 H VAL A 97 -1.429 8.969 -13.152 1.00 0.00 H new ATOM 0 HA VAL A 97 1.246 9.904 -13.958 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.465 11.164 -11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.207 12.974 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.943 11.413 -11.482 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.110 12.048 -13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.804 13.061 -13.318 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.010 12.146 -14.622 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.545 11.565 -13.935 1.00 0.00 H new ATOM 1407 N GLU A 98 2.215 8.715 -11.959 1.00 0.00 N ATOM 1408 CA GLU A 98 2.746 7.903 -10.887 1.00 0.00 C ATOM 1409 C GLU A 98 3.497 8.765 -9.881 1.00 0.00 C ATOM 1410 O GLU A 98 4.498 9.400 -10.219 1.00 0.00 O ATOM 1411 CB GLU A 98 3.687 6.814 -11.426 1.00 0.00 C ATOM 1412 CG GLU A 98 3.052 5.861 -12.430 1.00 0.00 C ATOM 1413 CD GLU A 98 2.815 6.499 -13.783 1.00 0.00 C ATOM 1414 OE1 GLU A 98 3.773 7.058 -14.355 1.00 0.00 O ATOM 1415 OE2 GLU A 98 1.677 6.437 -14.284 1.00 0.00 O ATOM 0 H GLU A 98 2.906 9.030 -12.640 1.00 0.00 H new ATOM 0 HA GLU A 98 1.901 7.423 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.545 7.295 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.067 6.233 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.695 4.990 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.103 5.502 -12.032 1.00 0.00 H new ATOM 1420 N ALA A 99 3.079 8.687 -8.631 1.00 0.00 N ATOM 1421 CA ALA A 99 3.780 9.350 -7.545 1.00 0.00 C ATOM 1422 C ALA A 99 4.176 8.311 -6.512 1.00 0.00 C ATOM 1423 O ALA A 99 3.392 7.409 -6.219 1.00 0.00 O ATOM 1424 CB ALA A 99 2.904 10.425 -6.919 1.00 0.00 C ATOM 0 H ALA A 99 2.251 8.167 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 99 4.675 9.838 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.447 10.910 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.642 11.166 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.995 9.970 -6.526 1.00 0.00 H new ATOM 1430 N LYS A 100 5.420 8.345 -6.071 1.00 0.00 N ATOM 1431 CA LYS A 100 5.925 7.309 -5.185 1.00 0.00 C ATOM 1432 C LYS A 100 6.830 7.879 -4.106 1.00 0.00 C ATOM 1433 O LYS A 100 7.717 8.691 -4.378 1.00 0.00 O ATOM 1434 CB LYS A 100 6.673 6.236 -5.989 1.00 0.00 C ATOM 1435 CG LYS A 100 7.839 6.768 -6.806 1.00 0.00 C ATOM 1436 CD LYS A 100 8.462 5.678 -7.663 1.00 0.00 C ATOM 1437 CE LYS A 100 9.641 6.203 -8.469 1.00 0.00 C ATOM 1438 NZ LYS A 100 10.787 6.585 -7.604 1.00 0.00 N ATOM 0 H LYS A 100 6.095 9.072 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 100 5.066 6.855 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.043 5.475 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.969 5.744 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.496 7.582 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.594 7.183 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.793 4.858 -7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.710 5.272 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.962 5.440 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.324 7.068 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.616 6.791 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.538 7.430 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.010 5.802 -6.957 1.00 0.00 H new ATOM 1448 N ARG A 101 6.650 7.390 -2.890 1.00 0.00 N ATOM 1449 CA ARG A 101 7.515 7.763 -1.787 1.00 0.00 C ATOM 1450 C ARG A 101 8.464 6.609 -1.484 1.00 0.00 C ATOM 1451 O ARG A 101 8.142 5.450 -1.749 1.00 0.00 O ATOM 1452 CB ARG A 101 6.701 8.137 -0.547 1.00 0.00 C ATOM 1453 CG ARG A 101 7.495 8.952 0.461 1.00 0.00 C ATOM 1454 CD ARG A 101 6.655 9.346 1.665 1.00 0.00 C ATOM 1455 NE ARG A 101 7.392 10.219 2.584 1.00 0.00 N ATOM 1456 CZ ARG A 101 7.647 11.508 2.350 1.00 0.00 C ATOM 1457 NH1 ARG A 101 7.189 12.091 1.248 1.00 0.00 N ATOM 1458 NH2 ARG A 101 8.348 12.220 3.226 1.00 0.00 N ATOM 0 H ARG A 101 5.910 6.732 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 101 8.093 8.642 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.822 8.705 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.341 7.227 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.358 8.375 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 101 7.880 9.850 -0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.752 9.854 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.336 8.448 2.194 1.00 0.00 H new ATOM 0 HE ARG A 101 7.731 9.816 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.640 11.553 0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.386 13.076 1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.693 11.782 4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.541 13.205 3.044 1.00 0.00 H new ATOM 1469 N ILE A 102 9.672 6.940 -1.056 1.00 0.00 N ATOM 1470 CA ILE A 102 10.716 5.943 -0.867 1.00 0.00 C ATOM 1471 C ILE A 102 10.897 5.618 0.612 1.00 0.00 C ATOM 1472 O ILE A 102 11.065 6.516 1.441 1.00 0.00 O ATOM 1473 CB ILE A 102 12.069 6.423 -1.464 1.00 0.00 C ATOM 1474 CG1 ILE A 102 12.018 6.463 -3.000 1.00 0.00 C ATOM 1475 CG2 ILE A 102 13.218 5.536 -1.005 1.00 0.00 C ATOM 1476 CD1 ILE A 102 11.217 7.616 -3.568 1.00 0.00 C ATOM 0 H ILE A 102 9.955 7.894 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 102 10.402 5.042 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 102 12.243 7.435 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 102 13.036 6.520 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.592 5.527 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.151 5.896 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.288 5.565 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.039 4.511 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.233 7.569 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.187 7.551 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.654 8.559 -3.239 1.00 0.00 H new ATOM 1487 N PHE A 103 10.889 4.326 0.922 1.00 0.00 N ATOM 1488 CA PHE A 103 11.101 3.846 2.278 1.00 0.00 C ATOM 1489 C PHE A 103 12.068 2.666 2.244 1.00 0.00 C ATOM 1490 O PHE A 103 12.326 2.097 1.181 1.00 0.00 O ATOM 1491 CB PHE A 103 9.787 3.402 2.939 1.00 0.00 C ATOM 1492 CG PHE A 103 8.589 4.248 2.603 1.00 0.00 C ATOM 1493 CD1 PHE A 103 8.354 5.438 3.266 1.00 0.00 C ATOM 1494 CD2 PHE A 103 7.681 3.831 1.642 1.00 0.00 C ATOM 1495 CE1 PHE A 103 7.238 6.199 2.977 1.00 0.00 C ATOM 1496 CE2 PHE A 103 6.566 4.588 1.345 1.00 0.00 C ATOM 1497 CZ PHE A 103 6.343 5.774 2.016 1.00 0.00 C ATOM 0 H PHE A 103 10.735 3.584 0.239 1.00 0.00 H new ATOM 0 HA PHE A 103 11.513 4.666 2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.580 2.373 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.923 3.404 4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.051 5.777 4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.848 2.901 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.066 7.126 3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.870 4.254 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.470 6.368 1.789 1.00 0.00 H new ATOM 1506 N LYS A 104 12.594 2.293 3.399 1.00 0.00 N ATOM 1507 CA LYS A 104 13.514 1.166 3.486 1.00 0.00 C ATOM 1508 C LYS A 104 13.239 0.370 4.753 1.00 0.00 C ATOM 1509 O LYS A 104 12.653 0.895 5.698 1.00 0.00 O ATOM 1510 CB LYS A 104 14.976 1.645 3.460 1.00 0.00 C ATOM 1511 CG LYS A 104 15.538 2.075 4.814 1.00 0.00 C ATOM 1512 CD LYS A 104 14.818 3.287 5.386 1.00 0.00 C ATOM 1513 CE LYS A 104 15.329 3.633 6.776 1.00 0.00 C ATOM 1514 NZ LYS A 104 15.045 2.553 7.760 1.00 0.00 N ATOM 0 H LYS A 104 12.401 2.752 4.289 1.00 0.00 H new ATOM 0 HA LYS A 104 13.356 0.523 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.598 0.843 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.056 2.483 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.460 1.245 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.598 2.303 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.957 4.141 4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.747 3.088 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.404 3.811 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.865 4.561 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.425 2.822 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.017 2.412 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.494 1.670 7.445 1.00 0.00 H new ATOM 1524 N LYS A 105 13.678 -0.883 4.778 1.00 0.00 N ATOM 1525 CA LYS A 105 13.516 -1.724 5.957 1.00 0.00 C ATOM 1526 C LYS A 105 14.164 -1.052 7.170 1.00 0.00 C ATOM 1527 O LYS A 105 15.267 -0.508 7.070 1.00 0.00 O ATOM 1528 CB LYS A 105 14.150 -3.102 5.713 1.00 0.00 C ATOM 1529 CG LYS A 105 14.144 -4.024 6.926 1.00 0.00 C ATOM 1530 CD LYS A 105 12.733 -4.394 7.346 1.00 0.00 C ATOM 1531 CE LYS A 105 12.735 -5.360 8.520 1.00 0.00 C ATOM 1532 NZ LYS A 105 13.297 -4.750 9.756 1.00 0.00 N ATOM 0 H LYS A 105 14.148 -1.338 3.996 1.00 0.00 H new ATOM 0 HA LYS A 105 12.452 -1.858 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 105 13.619 -3.593 4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 105 15.180 -2.961 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 105 14.704 -4.930 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 105 14.654 -3.536 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.185 -3.492 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 105 12.208 -4.845 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 105 11.716 -5.694 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 105 13.316 -6.244 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 14.052 -5.359 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 13.687 -3.812 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 12.545 -4.652 10.468 1.00 0.00 H new ATOM 1542 N GLU A 106 13.464 -1.047 8.295 1.00 0.00 N ATOM 1543 CA GLU A 106 13.993 -0.444 9.507 1.00 0.00 C ATOM 1544 C GLU A 106 15.052 -1.358 10.105 1.00 0.00 C ATOM 1545 O GLU A 106 16.151 -0.868 10.435 1.00 0.00 O ATOM 1546 CB GLU A 106 12.873 -0.188 10.519 1.00 0.00 C ATOM 1547 CG GLU A 106 13.320 0.599 11.741 1.00 0.00 C ATOM 1548 CD GLU A 106 12.206 0.805 12.747 1.00 0.00 C ATOM 1549 OE1 GLU A 106 11.733 -0.191 13.335 1.00 0.00 O ATOM 1550 OE2 GLU A 106 11.798 1.964 12.956 1.00 0.00 O ATOM 1551 OXT GLU A 106 14.782 -2.573 10.221 1.00 0.00 O ATOM 0 H GLU A 106 12.533 -1.452 8.393 1.00 0.00 H new ATOM 0 HA GLU A 106 14.445 0.516 9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.066 0.353 10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.464 -1.145 10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.146 0.075 12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.700 1.570 11.423 1.00 0.00 H new TER 1556 GLU A 106