USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 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 64 ASN : amide:sc= -5.68! C(o=-7.9!,f=-7.2!) USER MOD Set 1.2: A 98 ASN : amide:sc= -2.18 X(o=-7.9,f=-7.8) USER MOD Set 2.1: A 87 SER OG : rot 180:sc= -0.0121 USER MOD Set 2.2: A 91 ASN : amide:sc= -3.48 X(o=-3.5,f=-3.8!) USER MOD Set 3.1: A 69 THR OG1 : rot 145:sc= 0.49 USER MOD Set 3.2: A 74 TYR OH : rot 100:sc= 0.123 USER MOD Set 4.1: A 11 THR OG1 : rot 87:sc= -0.14 USER MOD Set 4.2: A 16 TYR OH : rot 180:sc= -0.7 USER MOD Single : A 1 ASP N :NH3+ -109:sc= 0.0647 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00571 USER MOD Single : A 6 ASN : amide:sc= -8.5! K(o=-8.5!,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= -2.75! (180deg=-4.56!) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.025 (180deg=-0.477) USER MOD Single : A 18 SER OG : rot 95:sc= 0.941 USER MOD Single : A 22 THR OG1 : rot 110:sc= 0.5 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.927 K(o=-0.93,f=-4.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.6!) USER MOD Single : A 47 TYR OH : rot 80:sc= 1.22 USER MOD Single : A 53 SER OG : rot 180:sc=0.000382 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.0372 (180deg=-0.304) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -5.67! K(o=-5.7!,f=0.56) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= -0.114 (180deg=-0.789) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 98:sc= 0.0557 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 80.484 27.143 -11.424 1.00 0.00 N ATOM 2 CA ASP A 1 80.216 25.856 -10.721 1.00 0.00 C ATOM 3 C ASP A 1 81.224 25.678 -9.576 1.00 0.00 C ATOM 4 O ASP A 1 82.333 26.175 -9.640 1.00 0.00 O ATOM 5 CB ASP A 1 80.350 24.681 -11.715 1.00 0.00 C ATOM 6 CG ASP A 1 80.020 23.355 -11.004 1.00 0.00 C ATOM 7 OD1 ASP A 1 78.841 23.057 -10.927 1.00 0.00 O ATOM 8 OD2 ASP A 1 80.966 22.716 -10.575 1.00 0.00 O ATOM 0 H1 ASP A 1 79.725 27.821 -11.209 1.00 0.00 H new ATOM 0 H2 ASP A 1 81.395 27.530 -11.104 1.00 0.00 H new ATOM 0 H3 ASP A 1 80.520 26.977 -12.450 1.00 0.00 H new ATOM 0 HA ASP A 1 79.204 25.870 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 1 79.677 24.829 -12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 1 81.363 24.646 -12.117 1.00 0.00 H new ATOM 15 N ARG A 2 80.792 24.965 -8.565 1.00 0.00 N ATOM 16 CA ARG A 2 81.655 24.702 -7.372 1.00 0.00 C ATOM 17 C ARG A 2 82.224 23.282 -7.409 1.00 0.00 C ATOM 18 O ARG A 2 83.407 23.097 -7.199 1.00 0.00 O ATOM 19 CB ARG A 2 80.816 24.892 -6.092 1.00 0.00 C ATOM 20 CG ARG A 2 80.422 26.381 -5.898 1.00 0.00 C ATOM 21 CD ARG A 2 81.664 27.266 -5.615 1.00 0.00 C ATOM 22 NE ARG A 2 82.356 26.748 -4.388 1.00 0.00 N ATOM 23 CZ ARG A 2 83.522 26.147 -4.423 1.00 0.00 C ATOM 24 NH1 ARG A 2 84.167 25.964 -5.546 1.00 0.00 N ATOM 25 NH2 ARG A 2 84.022 25.734 -3.292 1.00 0.00 N ATOM 0 H ARG A 2 79.863 24.548 -8.516 1.00 0.00 H new ATOM 0 HA ARG A 2 82.490 25.403 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 2 79.916 24.279 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 2 81.383 24.547 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 2 79.912 26.743 -6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 2 79.717 26.467 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 2 82.343 27.248 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 2 81.363 28.303 -5.469 1.00 0.00 H new ATOM 0 HE ARG A 2 81.898 26.869 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 2 83.765 26.292 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 2 85.072 25.494 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 2 83.509 25.883 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 2 84.926 25.262 -3.276 1.00 0.00 H new ATOM 39 N ILE A 3 81.364 22.328 -7.672 1.00 0.00 N ATOM 40 CA ILE A 3 81.785 20.897 -7.738 1.00 0.00 C ATOM 41 C ILE A 3 82.745 20.652 -8.917 1.00 0.00 C ATOM 42 O ILE A 3 82.330 20.272 -9.997 1.00 0.00 O ATOM 43 CB ILE A 3 80.472 20.016 -7.845 1.00 0.00 C ATOM 44 CG1 ILE A 3 80.793 18.508 -8.056 1.00 0.00 C ATOM 45 CG2 ILE A 3 79.520 20.487 -8.973 1.00 0.00 C ATOM 46 CD1 ILE A 3 81.607 17.979 -6.869 1.00 0.00 C ATOM 0 H ILE A 3 80.371 22.486 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 3 82.339 20.620 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 3 79.967 20.147 -6.888 1.00 0.00 H new ATOM 0 HG12 ILE A 3 79.868 17.940 -8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 3 81.352 18.372 -8.982 1.00 0.00 H new ATOM 0 HG21 ILE A 3 78.639 19.846 -8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 3 79.214 21.516 -8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 3 80.036 20.431 -9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 3 81.829 16.923 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 3 82.539 18.538 -6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 3 81.032 18.100 -5.951 1.00 0.00 H new ATOM 58 N CYS A 4 84.016 20.880 -8.674 1.00 0.00 N ATOM 59 CA CYS A 4 85.012 20.664 -9.758 1.00 0.00 C ATOM 60 C CYS A 4 85.633 19.272 -9.752 1.00 0.00 C ATOM 61 O CYS A 4 86.824 19.071 -9.604 1.00 0.00 O ATOM 62 CB CYS A 4 86.118 21.759 -9.665 1.00 0.00 C ATOM 63 SG CYS A 4 85.840 23.270 -10.626 1.00 0.00 S ATOM 0 H CYS A 4 84.396 21.201 -7.784 1.00 0.00 H new ATOM 0 HA CYS A 4 84.477 20.743 -10.705 1.00 0.00 H new ATOM 0 HB2 CYS A 4 86.236 22.037 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 4 87.062 21.319 -9.986 1.00 0.00 H new ATOM 68 N THR A 5 84.740 18.335 -9.921 1.00 0.00 N ATOM 69 CA THR A 5 85.121 16.897 -9.960 1.00 0.00 C ATOM 70 C THR A 5 85.401 16.614 -11.444 1.00 0.00 C ATOM 71 O THR A 5 84.985 17.369 -12.304 1.00 0.00 O ATOM 72 CB THR A 5 83.936 16.068 -9.409 1.00 0.00 C ATOM 73 OG1 THR A 5 84.350 14.711 -9.515 1.00 0.00 O ATOM 74 CG2 THR A 5 82.695 16.167 -10.302 1.00 0.00 C ATOM 0 H THR A 5 83.742 18.511 -10.036 1.00 0.00 H new ATOM 0 HA THR A 5 85.991 16.642 -9.355 1.00 0.00 H new ATOM 0 HB THR A 5 83.692 16.418 -8.406 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.640 14.125 -9.178 1.00 0.00 H new ATOM 0 HG21 THR A 5 81.890 15.569 -9.874 1.00 0.00 H new ATOM 0 HG22 THR A 5 82.377 17.207 -10.369 1.00 0.00 H new ATOM 0 HG23 THR A 5 82.933 15.795 -11.299 1.00 0.00 H new ATOM 82 N ASN A 6 86.105 15.544 -11.697 1.00 0.00 N ATOM 83 CA ASN A 6 86.450 15.156 -13.103 1.00 0.00 C ATOM 84 C ASN A 6 86.857 13.670 -13.132 1.00 0.00 C ATOM 85 O ASN A 6 86.629 12.952 -12.177 1.00 0.00 O ATOM 86 CB ASN A 6 87.605 16.061 -13.572 1.00 0.00 C ATOM 87 CG ASN A 6 88.787 15.844 -12.628 1.00 0.00 C ATOM 88 OD1 ASN A 6 88.945 16.520 -11.632 1.00 0.00 O ATOM 89 ND2 ASN A 6 89.636 14.902 -12.913 1.00 0.00 N ATOM 0 H ASN A 6 86.462 14.911 -10.982 1.00 0.00 H new ATOM 0 HA ASN A 6 85.598 15.284 -13.771 1.00 0.00 H new ATOM 0 HB2 ASN A 6 87.886 15.820 -14.597 1.00 0.00 H new ATOM 0 HB3 ASN A 6 87.297 17.107 -13.564 1.00 0.00 H new ATOM 0 HD21 ASN A 6 90.433 14.732 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 6 89.505 14.333 -13.749 1.00 0.00 H new ATOM 96 N CYS A 7 87.446 13.263 -14.231 1.00 0.00 N ATOM 97 CA CYS A 7 87.897 11.848 -14.394 1.00 0.00 C ATOM 98 C CYS A 7 89.423 11.708 -14.573 1.00 0.00 C ATOM 99 O CYS A 7 90.015 10.768 -14.074 1.00 0.00 O ATOM 100 CB CYS A 7 87.202 11.256 -15.609 1.00 0.00 C ATOM 101 SG CYS A 7 87.257 9.449 -15.652 1.00 0.00 S ATOM 0 H CYS A 7 87.635 13.863 -15.034 1.00 0.00 H new ATOM 0 HA CYS A 7 87.636 11.318 -13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 7 86.162 11.582 -15.619 1.00 0.00 H new ATOM 0 HB3 CYS A 7 87.668 11.649 -16.513 1.00 0.00 H new ATOM 106 N CYS A 8 90.005 12.649 -15.276 1.00 0.00 N ATOM 107 CA CYS A 8 91.479 12.652 -15.548 1.00 0.00 C ATOM 108 C CYS A 8 92.262 12.764 -14.240 1.00 0.00 C ATOM 109 O CYS A 8 93.026 11.889 -13.878 1.00 0.00 O ATOM 110 CB CYS A 8 91.773 13.838 -16.474 1.00 0.00 C ATOM 111 SG CYS A 8 93.477 14.155 -16.998 1.00 0.00 S ATOM 0 H CYS A 8 89.505 13.439 -15.685 1.00 0.00 H new ATOM 0 HA CYS A 8 91.787 11.722 -16.025 1.00 0.00 H new ATOM 0 HB2 CYS A 8 91.173 13.707 -17.374 1.00 0.00 H new ATOM 0 HB3 CYS A 8 91.410 14.738 -15.978 1.00 0.00 H new ATOM 116 N ALA A 9 92.021 13.865 -13.581 1.00 0.00 N ATOM 117 CA ALA A 9 92.686 14.163 -12.274 1.00 0.00 C ATOM 118 C ALA A 9 91.821 13.605 -11.127 1.00 0.00 C ATOM 119 O ALA A 9 91.848 14.108 -10.019 1.00 0.00 O ATOM 120 CB ALA A 9 92.845 15.688 -12.142 1.00 0.00 C ATOM 0 H ALA A 9 91.376 14.589 -13.899 1.00 0.00 H new ATOM 0 HA ALA A 9 93.669 13.695 -12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 9 93.329 15.923 -11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 9 93.456 16.063 -12.963 1.00 0.00 H new ATOM 0 HB3 ALA A 9 91.863 16.160 -12.175 1.00 0.00 H new ATOM 126 N GLY A 10 91.077 12.572 -11.442 1.00 0.00 N ATOM 127 CA GLY A 10 90.184 11.920 -10.440 1.00 0.00 C ATOM 128 C GLY A 10 90.993 11.116 -9.413 1.00 0.00 C ATOM 129 O GLY A 10 91.790 11.672 -8.683 1.00 0.00 O ATOM 0 H GLY A 10 91.053 12.148 -12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 10 89.593 12.679 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 10 89.482 11.261 -10.950 1.00 0.00 H new ATOM 133 N THR A 11 90.753 9.829 -9.393 1.00 0.00 N ATOM 134 CA THR A 11 91.461 8.907 -8.447 1.00 0.00 C ATOM 135 C THR A 11 91.457 7.508 -9.076 1.00 0.00 C ATOM 136 O THR A 11 90.526 6.752 -8.876 1.00 0.00 O ATOM 137 CB THR A 11 90.712 8.884 -7.086 1.00 0.00 C ATOM 138 OG1 THR A 11 90.748 10.221 -6.608 1.00 0.00 O ATOM 139 CG2 THR A 11 91.495 8.085 -6.025 1.00 0.00 C ATOM 0 H THR A 11 90.081 9.367 -10.006 1.00 0.00 H new ATOM 0 HA THR A 11 92.484 9.240 -8.270 1.00 0.00 H new ATOM 0 HB THR A 11 89.720 8.456 -7.231 1.00 0.00 H new ATOM 0 HG1 THR A 11 89.984 10.718 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 11 90.943 8.089 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 11 91.624 7.058 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 11 92.473 8.543 -5.873 1.00 0.00 H new ATOM 147 N LYS A 12 92.497 7.204 -9.818 1.00 0.00 N ATOM 148 CA LYS A 12 92.598 5.870 -10.483 1.00 0.00 C ATOM 149 C LYS A 12 92.447 4.750 -9.446 1.00 0.00 C ATOM 150 O LYS A 12 93.284 4.567 -8.583 1.00 0.00 O ATOM 151 CB LYS A 12 93.968 5.825 -11.210 1.00 0.00 C ATOM 152 CG LYS A 12 94.095 4.585 -12.145 1.00 0.00 C ATOM 153 CD LYS A 12 94.423 3.244 -11.424 1.00 0.00 C ATOM 154 CE LYS A 12 95.885 3.205 -10.920 1.00 0.00 C ATOM 155 NZ LYS A 12 96.126 4.173 -9.816 1.00 0.00 N ATOM 0 H LYS A 12 93.284 7.829 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 12 91.800 5.721 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 12 94.097 6.735 -11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 12 94.769 5.805 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 12 93.160 4.466 -12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 12 94.874 4.783 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 12 93.745 3.109 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 12 94.252 2.412 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 12 96.122 2.198 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 12 96.559 3.426 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 96.728 3.731 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 96.601 5.018 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.218 4.447 -9.390 1.00 0.00 H new ATOM 169 N GLY A 13 91.351 4.047 -9.588 1.00 0.00 N ATOM 170 CA GLY A 13 91.009 2.911 -8.680 1.00 0.00 C ATOM 171 C GLY A 13 89.532 3.000 -8.270 1.00 0.00 C ATOM 172 O GLY A 13 88.898 1.992 -8.028 1.00 0.00 O ATOM 0 H GLY A 13 90.660 4.220 -10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 13 91.200 1.962 -9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 13 91.644 2.937 -7.794 1.00 0.00 H new ATOM 176 N CYS A 14 89.026 4.209 -8.211 1.00 0.00 N ATOM 177 CA CYS A 14 87.599 4.431 -7.822 1.00 0.00 C ATOM 178 C CYS A 14 86.683 4.391 -9.051 1.00 0.00 C ATOM 179 O CYS A 14 87.142 4.171 -10.156 1.00 0.00 O ATOM 180 CB CYS A 14 87.515 5.787 -7.106 1.00 0.00 C ATOM 181 SG CYS A 14 88.415 5.916 -5.540 1.00 0.00 S ATOM 0 H CYS A 14 89.548 5.060 -8.418 1.00 0.00 H new ATOM 0 HA CYS A 14 87.261 3.638 -7.155 1.00 0.00 H new ATOM 0 HB2 CYS A 14 87.890 6.556 -7.782 1.00 0.00 H new ATOM 0 HB3 CYS A 14 86.465 6.012 -6.918 1.00 0.00 H new ATOM 186 N LYS A 15 85.413 4.609 -8.814 1.00 0.00 N ATOM 187 CA LYS A 15 84.399 4.592 -9.908 1.00 0.00 C ATOM 188 C LYS A 15 83.519 5.842 -9.869 1.00 0.00 C ATOM 189 O LYS A 15 82.510 5.872 -9.189 1.00 0.00 O ATOM 190 CB LYS A 15 83.543 3.307 -9.745 1.00 0.00 C ATOM 191 CG LYS A 15 84.385 2.034 -9.994 1.00 0.00 C ATOM 192 CD LYS A 15 84.753 1.914 -11.495 1.00 0.00 C ATOM 193 CE LYS A 15 85.616 0.662 -11.722 1.00 0.00 C ATOM 194 NZ LYS A 15 84.889 -0.561 -11.277 1.00 0.00 N ATOM 0 H LYS A 15 85.031 4.802 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 15 84.900 4.591 -10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 15 83.120 3.275 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.706 3.334 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 15 85.293 2.068 -9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.826 1.153 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 15 83.846 1.856 -12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 15 85.294 2.803 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 15 85.872 0.576 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 86.553 0.755 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 85.331 -1.401 -11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 84.933 -0.633 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 83.895 -0.503 -11.578 1.00 0.00 H new ATOM 208 N TYR A 16 83.945 6.835 -10.610 1.00 0.00 N ATOM 209 CA TYR A 16 83.193 8.125 -10.685 1.00 0.00 C ATOM 210 C TYR A 16 81.784 7.829 -11.197 1.00 0.00 C ATOM 211 O TYR A 16 81.587 7.135 -12.176 1.00 0.00 O ATOM 212 CB TYR A 16 83.980 9.069 -11.611 1.00 0.00 C ATOM 213 CG TYR A 16 85.169 9.566 -10.767 1.00 0.00 C ATOM 214 CD1 TYR A 16 86.301 8.790 -10.587 1.00 0.00 C ATOM 215 CD2 TYR A 16 85.105 10.801 -10.151 1.00 0.00 C ATOM 216 CE1 TYR A 16 87.343 9.243 -9.802 1.00 0.00 C ATOM 217 CE2 TYR A 16 86.146 11.252 -9.369 1.00 0.00 C ATOM 218 CZ TYR A 16 87.271 10.477 -9.188 1.00 0.00 C ATOM 219 OH TYR A 16 88.300 10.935 -8.395 1.00 0.00 O ATOM 0 H TYR A 16 84.794 6.805 -11.174 1.00 0.00 H new ATOM 0 HA TYR A 16 83.092 8.610 -9.714 1.00 0.00 H new ATOM 0 HB2 TYR A 16 84.323 8.548 -12.505 1.00 0.00 H new ATOM 0 HB3 TYR A 16 83.359 9.901 -11.945 1.00 0.00 H new ATOM 0 HD1 TYR A 16 86.370 7.823 -11.064 1.00 0.00 H new ATOM 0 HD2 TYR A 16 84.230 11.420 -10.284 1.00 0.00 H new ATOM 0 HE1 TYR A 16 88.220 8.627 -9.668 1.00 0.00 H new ATOM 0 HE2 TYR A 16 86.080 12.220 -8.894 1.00 0.00 H new ATOM 0 HH TYR A 16 88.075 11.823 -8.047 1.00 0.00 H new ATOM 229 N PHE A 17 80.850 8.390 -10.479 1.00 0.00 N ATOM 230 CA PHE A 17 79.402 8.223 -10.782 1.00 0.00 C ATOM 231 C PHE A 17 78.577 9.501 -10.550 1.00 0.00 C ATOM 232 O PHE A 17 78.980 10.395 -9.831 1.00 0.00 O ATOM 233 CB PHE A 17 78.996 7.014 -9.891 1.00 0.00 C ATOM 234 CG PHE A 17 77.540 6.992 -9.413 1.00 0.00 C ATOM 235 CD1 PHE A 17 77.111 7.911 -8.477 1.00 0.00 C ATOM 236 CD2 PHE A 17 76.650 6.052 -9.891 1.00 0.00 C ATOM 237 CE1 PHE A 17 75.816 7.892 -8.026 1.00 0.00 C ATOM 238 CE2 PHE A 17 75.350 6.030 -9.442 1.00 0.00 C ATOM 239 CZ PHE A 17 74.929 6.952 -8.506 1.00 0.00 C ATOM 0 H PHE A 17 81.040 8.977 -9.667 1.00 0.00 H new ATOM 0 HA PHE A 17 79.202 8.035 -11.837 1.00 0.00 H new ATOM 0 HB2 PHE A 17 79.189 6.097 -10.447 1.00 0.00 H new ATOM 0 HB3 PHE A 17 79.645 6.999 -9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 17 77.800 8.651 -8.097 1.00 0.00 H new ATOM 0 HD2 PHE A 17 76.977 5.328 -10.623 1.00 0.00 H new ATOM 0 HE1 PHE A 17 75.490 8.615 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 17 74.659 5.292 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 17 73.909 6.937 -8.151 1.00 0.00 H new ATOM 249 N SER A 18 77.433 9.512 -11.188 1.00 0.00 N ATOM 250 CA SER A 18 76.471 10.656 -11.108 1.00 0.00 C ATOM 251 C SER A 18 75.260 10.318 -10.218 1.00 0.00 C ATOM 252 O SER A 18 74.665 9.260 -10.327 1.00 0.00 O ATOM 253 CB SER A 18 76.000 11.002 -12.534 1.00 0.00 C ATOM 254 OG SER A 18 75.006 12.005 -12.367 1.00 0.00 O ATOM 0 H SER A 18 77.115 8.747 -11.783 1.00 0.00 H new ATOM 0 HA SER A 18 76.976 11.510 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 18 76.827 11.365 -13.144 1.00 0.00 H new ATOM 0 HB3 SER A 18 75.593 10.125 -13.038 1.00 0.00 H new ATOM 0 HG SER A 18 75.416 12.890 -12.459 1.00 0.00 H new ATOM 260 N ASP A 19 74.963 11.275 -9.375 1.00 0.00 N ATOM 261 CA ASP A 19 73.833 11.218 -8.388 1.00 0.00 C ATOM 262 C ASP A 19 72.477 10.772 -8.950 1.00 0.00 C ATOM 263 O ASP A 19 71.679 10.215 -8.221 1.00 0.00 O ATOM 264 CB ASP A 19 73.653 12.609 -7.760 1.00 0.00 C ATOM 265 CG ASP A 19 73.354 13.633 -8.880 1.00 0.00 C ATOM 266 OD1 ASP A 19 74.311 14.063 -9.504 1.00 0.00 O ATOM 267 OD2 ASP A 19 72.181 13.922 -9.051 1.00 0.00 O ATOM 0 H ASP A 19 75.490 12.147 -9.328 1.00 0.00 H new ATOM 0 HA ASP A 19 74.124 10.454 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 19 72.837 12.593 -7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 19 74.554 12.897 -7.218 1.00 0.00 H new ATOM 272 N ASP A 20 72.258 11.030 -10.216 1.00 0.00 N ATOM 273 CA ASP A 20 70.965 10.643 -10.874 1.00 0.00 C ATOM 274 C ASP A 20 70.634 9.158 -10.643 1.00 0.00 C ATOM 275 O ASP A 20 69.492 8.750 -10.723 1.00 0.00 O ATOM 276 CB ASP A 20 71.073 10.917 -12.390 1.00 0.00 C ATOM 277 CG ASP A 20 71.998 9.887 -13.075 1.00 0.00 C ATOM 278 OD1 ASP A 20 73.130 9.765 -12.636 1.00 0.00 O ATOM 279 OD2 ASP A 20 71.507 9.273 -14.007 1.00 0.00 O ATOM 0 H ASP A 20 72.925 11.497 -10.830 1.00 0.00 H new ATOM 0 HA ASP A 20 70.163 11.236 -10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 20 70.082 10.878 -12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 20 71.459 11.923 -12.555 1.00 0.00 H new ATOM 284 N GLY A 21 71.674 8.413 -10.363 1.00 0.00 N ATOM 285 CA GLY A 21 71.559 6.949 -10.107 1.00 0.00 C ATOM 286 C GLY A 21 72.236 6.194 -11.247 1.00 0.00 C ATOM 287 O GLY A 21 71.869 5.071 -11.534 1.00 0.00 O ATOM 0 H GLY A 21 72.626 8.773 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 21 72.027 6.695 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 21 70.511 6.660 -10.034 1.00 0.00 H new ATOM 291 N THR A 22 73.203 6.831 -11.866 1.00 0.00 N ATOM 292 CA THR A 22 73.932 6.187 -12.998 1.00 0.00 C ATOM 293 C THR A 22 75.432 6.470 -12.914 1.00 0.00 C ATOM 294 O THR A 22 75.846 7.553 -12.550 1.00 0.00 O ATOM 295 CB THR A 22 73.373 6.741 -14.306 1.00 0.00 C ATOM 296 OG1 THR A 22 71.985 6.443 -14.268 1.00 0.00 O ATOM 297 CG2 THR A 22 73.894 5.977 -15.539 1.00 0.00 C ATOM 0 H THR A 22 73.517 7.773 -11.632 1.00 0.00 H new ATOM 0 HA THR A 22 73.792 5.107 -12.950 1.00 0.00 H new ATOM 0 HB THR A 22 73.642 7.794 -14.388 1.00 0.00 H new ATOM 0 HG1 THR A 22 71.475 7.273 -14.157 1.00 0.00 H new ATOM 0 HG21 THR A 22 73.466 6.410 -16.443 1.00 0.00 H new ATOM 0 HG22 THR A 22 74.981 6.051 -15.580 1.00 0.00 H new ATOM 0 HG23 THR A 22 73.604 4.929 -15.467 1.00 0.00 H new ATOM 305 N PHE A 23 76.187 5.462 -13.265 1.00 0.00 N ATOM 306 CA PHE A 23 77.680 5.534 -13.259 1.00 0.00 C ATOM 307 C PHE A 23 78.159 6.474 -14.375 1.00 0.00 C ATOM 308 O PHE A 23 77.421 6.752 -15.301 1.00 0.00 O ATOM 309 CB PHE A 23 78.183 4.092 -13.440 1.00 0.00 C ATOM 310 CG PHE A 23 79.681 4.034 -13.785 1.00 0.00 C ATOM 311 CD1 PHE A 23 80.646 4.134 -12.815 1.00 0.00 C ATOM 312 CD2 PHE A 23 80.080 3.874 -15.090 1.00 0.00 C ATOM 313 CE1 PHE A 23 81.985 4.074 -13.141 1.00 0.00 C ATOM 314 CE2 PHE A 23 81.414 3.812 -15.428 1.00 0.00 C ATOM 315 CZ PHE A 23 82.418 3.910 -14.461 1.00 0.00 C ATOM 0 H PHE A 23 75.817 4.560 -13.566 1.00 0.00 H new ATOM 0 HA PHE A 23 78.074 5.944 -12.329 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.001 3.529 -12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.611 3.607 -14.231 1.00 0.00 H new ATOM 0 HD1 PHE A 23 80.354 4.261 -11.783 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.333 3.795 -15.866 1.00 0.00 H new ATOM 0 HE1 PHE A 23 82.720 4.156 -12.354 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.690 3.685 -16.464 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.466 3.862 -14.718 1.00 0.00 H new ATOM 325 N VAL A 24 79.380 6.930 -14.247 1.00 0.00 N ATOM 326 CA VAL A 24 79.959 7.857 -15.268 1.00 0.00 C ATOM 327 C VAL A 24 81.312 7.360 -15.802 1.00 0.00 C ATOM 328 O VAL A 24 81.386 6.925 -16.935 1.00 0.00 O ATOM 329 CB VAL A 24 80.101 9.262 -14.610 1.00 0.00 C ATOM 330 CG1 VAL A 24 80.678 10.270 -15.624 1.00 0.00 C ATOM 331 CG2 VAL A 24 78.713 9.772 -14.173 1.00 0.00 C ATOM 0 H VAL A 24 80.004 6.699 -13.474 1.00 0.00 H new ATOM 0 HA VAL A 24 79.294 7.904 -16.130 1.00 0.00 H new ATOM 0 HB VAL A 24 80.766 9.173 -13.751 1.00 0.00 H new ATOM 0 HG11 VAL A 24 80.772 11.248 -15.152 1.00 0.00 H new ATOM 0 HG12 VAL A 24 81.659 9.931 -15.956 1.00 0.00 H new ATOM 0 HG13 VAL A 24 80.011 10.345 -16.483 1.00 0.00 H new ATOM 0 HG21 VAL A 24 78.815 10.755 -13.713 1.00 0.00 H new ATOM 0 HG22 VAL A 24 78.061 9.845 -15.044 1.00 0.00 H new ATOM 0 HG23 VAL A 24 78.280 9.077 -13.453 1.00 0.00 H new ATOM 341 N CYS A 25 82.336 7.431 -14.985 1.00 0.00 N ATOM 342 CA CYS A 25 83.694 6.973 -15.429 1.00 0.00 C ATOM 343 C CYS A 25 84.459 6.320 -14.264 1.00 0.00 C ATOM 344 O CYS A 25 83.952 6.189 -13.169 1.00 0.00 O ATOM 345 CB CYS A 25 84.498 8.186 -15.924 1.00 0.00 C ATOM 346 SG CYS A 25 85.577 8.919 -14.667 1.00 0.00 S ATOM 0 H CYS A 25 82.291 7.786 -14.030 1.00 0.00 H new ATOM 0 HA CYS A 25 83.568 6.241 -16.227 1.00 0.00 H new ATOM 0 HB2 CYS A 25 85.105 7.883 -16.777 1.00 0.00 H new ATOM 0 HB3 CYS A 25 83.804 8.947 -16.281 1.00 0.00 H new ATOM 351 N GLU A 26 85.672 5.933 -14.566 1.00 0.00 N ATOM 352 CA GLU A 26 86.584 5.286 -13.571 1.00 0.00 C ATOM 353 C GLU A 26 87.708 6.313 -13.372 1.00 0.00 C ATOM 354 O GLU A 26 88.075 6.984 -14.319 1.00 0.00 O ATOM 355 CB GLU A 26 87.151 3.981 -14.158 1.00 0.00 C ATOM 356 CG GLU A 26 88.088 3.308 -13.125 1.00 0.00 C ATOM 357 CD GLU A 26 88.789 2.103 -13.774 1.00 0.00 C ATOM 358 OE1 GLU A 26 88.196 1.036 -13.737 1.00 0.00 O ATOM 359 OE2 GLU A 26 89.882 2.320 -14.272 1.00 0.00 O ATOM 0 H GLU A 26 86.082 6.043 -15.493 1.00 0.00 H new ATOM 0 HA GLU A 26 86.084 5.028 -12.638 1.00 0.00 H new ATOM 0 HB2 GLU A 26 86.337 3.305 -14.420 1.00 0.00 H new ATOM 0 HB3 GLU A 26 87.698 4.192 -15.077 1.00 0.00 H new ATOM 0 HG2 GLU A 26 88.829 4.024 -12.770 1.00 0.00 H new ATOM 0 HG3 GLU A 26 87.515 2.984 -12.256 1.00 0.00 H new ATOM 366 N GLY A 27 88.236 6.420 -12.176 1.00 0.00 N ATOM 367 CA GLY A 27 89.335 7.411 -11.946 1.00 0.00 C ATOM 368 C GLY A 27 90.520 7.154 -12.888 1.00 0.00 C ATOM 369 O GLY A 27 90.740 6.033 -13.307 1.00 0.00 O ATOM 0 H GLY A 27 87.959 5.873 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 27 88.956 8.421 -12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 27 89.671 7.352 -10.911 1.00 0.00 H new ATOM 373 N GLU A 28 91.242 8.205 -13.193 1.00 0.00 N ATOM 374 CA GLU A 28 92.427 8.087 -14.105 1.00 0.00 C ATOM 375 C GLU A 28 93.689 8.674 -13.457 1.00 0.00 C ATOM 376 O GLU A 28 94.777 8.497 -13.972 1.00 0.00 O ATOM 377 CB GLU A 28 92.136 8.842 -15.409 1.00 0.00 C ATOM 378 CG GLU A 28 90.845 8.310 -16.062 1.00 0.00 C ATOM 379 CD GLU A 28 90.560 9.129 -17.332 1.00 0.00 C ATOM 380 OE1 GLU A 28 89.943 10.172 -17.181 1.00 0.00 O ATOM 381 OE2 GLU A 28 90.978 8.669 -18.382 1.00 0.00 O ATOM 0 H GLU A 28 91.061 9.147 -12.847 1.00 0.00 H new ATOM 0 HA GLU A 28 92.602 7.030 -14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 28 92.035 9.908 -15.205 1.00 0.00 H new ATOM 0 HB3 GLU A 28 92.973 8.727 -16.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 90.955 7.254 -16.310 1.00 0.00 H new ATOM 0 HG3 GLU A 28 90.010 8.389 -15.366 1.00 0.00 H new ATOM 388 N SER A 29 93.510 9.349 -12.348 1.00 0.00 N ATOM 389 CA SER A 29 94.670 9.964 -11.634 1.00 0.00 C ATOM 390 C SER A 29 95.535 8.881 -10.968 1.00 0.00 C ATOM 391 O SER A 29 95.301 8.494 -9.838 1.00 0.00 O ATOM 392 CB SER A 29 94.122 10.939 -10.585 1.00 0.00 C ATOM 393 OG SER A 29 95.274 11.542 -10.011 1.00 0.00 O ATOM 0 H SER A 29 92.604 9.501 -11.905 1.00 0.00 H new ATOM 0 HA SER A 29 95.304 10.496 -12.343 1.00 0.00 H new ATOM 0 HB2 SER A 29 93.471 11.685 -11.041 1.00 0.00 H new ATOM 0 HB3 SER A 29 93.531 10.418 -9.831 1.00 0.00 H new ATOM 0 HG SER A 29 94.999 12.186 -9.325 1.00 0.00 H new ATOM 399 N ASP A 30 96.512 8.430 -11.712 1.00 0.00 N ATOM 400 CA ASP A 30 97.444 7.379 -11.213 1.00 0.00 C ATOM 401 C ASP A 30 98.743 8.059 -10.722 1.00 0.00 C ATOM 402 O ASP A 30 99.485 8.589 -11.527 1.00 0.00 O ATOM 403 CB ASP A 30 97.729 6.399 -12.369 1.00 0.00 C ATOM 404 CG ASP A 30 98.860 5.421 -11.990 1.00 0.00 C ATOM 405 OD1 ASP A 30 98.747 4.808 -10.940 1.00 0.00 O ATOM 406 OD2 ASP A 30 99.785 5.342 -12.781 1.00 0.00 O ATOM 0 H ASP A 30 96.705 8.752 -12.660 1.00 0.00 H new ATOM 0 HA ASP A 30 97.010 6.826 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 30 96.824 5.841 -12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.008 6.956 -13.264 1.00 0.00 H new ATOM 411 N PRO A 31 98.988 8.029 -9.426 1.00 0.00 N ATOM 412 CA PRO A 31 100.067 8.842 -8.785 1.00 0.00 C ATOM 413 C PRO A 31 101.463 8.547 -9.354 1.00 0.00 C ATOM 414 O PRO A 31 102.373 9.330 -9.160 1.00 0.00 O ATOM 415 CB PRO A 31 99.990 8.538 -7.286 1.00 0.00 C ATOM 416 CG PRO A 31 98.999 7.380 -7.107 1.00 0.00 C ATOM 417 CD PRO A 31 98.248 7.192 -8.430 1.00 0.00 C ATOM 0 HA PRO A 31 99.912 9.901 -8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 31 100.972 8.267 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 31 99.659 9.416 -6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 31 99.526 6.466 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 31 98.300 7.598 -6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 31 98.235 6.144 -8.729 1.00 0.00 H new ATOM 0 HD3 PRO A 31 97.210 7.511 -8.342 1.00 0.00 H new ATOM 425 N ARG A 32 101.593 7.433 -10.034 1.00 0.00 N ATOM 426 CA ARG A 32 102.914 7.057 -10.628 1.00 0.00 C ATOM 427 C ARG A 32 103.325 8.143 -11.633 1.00 0.00 C ATOM 428 O ARG A 32 104.435 8.639 -11.585 1.00 0.00 O ATOM 429 CB ARG A 32 102.772 5.695 -11.336 1.00 0.00 C ATOM 430 CG ARG A 32 104.157 5.197 -11.809 1.00 0.00 C ATOM 431 CD ARG A 32 103.990 3.842 -12.524 1.00 0.00 C ATOM 432 NE ARG A 32 105.341 3.355 -12.958 1.00 0.00 N ATOM 433 CZ ARG A 32 105.937 3.823 -14.027 1.00 0.00 C ATOM 434 NH1 ARG A 32 105.370 4.743 -14.762 1.00 0.00 N ATOM 435 NH2 ARG A 32 107.111 3.341 -14.333 1.00 0.00 N ATOM 0 H ARG A 32 100.839 6.767 -10.203 1.00 0.00 H new ATOM 0 HA ARG A 32 103.677 6.976 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 32 102.328 4.968 -10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 32 102.099 5.788 -12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 32 104.608 5.925 -12.484 1.00 0.00 H new ATOM 0 HG3 ARG A 32 104.830 5.092 -10.958 1.00 0.00 H new ATOM 0 HD2 ARG A 32 103.524 3.118 -11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 32 103.332 3.949 -13.387 1.00 0.00 H new ATOM 0 HE ARG A 32 105.810 2.638 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 32 104.452 5.106 -14.506 1.00 0.00 H new ATOM 0 HH12 ARG A 32 105.846 5.098 -15.591 1.00 0.00 H new ATOM 0 HH21 ARG A 32 107.536 2.623 -13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 32 107.603 3.683 -15.158 1.00 0.00 H new ATOM 449 N ASN A 33 102.408 8.470 -12.510 1.00 0.00 N ATOM 450 CA ASN A 33 102.669 9.515 -13.548 1.00 0.00 C ATOM 451 C ASN A 33 102.248 10.913 -13.037 1.00 0.00 C ATOM 452 O ASN A 33 101.104 11.096 -12.665 1.00 0.00 O ATOM 453 CB ASN A 33 101.884 9.149 -14.833 1.00 0.00 C ATOM 454 CG ASN A 33 100.401 8.908 -14.526 1.00 0.00 C ATOM 455 OD1 ASN A 33 99.999 7.807 -14.211 1.00 0.00 O ATOM 456 ND2 ASN A 33 99.559 9.902 -14.605 1.00 0.00 N ATOM 0 H ASN A 33 101.478 8.052 -12.551 1.00 0.00 H new ATOM 0 HA ASN A 33 103.736 9.550 -13.766 1.00 0.00 H new ATOM 0 HB2 ASN A 33 101.981 9.952 -15.563 1.00 0.00 H new ATOM 0 HB3 ASN A 33 102.315 8.255 -15.284 1.00 0.00 H new ATOM 0 HD21 ASN A 33 98.571 9.751 -14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 33 99.889 10.830 -14.869 1.00 0.00 H new ATOM 463 N PRO A 34 103.160 11.863 -13.017 1.00 0.00 N ATOM 464 CA PRO A 34 102.820 13.307 -12.857 1.00 0.00 C ATOM 465 C PRO A 34 102.309 13.853 -14.201 1.00 0.00 C ATOM 466 O PRO A 34 103.014 13.793 -15.191 1.00 0.00 O ATOM 467 CB PRO A 34 104.108 13.977 -12.400 1.00 0.00 C ATOM 468 CG PRO A 34 105.255 13.020 -12.783 1.00 0.00 C ATOM 469 CD PRO A 34 104.634 11.654 -13.138 1.00 0.00 C ATOM 0 HA PRO A 34 102.028 13.491 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 34 104.234 14.947 -12.882 1.00 0.00 H new ATOM 0 HB3 PRO A 34 104.093 14.155 -11.325 1.00 0.00 H new ATOM 0 HG2 PRO A 34 105.815 13.416 -13.630 1.00 0.00 H new ATOM 0 HG3 PRO A 34 105.958 12.916 -11.956 1.00 0.00 H new ATOM 0 HD2 PRO A 34 104.908 11.345 -14.147 1.00 0.00 H new ATOM 0 HD3 PRO A 34 104.980 10.874 -12.460 1.00 0.00 H new ATOM 477 N LYS A 35 101.103 14.366 -14.199 1.00 0.00 N ATOM 478 CA LYS A 35 100.509 14.926 -15.454 1.00 0.00 C ATOM 479 C LYS A 35 99.370 15.903 -15.123 1.00 0.00 C ATOM 480 O LYS A 35 98.738 15.807 -14.088 1.00 0.00 O ATOM 481 CB LYS A 35 99.985 13.747 -16.318 1.00 0.00 C ATOM 482 CG LYS A 35 99.375 14.215 -17.667 1.00 0.00 C ATOM 483 CD LYS A 35 100.426 14.941 -18.541 1.00 0.00 C ATOM 484 CE LYS A 35 99.761 15.401 -19.847 1.00 0.00 C ATOM 485 NZ LYS A 35 100.751 16.122 -20.694 1.00 0.00 N ATOM 0 H LYS A 35 100.501 14.421 -13.378 1.00 0.00 H new ATOM 0 HA LYS A 35 101.268 15.480 -16.007 1.00 0.00 H new ATOM 0 HB2 LYS A 35 100.804 13.055 -16.515 1.00 0.00 H new ATOM 0 HB3 LYS A 35 99.231 13.197 -15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 35 98.982 13.354 -18.208 1.00 0.00 H new ATOM 0 HG3 LYS A 35 98.535 14.883 -17.476 1.00 0.00 H new ATOM 0 HD2 LYS A 35 100.834 15.798 -18.005 1.00 0.00 H new ATOM 0 HD3 LYS A 35 101.260 14.274 -18.758 1.00 0.00 H new ATOM 0 HE2 LYS A 35 99.366 14.540 -20.387 1.00 0.00 H new ATOM 0 HE3 LYS A 35 98.916 16.053 -19.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 100.294 16.430 -21.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 101.108 16.953 -20.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 101.544 15.487 -20.918 1.00 0.00 H new ATOM 499 N ALA A 36 99.158 16.813 -16.038 1.00 0.00 N ATOM 500 CA ALA A 36 98.091 17.853 -15.891 1.00 0.00 C ATOM 501 C ALA A 36 96.749 17.361 -16.458 1.00 0.00 C ATOM 502 O ALA A 36 96.679 16.319 -17.081 1.00 0.00 O ATOM 503 CB ALA A 36 98.544 19.118 -16.636 1.00 0.00 C ATOM 0 H ALA A 36 99.693 16.882 -16.904 1.00 0.00 H new ATOM 0 HA ALA A 36 97.941 18.066 -14.832 1.00 0.00 H new ATOM 0 HB1 ALA A 36 97.780 19.889 -16.541 1.00 0.00 H new ATOM 0 HB2 ALA A 36 99.479 19.478 -16.206 1.00 0.00 H new ATOM 0 HB3 ALA A 36 98.696 18.885 -17.690 1.00 0.00 H new ATOM 509 N CYS A 37 95.721 18.137 -16.218 1.00 0.00 N ATOM 510 CA CYS A 37 94.351 17.785 -16.708 1.00 0.00 C ATOM 511 C CYS A 37 93.470 19.026 -16.910 1.00 0.00 C ATOM 512 O CYS A 37 93.756 20.095 -16.405 1.00 0.00 O ATOM 513 CB CYS A 37 93.660 16.863 -15.695 1.00 0.00 C ATOM 514 SG CYS A 37 94.280 15.180 -15.454 1.00 0.00 S ATOM 0 H CYS A 37 95.773 19.012 -15.696 1.00 0.00 H new ATOM 0 HA CYS A 37 94.474 17.288 -17.670 1.00 0.00 H new ATOM 0 HB2 CYS A 37 93.687 17.363 -14.727 1.00 0.00 H new ATOM 0 HB3 CYS A 37 92.612 16.787 -15.985 1.00 0.00 H new ATOM 519 N THR A 38 92.416 18.813 -17.658 1.00 0.00 N ATOM 520 CA THR A 38 91.426 19.886 -17.974 1.00 0.00 C ATOM 521 C THR A 38 90.158 19.516 -17.192 1.00 0.00 C ATOM 522 O THR A 38 89.308 18.793 -17.676 1.00 0.00 O ATOM 523 CB THR A 38 91.176 19.891 -19.501 1.00 0.00 C ATOM 524 OG1 THR A 38 92.447 20.186 -20.063 1.00 0.00 O ATOM 525 CG2 THR A 38 90.284 21.070 -19.929 1.00 0.00 C ATOM 0 H THR A 38 92.195 17.909 -18.076 1.00 0.00 H new ATOM 0 HA THR A 38 91.765 20.884 -17.696 1.00 0.00 H new ATOM 0 HB THR A 38 90.714 18.951 -19.804 1.00 0.00 H new ATOM 0 HG1 THR A 38 92.376 20.207 -21.040 1.00 0.00 H new ATOM 0 HG21 THR A 38 90.132 21.038 -21.008 1.00 0.00 H new ATOM 0 HG22 THR A 38 89.320 20.999 -19.425 1.00 0.00 H new ATOM 0 HG23 THR A 38 90.767 22.009 -19.658 1.00 0.00 H new ATOM 533 N LEU A 39 90.080 20.034 -15.992 1.00 0.00 N ATOM 534 CA LEU A 39 88.905 19.756 -15.113 1.00 0.00 C ATOM 535 C LEU A 39 87.727 20.642 -15.523 1.00 0.00 C ATOM 536 O LEU A 39 86.722 20.148 -16.001 1.00 0.00 O ATOM 537 CB LEU A 39 89.274 20.042 -13.631 1.00 0.00 C ATOM 538 CG LEU A 39 90.325 19.040 -13.061 1.00 0.00 C ATOM 539 CD1 LEU A 39 91.732 19.241 -13.673 1.00 0.00 C ATOM 540 CD2 LEU A 39 90.412 19.222 -11.531 1.00 0.00 C ATOM 0 H LEU A 39 90.787 20.643 -15.581 1.00 0.00 H new ATOM 0 HA LEU A 39 88.624 18.708 -15.220 1.00 0.00 H new ATOM 0 HB2 LEU A 39 89.665 21.056 -13.549 1.00 0.00 H new ATOM 0 HB3 LEU A 39 88.371 19.998 -13.022 1.00 0.00 H new ATOM 0 HG LEU A 39 89.995 18.034 -13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 39 92.423 18.518 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 39 91.683 19.096 -14.752 1.00 0.00 H new ATOM 0 HD13 LEU A 39 92.082 20.251 -13.458 1.00 0.00 H new ATOM 0 HD21 LEU A 39 91.144 18.526 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 90.716 20.244 -11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 39 89.437 19.026 -11.085 1.00 0.00 H new ATOM 552 N ASN A 40 87.903 21.926 -15.321 1.00 0.00 N ATOM 553 CA ASN A 40 86.858 22.948 -15.660 1.00 0.00 C ATOM 554 C ASN A 40 85.483 22.546 -15.096 1.00 0.00 C ATOM 555 O ASN A 40 84.448 22.845 -15.659 1.00 0.00 O ATOM 556 CB ASN A 40 86.802 23.089 -17.205 1.00 0.00 C ATOM 557 CG ASN A 40 88.179 23.514 -17.740 1.00 0.00 C ATOM 558 OD1 ASN A 40 89.163 22.816 -17.592 1.00 0.00 O ATOM 559 ND2 ASN A 40 88.289 24.651 -18.370 1.00 0.00 N ATOM 0 H ASN A 40 88.755 22.321 -14.922 1.00 0.00 H new ATOM 0 HA ASN A 40 87.119 23.904 -15.207 1.00 0.00 H new ATOM 0 HB2 ASN A 40 86.503 22.142 -17.655 1.00 0.00 H new ATOM 0 HB3 ASN A 40 86.050 23.826 -17.485 1.00 0.00 H new ATOM 0 HD21 ASN A 40 89.195 24.947 -18.733 1.00 0.00 H new ATOM 0 HD22 ASN A 40 87.469 25.244 -18.499 1.00 0.00 H new ATOM 566 N CYS A 41 85.569 21.873 -13.977 1.00 0.00 N ATOM 567 CA CYS A 41 84.389 21.355 -13.214 1.00 0.00 C ATOM 568 C CYS A 41 83.412 20.442 -13.985 1.00 0.00 C ATOM 569 O CYS A 41 82.999 20.756 -15.085 1.00 0.00 O ATOM 570 CB CYS A 41 83.563 22.564 -12.620 1.00 0.00 C ATOM 571 SG CYS A 41 83.850 23.288 -10.977 1.00 0.00 S ATOM 0 H CYS A 41 86.462 21.649 -13.537 1.00 0.00 H new ATOM 0 HA CYS A 41 84.836 20.724 -12.445 1.00 0.00 H new ATOM 0 HB2 CYS A 41 83.665 23.381 -13.334 1.00 0.00 H new ATOM 0 HB3 CYS A 41 82.518 22.255 -12.637 1.00 0.00 H new ATOM 576 N ASP A 42 83.076 19.329 -13.369 1.00 0.00 N ATOM 577 CA ASP A 42 82.128 18.351 -13.998 1.00 0.00 C ATOM 578 C ASP A 42 80.892 18.171 -13.078 1.00 0.00 C ATOM 579 O ASP A 42 80.817 17.214 -12.329 1.00 0.00 O ATOM 580 CB ASP A 42 82.851 16.990 -14.201 1.00 0.00 C ATOM 581 CG ASP A 42 81.924 16.040 -14.981 1.00 0.00 C ATOM 582 OD1 ASP A 42 81.810 16.244 -16.179 1.00 0.00 O ATOM 583 OD2 ASP A 42 81.381 15.163 -14.332 1.00 0.00 O ATOM 0 H ASP A 42 83.422 19.055 -12.449 1.00 0.00 H new ATOM 0 HA ASP A 42 81.798 18.724 -14.967 1.00 0.00 H new ATOM 0 HB2 ASP A 42 83.784 17.137 -14.746 1.00 0.00 H new ATOM 0 HB3 ASP A 42 83.111 16.554 -13.236 1.00 0.00 H new ATOM 588 N PRO A 43 79.949 19.089 -13.151 1.00 0.00 N ATOM 589 CA PRO A 43 78.677 19.000 -12.371 1.00 0.00 C ATOM 590 C PRO A 43 77.887 17.717 -12.686 1.00 0.00 C ATOM 591 O PRO A 43 76.990 17.358 -11.948 1.00 0.00 O ATOM 592 CB PRO A 43 77.879 20.260 -12.719 1.00 0.00 C ATOM 593 CG PRO A 43 78.688 21.051 -13.759 1.00 0.00 C ATOM 594 CD PRO A 43 80.015 20.317 -14.000 1.00 0.00 C ATOM 0 HA PRO A 43 78.882 18.945 -11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 43 76.899 19.995 -13.117 1.00 0.00 H new ATOM 0 HB3 PRO A 43 77.708 20.863 -11.827 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.128 21.137 -14.690 1.00 0.00 H new ATOM 0 HG3 PRO A 43 78.874 22.065 -13.404 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.137 20.061 -15.052 1.00 0.00 H new ATOM 0 HD3 PRO A 43 80.865 20.941 -13.723 1.00 0.00 H new ATOM 602 N ARG A 44 78.248 17.071 -13.768 1.00 0.00 N ATOM 603 CA ARG A 44 77.556 15.809 -14.178 1.00 0.00 C ATOM 604 C ARG A 44 77.773 14.760 -13.080 1.00 0.00 C ATOM 605 O ARG A 44 76.858 14.052 -12.704 1.00 0.00 O ATOM 606 CB ARG A 44 78.142 15.288 -15.517 1.00 0.00 C ATOM 607 CG ARG A 44 77.847 16.226 -16.719 1.00 0.00 C ATOM 608 CD ARG A 44 78.509 17.616 -16.560 1.00 0.00 C ATOM 609 NE ARG A 44 78.420 18.333 -17.870 1.00 0.00 N ATOM 610 CZ ARG A 44 79.280 18.114 -18.836 1.00 0.00 C ATOM 611 NH1 ARG A 44 80.251 17.251 -18.683 1.00 0.00 N ATOM 612 NH2 ARG A 44 79.134 18.780 -19.948 1.00 0.00 N ATOM 0 H ARG A 44 79.000 17.367 -14.390 1.00 0.00 H new ATOM 0 HA ARG A 44 76.492 16.000 -14.316 1.00 0.00 H new ATOM 0 HB2 ARG A 44 79.221 15.170 -15.413 1.00 0.00 H new ATOM 0 HB3 ARG A 44 77.732 14.300 -15.726 1.00 0.00 H new ATOM 0 HG2 ARG A 44 78.205 15.759 -17.637 1.00 0.00 H new ATOM 0 HG3 ARG A 44 76.769 16.350 -16.824 1.00 0.00 H new ATOM 0 HD2 ARG A 44 78.007 18.188 -15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 44 79.550 17.508 -16.257 1.00 0.00 H new ATOM 0 HE ARG A 44 77.671 19.010 -18.016 1.00 0.00 H new ATOM 0 HH11 ARG A 44 80.345 16.740 -17.805 1.00 0.00 H new ATOM 0 HH12 ARG A 44 80.914 17.089 -19.441 1.00 0.00 H new ATOM 0 HH21 ARG A 44 78.369 19.447 -20.046 1.00 0.00 H new ATOM 0 HH22 ARG A 44 79.785 18.634 -20.719 1.00 0.00 H new ATOM 626 N ILE A 45 78.992 14.705 -12.603 1.00 0.00 N ATOM 627 CA ILE A 45 79.355 13.736 -11.527 1.00 0.00 C ATOM 628 C ILE A 45 78.980 14.300 -10.163 1.00 0.00 C ATOM 629 O ILE A 45 78.874 15.495 -9.960 1.00 0.00 O ATOM 630 CB ILE A 45 80.889 13.447 -11.611 1.00 0.00 C ATOM 631 CG1 ILE A 45 81.084 12.422 -12.739 1.00 0.00 C ATOM 632 CG2 ILE A 45 81.461 12.853 -10.285 1.00 0.00 C ATOM 633 CD1 ILE A 45 82.575 12.309 -13.133 1.00 0.00 C ATOM 0 H ILE A 45 79.759 15.298 -12.919 1.00 0.00 H new ATOM 0 HA ILE A 45 78.806 12.804 -11.662 1.00 0.00 H new ATOM 0 HB ILE A 45 81.418 14.382 -11.794 1.00 0.00 H new ATOM 0 HG12 ILE A 45 80.714 11.448 -12.418 1.00 0.00 H new ATOM 0 HG13 ILE A 45 80.496 12.716 -13.608 1.00 0.00 H new ATOM 0 HG21 ILE A 45 82.530 12.671 -10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 45 81.298 13.558 -9.470 1.00 0.00 H new ATOM 0 HG23 ILE A 45 80.956 11.914 -10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 45 82.685 11.577 -13.933 1.00 0.00 H new ATOM 0 HD12 ILE A 45 82.935 13.279 -13.476 1.00 0.00 H new ATOM 0 HD13 ILE A 45 83.157 11.991 -12.268 1.00 0.00 H new ATOM 645 N ALA A 46 78.799 13.356 -9.284 1.00 0.00 N ATOM 646 CA ALA A 46 78.425 13.641 -7.868 1.00 0.00 C ATOM 647 C ALA A 46 79.565 13.160 -6.972 1.00 0.00 C ATOM 648 O ALA A 46 80.088 13.904 -6.165 1.00 0.00 O ATOM 649 CB ALA A 46 77.135 12.895 -7.551 1.00 0.00 C ATOM 0 H ALA A 46 78.898 12.363 -9.495 1.00 0.00 H new ATOM 0 HA ALA A 46 78.264 14.706 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 46 76.845 13.091 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 76.345 13.234 -8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 46 77.291 11.825 -7.687 1.00 0.00 H new ATOM 655 N TYR A 47 79.909 11.911 -7.158 1.00 0.00 N ATOM 656 CA TYR A 47 81.006 11.275 -6.370 1.00 0.00 C ATOM 657 C TYR A 47 81.408 9.970 -7.033 1.00 0.00 C ATOM 658 O TYR A 47 80.720 9.467 -7.896 1.00 0.00 O ATOM 659 CB TYR A 47 80.553 10.964 -4.931 1.00 0.00 C ATOM 660 CG TYR A 47 79.323 10.037 -4.946 1.00 0.00 C ATOM 661 CD1 TYR A 47 78.044 10.555 -5.003 1.00 0.00 C ATOM 662 CD2 TYR A 47 79.487 8.664 -4.907 1.00 0.00 C ATOM 663 CE1 TYR A 47 76.950 9.717 -5.019 1.00 0.00 C ATOM 664 CE2 TYR A 47 78.392 7.826 -4.925 1.00 0.00 C ATOM 665 CZ TYR A 47 77.116 8.347 -4.980 1.00 0.00 C ATOM 666 OH TYR A 47 76.022 7.507 -4.996 1.00 0.00 O ATOM 0 H TYR A 47 79.465 11.293 -7.838 1.00 0.00 H new ATOM 0 HA TYR A 47 81.844 11.972 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 47 81.366 10.491 -4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 47 80.312 11.891 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 47 77.900 11.625 -5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 47 80.481 8.245 -4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 47 75.955 10.135 -5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 47 78.534 6.756 -4.896 1.00 0.00 H new ATOM 0 HH TYR A 47 75.695 7.413 -5.915 1.00 0.00 H new ATOM 676 N GLY A 48 82.523 9.475 -6.575 1.00 0.00 N ATOM 677 CA GLY A 48 83.070 8.198 -7.113 1.00 0.00 C ATOM 678 C GLY A 48 83.188 7.160 -6.008 1.00 0.00 C ATOM 679 O GLY A 48 83.915 7.366 -5.053 1.00 0.00 O ATOM 0 H GLY A 48 83.086 9.906 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 48 82.421 7.823 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 48 84.048 8.375 -7.560 1.00 0.00 H new ATOM 683 N VAL A 49 82.474 6.072 -6.166 1.00 0.00 N ATOM 684 CA VAL A 49 82.529 4.996 -5.130 1.00 0.00 C ATOM 685 C VAL A 49 83.817 4.199 -5.369 1.00 0.00 C ATOM 686 O VAL A 49 84.126 3.851 -6.491 1.00 0.00 O ATOM 687 CB VAL A 49 81.255 4.099 -5.266 1.00 0.00 C ATOM 688 CG1 VAL A 49 81.145 3.441 -6.664 1.00 0.00 C ATOM 689 CG2 VAL A 49 81.284 2.991 -4.184 1.00 0.00 C ATOM 0 H VAL A 49 81.861 5.884 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 49 82.541 5.400 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 49 80.387 4.744 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.244 2.829 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.094 4.217 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 49 82.019 2.814 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.396 2.366 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.175 2.377 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.301 3.449 -3.195 1.00 0.00 H new ATOM 699 N CYS A 50 84.527 3.944 -4.301 1.00 0.00 N ATOM 700 CA CYS A 50 85.808 3.180 -4.385 1.00 0.00 C ATOM 701 C CYS A 50 85.605 1.798 -3.707 1.00 0.00 C ATOM 702 O CYS A 50 85.813 1.676 -2.515 1.00 0.00 O ATOM 703 CB CYS A 50 86.888 4.025 -3.674 1.00 0.00 C ATOM 704 SG CYS A 50 86.990 5.781 -4.114 1.00 0.00 S ATOM 0 H CYS A 50 84.269 4.238 -3.359 1.00 0.00 H new ATOM 0 HA CYS A 50 86.120 2.998 -5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 50 86.718 3.955 -2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 50 87.858 3.570 -3.873 1.00 0.00 H new ATOM 709 N PRO A 51 85.202 0.796 -4.468 1.00 0.00 N ATOM 710 CA PRO A 51 84.906 -0.573 -3.935 1.00 0.00 C ATOM 711 C PRO A 51 86.033 -1.181 -3.082 1.00 0.00 C ATOM 712 O PRO A 51 85.795 -2.127 -2.355 1.00 0.00 O ATOM 713 CB PRO A 51 84.604 -1.447 -5.153 1.00 0.00 C ATOM 714 CG PRO A 51 84.569 -0.531 -6.383 1.00 0.00 C ATOM 715 CD PRO A 51 84.982 0.878 -5.946 1.00 0.00 C ATOM 0 HA PRO A 51 84.063 -0.512 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 51 85.366 -2.217 -5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 51 83.650 -1.959 -5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 51 85.245 -0.903 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 51 83.569 -0.516 -6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 51 85.889 1.197 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 51 84.207 1.605 -6.187 1.00 0.00 H new ATOM 723 N ARG A 52 87.214 -0.624 -3.197 1.00 0.00 N ATOM 724 CA ARG A 52 88.387 -1.123 -2.421 1.00 0.00 C ATOM 725 C ARG A 52 88.362 -0.564 -0.984 1.00 0.00 C ATOM 726 O ARG A 52 89.202 0.214 -0.575 1.00 0.00 O ATOM 727 CB ARG A 52 89.709 -0.707 -3.155 1.00 0.00 C ATOM 728 CG ARG A 52 89.860 0.831 -3.438 1.00 0.00 C ATOM 729 CD ARG A 52 89.180 1.288 -4.752 1.00 0.00 C ATOM 730 NE ARG A 52 89.674 0.429 -5.876 1.00 0.00 N ATOM 731 CZ ARG A 52 88.923 -0.475 -6.459 1.00 0.00 C ATOM 732 NH1 ARG A 52 87.687 -0.676 -6.086 1.00 0.00 N ATOM 733 NH2 ARG A 52 89.454 -1.170 -7.426 1.00 0.00 N ATOM 0 H ARG A 52 87.415 0.169 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 52 88.341 -2.210 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 52 90.558 -1.035 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 52 89.763 -1.242 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 52 89.433 1.389 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 52 90.920 1.082 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 52 88.097 1.208 -4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 52 89.407 2.336 -4.950 1.00 0.00 H new ATOM 0 HE ARG A 52 90.633 0.552 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 52 87.287 -0.124 -5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 52 87.122 -1.385 -6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 52 90.421 -1.001 -7.704 1.00 0.00 H new ATOM 0 HH22 ARG A 52 88.903 -1.882 -7.904 1.00 0.00 H new ATOM 747 N SER A 53 87.364 -1.008 -0.264 1.00 0.00 N ATOM 748 CA SER A 53 87.148 -0.594 1.156 1.00 0.00 C ATOM 749 C SER A 53 87.291 -1.818 2.071 1.00 0.00 C ATOM 750 O SER A 53 87.002 -2.925 1.661 1.00 0.00 O ATOM 751 CB SER A 53 85.739 0.014 1.275 1.00 0.00 C ATOM 752 OG SER A 53 84.861 -1.001 0.804 1.00 0.00 O ATOM 0 H SER A 53 86.666 -1.664 -0.615 1.00 0.00 H new ATOM 0 HA SER A 53 87.888 0.148 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 53 85.512 0.286 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 53 85.649 0.922 0.679 1.00 0.00 H new ATOM 0 HG SER A 53 83.936 -0.682 0.853 1.00 0.00 H new ATOM 758 N GLU A 54 87.735 -1.563 3.280 1.00 0.00 N ATOM 759 CA GLU A 54 87.945 -2.626 4.323 1.00 0.00 C ATOM 760 C GLU A 54 89.101 -3.562 3.910 1.00 0.00 C ATOM 761 O GLU A 54 89.322 -3.794 2.737 1.00 0.00 O ATOM 762 CB GLU A 54 86.644 -3.459 4.500 1.00 0.00 C ATOM 763 CG GLU A 54 86.702 -4.241 5.831 1.00 0.00 C ATOM 764 CD GLU A 54 85.582 -5.295 5.853 1.00 0.00 C ATOM 765 OE1 GLU A 54 84.506 -4.944 6.310 1.00 0.00 O ATOM 766 OE2 GLU A 54 85.872 -6.395 5.408 1.00 0.00 O ATOM 0 H GLU A 54 87.970 -0.624 3.600 1.00 0.00 H new ATOM 0 HA GLU A 54 88.198 -2.142 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 54 85.775 -2.801 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 54 86.528 -4.151 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 54 87.673 -4.724 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 54 86.590 -3.557 6.672 1.00 0.00 H new ATOM 773 N GLU A 55 89.803 -4.070 4.896 1.00 0.00 N ATOM 774 CA GLU A 55 90.961 -5.000 4.658 1.00 0.00 C ATOM 775 C GLU A 55 92.040 -4.347 3.768 1.00 0.00 C ATOM 776 O GLU A 55 92.006 -3.156 3.527 1.00 0.00 O ATOM 777 CB GLU A 55 90.429 -6.309 3.990 1.00 0.00 C ATOM 778 CG GLU A 55 89.422 -7.001 4.931 1.00 0.00 C ATOM 779 CD GLU A 55 88.794 -8.204 4.209 1.00 0.00 C ATOM 780 OE1 GLU A 55 89.435 -9.243 4.217 1.00 0.00 O ATOM 781 OE2 GLU A 55 87.706 -8.013 3.689 1.00 0.00 O ATOM 0 H GLU A 55 89.619 -3.876 5.880 1.00 0.00 H new ATOM 0 HA GLU A 55 91.427 -5.231 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 55 89.951 -6.075 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 55 91.259 -6.981 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 55 89.924 -7.330 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 88.646 -6.297 5.232 1.00 0.00 H new ATOM 788 N LYS A 56 92.968 -5.150 3.310 1.00 0.00 N ATOM 789 CA LYS A 56 94.072 -4.646 2.437 1.00 0.00 C ATOM 790 C LYS A 56 94.737 -5.819 1.686 1.00 0.00 C ATOM 791 O LYS A 56 94.101 -6.822 1.425 1.00 0.00 O ATOM 792 CB LYS A 56 95.116 -3.885 3.331 1.00 0.00 C ATOM 793 CG LYS A 56 95.799 -4.788 4.413 1.00 0.00 C ATOM 794 CD LYS A 56 94.878 -5.131 5.622 1.00 0.00 C ATOM 795 CE LYS A 56 94.428 -3.856 6.367 1.00 0.00 C ATOM 796 NZ LYS A 56 95.615 -3.070 6.810 1.00 0.00 N ATOM 0 H LYS A 56 93.007 -6.150 3.508 1.00 0.00 H new ATOM 0 HA LYS A 56 93.672 -3.960 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 56 95.886 -3.457 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 56 94.617 -3.053 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.127 -5.716 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.693 -4.284 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 56 94.002 -5.677 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.409 -5.788 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 56 93.803 -3.247 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 56 93.820 -4.126 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 95.318 -2.354 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 96.310 -3.708 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 96.046 -2.599 5.989 1.00 0.00 H new ATOM 810 N LYS A 57 95.998 -5.657 1.358 1.00 0.00 N ATOM 811 CA LYS A 57 96.765 -6.714 0.628 1.00 0.00 C ATOM 812 C LYS A 57 97.206 -7.887 1.529 1.00 0.00 C ATOM 813 O LYS A 57 98.150 -8.589 1.219 1.00 0.00 O ATOM 814 CB LYS A 57 97.998 -6.020 -0.042 1.00 0.00 C ATOM 815 CG LYS A 57 98.870 -5.171 0.942 1.00 0.00 C ATOM 816 CD LYS A 57 99.546 -6.042 2.026 1.00 0.00 C ATOM 817 CE LYS A 57 100.510 -5.186 2.856 1.00 0.00 C ATOM 818 NZ LYS A 57 101.168 -6.040 3.885 1.00 0.00 N ATOM 0 H LYS A 57 96.537 -4.818 1.571 1.00 0.00 H new ATOM 0 HA LYS A 57 96.114 -7.167 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 57 98.626 -6.784 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 57 97.645 -5.374 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 57 99.635 -4.637 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 57 98.244 -4.418 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 98.789 -6.485 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 57 100.087 -6.865 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 57 101.261 -4.733 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 57 99.969 -4.371 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 101.823 -5.461 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 100.445 -6.452 4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 101.697 -6.803 3.416 1.00 0.00 H new ATOM 832 N ASN A 58 96.502 -8.066 2.619 1.00 0.00 N ATOM 833 CA ASN A 58 96.813 -9.166 3.593 1.00 0.00 C ATOM 834 C ASN A 58 96.426 -10.561 3.051 1.00 0.00 C ATOM 835 O ASN A 58 96.296 -11.508 3.803 1.00 0.00 O ATOM 836 CB ASN A 58 96.052 -8.870 4.905 1.00 0.00 C ATOM 837 CG ASN A 58 94.537 -8.884 4.647 1.00 0.00 C ATOM 838 OD1 ASN A 58 93.849 -9.832 4.966 1.00 0.00 O ATOM 839 ND2 ASN A 58 93.980 -7.854 4.071 1.00 0.00 N ATOM 0 H ASN A 58 95.707 -7.484 2.883 1.00 0.00 H new ATOM 0 HA ASN A 58 97.889 -9.190 3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 58 96.308 -9.614 5.659 1.00 0.00 H new ATOM 0 HB3 ASN A 58 96.353 -7.899 5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 58 92.976 -7.851 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 58 94.549 -7.052 3.799 1.00 0.00 H new ATOM 846 N ASP A 59 96.255 -10.639 1.756 1.00 0.00 N ATOM 847 CA ASP A 59 95.879 -11.915 1.082 1.00 0.00 C ATOM 848 C ASP A 59 97.058 -12.902 1.103 1.00 0.00 C ATOM 849 O ASP A 59 97.082 -13.797 1.926 1.00 0.00 O ATOM 850 CB ASP A 59 95.450 -11.560 -0.361 1.00 0.00 C ATOM 851 CG ASP A 59 94.291 -10.543 -0.303 1.00 0.00 C ATOM 852 OD1 ASP A 59 94.599 -9.370 -0.153 1.00 0.00 O ATOM 853 OD2 ASP A 59 93.162 -10.995 -0.409 1.00 0.00 O ATOM 0 H ASP A 59 96.364 -9.848 1.122 1.00 0.00 H new ATOM 0 HA ASP A 59 95.056 -12.407 1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 59 96.292 -11.141 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 59 95.137 -12.458 -0.893 1.00 0.00 H new ATOM 858 N ARG A 60 97.994 -12.712 0.206 1.00 0.00 N ATOM 859 CA ARG A 60 99.190 -13.612 0.131 1.00 0.00 C ATOM 860 C ARG A 60 100.266 -13.027 -0.796 1.00 0.00 C ATOM 861 O ARG A 60 99.969 -12.554 -1.876 1.00 0.00 O ATOM 862 CB ARG A 60 98.748 -15.008 -0.395 1.00 0.00 C ATOM 863 CG ARG A 60 99.948 -15.992 -0.519 1.00 0.00 C ATOM 864 CD ARG A 60 100.673 -16.182 0.837 1.00 0.00 C ATOM 865 NE ARG A 60 99.682 -16.619 1.871 1.00 0.00 N ATOM 866 CZ ARG A 60 99.274 -17.861 1.963 1.00 0.00 C ATOM 867 NH1 ARG A 60 99.722 -18.774 1.143 1.00 0.00 N ATOM 868 NH2 ARG A 60 98.410 -18.151 2.895 1.00 0.00 N ATOM 0 H ARG A 60 97.981 -11.963 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 60 99.617 -13.706 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 60 98.002 -15.429 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 60 98.271 -14.894 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 60 99.592 -16.957 -0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 60 100.653 -15.615 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 60 101.464 -16.925 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 60 101.147 -15.249 1.143 1.00 0.00 H new ATOM 0 HE ARG A 60 99.313 -15.928 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 60 100.397 -18.524 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 60 99.397 -19.737 1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 60 98.073 -17.421 3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 60 98.070 -19.108 2.996 1.00 0.00 H new ATOM 882 N ILE A 61 101.486 -13.088 -0.325 1.00 0.00 N ATOM 883 CA ILE A 61 102.663 -12.573 -1.083 1.00 0.00 C ATOM 884 C ILE A 61 103.148 -13.660 -2.066 1.00 0.00 C ATOM 885 O ILE A 61 104.216 -14.227 -1.921 1.00 0.00 O ATOM 886 CB ILE A 61 103.753 -12.172 -0.014 1.00 0.00 C ATOM 887 CG1 ILE A 61 105.054 -11.623 -0.665 1.00 0.00 C ATOM 888 CG2 ILE A 61 104.108 -13.355 0.934 1.00 0.00 C ATOM 889 CD1 ILE A 61 104.729 -10.386 -1.510 1.00 0.00 C ATOM 0 H ILE A 61 101.720 -13.487 0.584 1.00 0.00 H new ATOM 0 HA ILE A 61 102.426 -11.697 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 61 103.301 -11.374 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 61 105.778 -11.367 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 105.512 -12.391 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 61 104.862 -13.032 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 61 103.213 -13.676 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 61 104.499 -14.187 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 61 105.644 -10.005 -1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 61 104.020 -10.656 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 61 104.291 -9.616 -0.875 1.00 0.00 H new ATOM 901 N CYS A 62 102.330 -13.925 -3.058 1.00 0.00 N ATOM 902 CA CYS A 62 102.695 -14.960 -4.072 1.00 0.00 C ATOM 903 C CYS A 62 103.591 -14.477 -5.220 1.00 0.00 C ATOM 904 O CYS A 62 103.434 -14.832 -6.374 1.00 0.00 O ATOM 905 CB CYS A 62 101.384 -15.568 -4.619 1.00 0.00 C ATOM 906 SG CYS A 62 100.859 -17.023 -3.687 1.00 0.00 S ATOM 0 H CYS A 62 101.429 -13.470 -3.207 1.00 0.00 H new ATOM 0 HA CYS A 62 103.309 -15.701 -3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 62 100.596 -14.815 -4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 62 101.522 -15.840 -5.665 1.00 0.00 H new ATOM 911 N THR A 63 104.529 -13.662 -4.830 1.00 0.00 N ATOM 912 CA THR A 63 105.512 -13.074 -5.764 1.00 0.00 C ATOM 913 C THR A 63 106.736 -14.003 -5.808 1.00 0.00 C ATOM 914 O THR A 63 107.452 -14.070 -4.828 1.00 0.00 O ATOM 915 CB THR A 63 105.866 -11.691 -5.227 1.00 0.00 C ATOM 916 OG1 THR A 63 104.619 -11.027 -5.065 1.00 0.00 O ATOM 917 CG2 THR A 63 106.560 -10.889 -6.297 1.00 0.00 C ATOM 0 H THR A 63 104.654 -13.371 -3.860 1.00 0.00 H new ATOM 0 HA THR A 63 105.126 -12.973 -6.778 1.00 0.00 H new ATOM 0 HB THR A 63 106.479 -11.779 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 63 104.772 -10.124 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 63 106.810 -9.902 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 63 107.473 -11.401 -6.601 1.00 0.00 H new ATOM 0 HG23 THR A 63 105.900 -10.782 -7.158 1.00 0.00 H new ATOM 925 N ASN A 64 106.945 -14.689 -6.907 1.00 0.00 N ATOM 926 CA ASN A 64 108.127 -15.611 -7.011 1.00 0.00 C ATOM 927 C ASN A 64 109.171 -15.006 -7.956 1.00 0.00 C ATOM 928 O ASN A 64 109.090 -13.834 -8.278 1.00 0.00 O ATOM 929 CB ASN A 64 107.654 -16.991 -7.531 1.00 0.00 C ATOM 930 CG ASN A 64 107.254 -16.982 -9.013 1.00 0.00 C ATOM 931 OD1 ASN A 64 106.829 -15.989 -9.568 1.00 0.00 O ATOM 932 ND2 ASN A 64 107.387 -18.097 -9.678 1.00 0.00 N ATOM 0 H ASN A 64 106.351 -14.652 -7.736 1.00 0.00 H new ATOM 0 HA ASN A 64 108.583 -15.741 -6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 64 108.451 -17.719 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 64 106.804 -17.323 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 64 107.134 -18.135 -10.665 1.00 0.00 H new ATOM 0 HD22 ASN A 64 107.744 -18.930 -9.210 1.00 0.00 H new ATOM 939 N CYS A 65 110.116 -15.815 -8.371 1.00 0.00 N ATOM 940 CA CYS A 65 111.180 -15.312 -9.294 1.00 0.00 C ATOM 941 C CYS A 65 111.202 -16.107 -10.609 1.00 0.00 C ATOM 942 O CYS A 65 111.483 -15.561 -11.657 1.00 0.00 O ATOM 943 CB CYS A 65 112.539 -15.442 -8.597 1.00 0.00 C ATOM 944 SG CYS A 65 113.717 -14.159 -9.076 1.00 0.00 S ATOM 0 H CYS A 65 110.196 -16.798 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 65 110.970 -14.270 -9.534 1.00 0.00 H new ATOM 0 HB2 CYS A 65 112.391 -15.404 -7.518 1.00 0.00 H new ATOM 0 HB3 CYS A 65 112.964 -16.419 -8.826 1.00 0.00 H new ATOM 949 N CYS A 66 110.897 -17.377 -10.513 1.00 0.00 N ATOM 950 CA CYS A 66 110.883 -18.270 -11.711 1.00 0.00 C ATOM 951 C CYS A 66 109.928 -17.719 -12.765 1.00 0.00 C ATOM 952 O CYS A 66 110.308 -17.432 -13.885 1.00 0.00 O ATOM 953 CB CYS A 66 110.441 -19.658 -11.262 1.00 0.00 C ATOM 954 SG CYS A 66 110.148 -20.912 -12.531 1.00 0.00 S ATOM 0 H CYS A 66 110.653 -17.840 -9.638 1.00 0.00 H new ATOM 0 HA CYS A 66 111.877 -18.323 -12.155 1.00 0.00 H new ATOM 0 HB2 CYS A 66 111.199 -20.045 -10.580 1.00 0.00 H new ATOM 0 HB3 CYS A 66 109.522 -19.545 -10.687 1.00 0.00 H new ATOM 959 N ALA A 67 108.704 -17.594 -12.331 1.00 0.00 N ATOM 960 CA ALA A 67 107.628 -17.066 -13.226 1.00 0.00 C ATOM 961 C ALA A 67 107.720 -15.532 -13.300 1.00 0.00 C ATOM 962 O ALA A 67 107.064 -14.917 -14.120 1.00 0.00 O ATOM 963 CB ALA A 67 106.252 -17.475 -12.674 1.00 0.00 C ATOM 0 H ALA A 67 108.398 -17.836 -11.388 1.00 0.00 H new ATOM 0 HA ALA A 67 107.755 -17.482 -14.226 1.00 0.00 H new ATOM 0 HB1 ALA A 67 105.469 -17.090 -13.327 1.00 0.00 H new ATOM 0 HB2 ALA A 67 106.186 -18.562 -12.630 1.00 0.00 H new ATOM 0 HB3 ALA A 67 106.125 -17.063 -11.673 1.00 0.00 H new ATOM 969 N GLY A 68 108.533 -14.964 -12.440 1.00 0.00 N ATOM 970 CA GLY A 68 108.706 -13.480 -12.415 1.00 0.00 C ATOM 971 C GLY A 68 109.400 -12.973 -13.680 1.00 0.00 C ATOM 972 O GLY A 68 110.109 -13.701 -14.345 1.00 0.00 O ATOM 0 H GLY A 68 109.087 -15.471 -11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 68 107.732 -13.001 -12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 68 109.290 -13.196 -11.540 1.00 0.00 H new ATOM 976 N THR A 69 109.161 -11.720 -13.954 1.00 0.00 N ATOM 977 CA THR A 69 109.752 -11.051 -15.157 1.00 0.00 C ATOM 978 C THR A 69 111.270 -10.892 -15.011 1.00 0.00 C ATOM 979 O THR A 69 111.741 -10.314 -14.049 1.00 0.00 O ATOM 980 CB THR A 69 109.089 -9.663 -15.335 1.00 0.00 C ATOM 981 OG1 THR A 69 109.302 -8.978 -14.107 1.00 0.00 O ATOM 982 CG2 THR A 69 107.557 -9.781 -15.453 1.00 0.00 C ATOM 0 H THR A 69 108.569 -11.116 -13.385 1.00 0.00 H new ATOM 0 HA THR A 69 109.565 -11.671 -16.034 1.00 0.00 H new ATOM 0 HB THR A 69 109.498 -9.180 -16.222 1.00 0.00 H new ATOM 0 HG1 THR A 69 109.439 -8.024 -14.284 1.00 0.00 H new ATOM 0 HG21 THR A 69 107.124 -8.788 -15.577 1.00 0.00 H new ATOM 0 HG22 THR A 69 107.305 -10.397 -16.316 1.00 0.00 H new ATOM 0 HG23 THR A 69 107.157 -10.241 -14.550 1.00 0.00 H new ATOM 990 N LYS A 70 111.984 -11.416 -15.979 1.00 0.00 N ATOM 991 CA LYS A 70 113.485 -11.350 -15.986 1.00 0.00 C ATOM 992 C LYS A 70 114.097 -9.954 -16.200 1.00 0.00 C ATOM 993 O LYS A 70 115.243 -9.806 -16.581 1.00 0.00 O ATOM 994 CB LYS A 70 113.973 -12.346 -17.088 1.00 0.00 C ATOM 995 CG LYS A 70 113.977 -11.713 -18.520 1.00 0.00 C ATOM 996 CD LYS A 70 112.650 -10.983 -18.867 1.00 0.00 C ATOM 997 CE LYS A 70 112.813 -10.243 -20.204 1.00 0.00 C ATOM 998 NZ LYS A 70 113.875 -9.203 -20.086 1.00 0.00 N ATOM 0 H LYS A 70 111.582 -11.898 -16.783 1.00 0.00 H new ATOM 0 HA LYS A 70 113.829 -11.619 -14.987 1.00 0.00 H new ATOM 0 HB2 LYS A 70 114.979 -12.686 -16.844 1.00 0.00 H new ATOM 0 HB3 LYS A 70 113.330 -13.226 -17.087 1.00 0.00 H new ATOM 0 HG2 LYS A 70 114.804 -11.007 -18.596 1.00 0.00 H new ATOM 0 HG3 LYS A 70 114.157 -12.496 -19.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 111.833 -11.701 -18.933 1.00 0.00 H new ATOM 0 HD3 LYS A 70 112.392 -10.278 -18.077 1.00 0.00 H new ATOM 0 HE2 LYS A 70 113.072 -10.951 -20.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 111.869 -9.779 -20.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 113.532 -8.309 -20.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 114.111 -9.060 -19.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 114.724 -9.513 -20.601 1.00 0.00 H new ATOM 1012 N GLY A 71 113.282 -8.981 -15.926 1.00 0.00 N ATOM 1013 CA GLY A 71 113.658 -7.545 -16.059 1.00 0.00 C ATOM 1014 C GLY A 71 113.540 -6.863 -14.696 1.00 0.00 C ATOM 1015 O GLY A 71 114.211 -5.881 -14.447 1.00 0.00 O ATOM 0 H GLY A 71 112.327 -9.127 -15.600 1.00 0.00 H new ATOM 0 HA2 GLY A 71 114.677 -7.458 -16.435 1.00 0.00 H new ATOM 0 HA3 GLY A 71 113.008 -7.053 -16.782 1.00 0.00 H new ATOM 1019 N CYS A 72 112.693 -7.404 -13.850 1.00 0.00 N ATOM 1020 CA CYS A 72 112.503 -6.814 -12.493 1.00 0.00 C ATOM 1021 C CYS A 72 113.423 -7.505 -11.497 1.00 0.00 C ATOM 1022 O CYS A 72 113.530 -8.718 -11.474 1.00 0.00 O ATOM 1023 CB CYS A 72 111.041 -6.978 -12.075 1.00 0.00 C ATOM 1024 SG CYS A 72 109.831 -5.994 -12.994 1.00 0.00 S ATOM 0 H CYS A 72 112.127 -8.230 -14.045 1.00 0.00 H new ATOM 0 HA CYS A 72 112.751 -5.753 -12.513 1.00 0.00 H new ATOM 0 HB2 CYS A 72 110.773 -8.030 -12.173 1.00 0.00 H new ATOM 0 HB3 CYS A 72 110.957 -6.725 -11.018 1.00 0.00 H new ATOM 1029 N LYS A 73 114.052 -6.675 -10.705 1.00 0.00 N ATOM 1030 CA LYS A 73 115.002 -7.155 -9.669 1.00 0.00 C ATOM 1031 C LYS A 73 114.245 -7.437 -8.373 1.00 0.00 C ATOM 1032 O LYS A 73 114.183 -6.599 -7.493 1.00 0.00 O ATOM 1033 CB LYS A 73 116.076 -6.060 -9.472 1.00 0.00 C ATOM 1034 CG LYS A 73 116.841 -5.838 -10.801 1.00 0.00 C ATOM 1035 CD LYS A 73 117.861 -4.684 -10.659 1.00 0.00 C ATOM 1036 CE LYS A 73 118.956 -5.037 -9.631 1.00 0.00 C ATOM 1037 NZ LYS A 73 119.947 -3.927 -9.555 1.00 0.00 N ATOM 0 H LYS A 73 113.941 -5.662 -10.738 1.00 0.00 H new ATOM 0 HA LYS A 73 115.485 -8.083 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 73 115.607 -5.130 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 73 116.771 -6.355 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 73 117.358 -6.754 -11.086 1.00 0.00 H new ATOM 0 HG3 LYS A 73 116.135 -5.609 -11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.319 -4.477 -11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 73 117.346 -3.775 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 73 118.508 -5.206 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 73 119.454 -5.963 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 120.684 -4.167 -8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 120.383 -3.786 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 119.467 -3.052 -9.261 1.00 0.00 H new ATOM 1051 N TYR A 74 113.687 -8.623 -8.307 1.00 0.00 N ATOM 1052 CA TYR A 74 112.913 -9.048 -7.099 1.00 0.00 C ATOM 1053 C TYR A 74 113.763 -8.775 -5.861 1.00 0.00 C ATOM 1054 O TYR A 74 114.897 -9.198 -5.753 1.00 0.00 O ATOM 1055 CB TYR A 74 112.571 -10.535 -7.257 1.00 0.00 C ATOM 1056 CG TYR A 74 111.510 -10.602 -8.367 1.00 0.00 C ATOM 1057 CD1 TYR A 74 110.178 -10.397 -8.059 1.00 0.00 C ATOM 1058 CD2 TYR A 74 111.862 -10.845 -9.679 1.00 0.00 C ATOM 1059 CE1 TYR A 74 109.218 -10.433 -9.044 1.00 0.00 C ATOM 1060 CE2 TYR A 74 110.898 -10.880 -10.666 1.00 0.00 C ATOM 1061 CZ TYR A 74 109.571 -10.673 -10.353 1.00 0.00 C ATOM 1062 OH TYR A 74 108.604 -10.697 -11.336 1.00 0.00 O ATOM 0 H TYR A 74 113.736 -9.322 -9.048 1.00 0.00 H new ATOM 0 HA TYR A 74 111.981 -8.493 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 74 113.455 -11.114 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 74 112.189 -10.950 -6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 74 109.888 -10.207 -7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 74 112.898 -11.009 -9.935 1.00 0.00 H new ATOM 0 HE1 TYR A 74 108.181 -10.272 -8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 74 111.185 -11.071 -11.690 1.00 0.00 H new ATOM 0 HH TYR A 74 108.600 -9.840 -11.812 1.00 0.00 H new ATOM 1072 N PHE A 75 113.148 -8.051 -4.972 1.00 0.00 N ATOM 1073 CA PHE A 75 113.789 -7.649 -3.693 1.00 0.00 C ATOM 1074 C PHE A 75 112.884 -7.890 -2.478 1.00 0.00 C ATOM 1075 O PHE A 75 111.689 -8.063 -2.614 1.00 0.00 O ATOM 1076 CB PHE A 75 114.173 -6.168 -3.958 1.00 0.00 C ATOM 1077 CG PHE A 75 114.174 -5.266 -2.727 1.00 0.00 C ATOM 1078 CD1 PHE A 75 112.968 -4.886 -2.178 1.00 0.00 C ATOM 1079 CD2 PHE A 75 115.348 -4.814 -2.164 1.00 0.00 C ATOM 1080 CE1 PHE A 75 112.932 -4.065 -1.083 1.00 0.00 C ATOM 1081 CE2 PHE A 75 115.318 -3.989 -1.065 1.00 0.00 C ATOM 1082 CZ PHE A 75 114.105 -3.613 -0.522 1.00 0.00 C ATOM 0 H PHE A 75 112.193 -7.710 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 75 114.662 -8.243 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 75 115.165 -6.142 -4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 75 113.479 -5.755 -4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 75 112.045 -5.238 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 75 116.296 -5.109 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 75 111.983 -3.772 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 75 116.240 -3.636 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 75 114.077 -2.965 0.342 1.00 0.00 H new ATOM 1092 N SER A 76 113.513 -7.889 -1.328 1.00 0.00 N ATOM 1093 CA SER A 76 112.803 -8.110 -0.029 1.00 0.00 C ATOM 1094 C SER A 76 112.724 -6.829 0.821 1.00 0.00 C ATOM 1095 O SER A 76 113.673 -6.072 0.930 1.00 0.00 O ATOM 1096 CB SER A 76 113.543 -9.208 0.753 1.00 0.00 C ATOM 1097 OG SER A 76 112.837 -9.315 1.983 1.00 0.00 O ATOM 0 H SER A 76 114.518 -7.740 -1.234 1.00 0.00 H new ATOM 0 HA SER A 76 111.778 -8.411 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 76 113.537 -10.153 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 76 114.587 -8.941 0.918 1.00 0.00 H new ATOM 0 HG SER A 76 112.208 -10.065 1.935 1.00 0.00 H new ATOM 1103 N ASP A 77 111.553 -6.685 1.391 1.00 0.00 N ATOM 1104 CA ASP A 77 111.157 -5.543 2.279 1.00 0.00 C ATOM 1105 C ASP A 77 112.182 -5.202 3.366 1.00 0.00 C ATOM 1106 O ASP A 77 112.256 -4.075 3.814 1.00 0.00 O ATOM 1107 CB ASP A 77 109.820 -5.890 2.953 1.00 0.00 C ATOM 1108 CG ASP A 77 110.006 -7.164 3.807 1.00 0.00 C ATOM 1109 OD1 ASP A 77 109.988 -8.233 3.214 1.00 0.00 O ATOM 1110 OD2 ASP A 77 110.161 -6.996 5.006 1.00 0.00 O ATOM 0 H ASP A 77 110.802 -7.364 1.266 1.00 0.00 H new ATOM 0 HA ASP A 77 111.085 -4.663 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 77 109.487 -5.062 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 77 109.049 -6.050 2.200 1.00 0.00 H new ATOM 1115 N ASP A 78 112.935 -6.201 3.752 1.00 0.00 N ATOM 1116 CA ASP A 78 113.985 -6.035 4.806 1.00 0.00 C ATOM 1117 C ASP A 78 115.039 -4.980 4.426 1.00 0.00 C ATOM 1118 O ASP A 78 115.881 -4.628 5.230 1.00 0.00 O ATOM 1119 CB ASP A 78 114.651 -7.418 5.037 1.00 0.00 C ATOM 1120 CG ASP A 78 115.082 -8.104 3.716 1.00 0.00 C ATOM 1121 OD1 ASP A 78 115.354 -7.404 2.756 1.00 0.00 O ATOM 1122 OD2 ASP A 78 115.114 -9.323 3.744 1.00 0.00 O ATOM 0 H ASP A 78 112.865 -7.145 3.373 1.00 0.00 H new ATOM 0 HA ASP A 78 113.515 -5.674 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 78 115.524 -7.294 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 78 113.955 -8.067 5.568 1.00 0.00 H new ATOM 1127 N GLY A 79 114.948 -4.518 3.205 1.00 0.00 N ATOM 1128 CA GLY A 79 115.893 -3.489 2.682 1.00 0.00 C ATOM 1129 C GLY A 79 117.060 -4.176 1.980 1.00 0.00 C ATOM 1130 O GLY A 79 118.150 -3.639 1.940 1.00 0.00 O ATOM 0 H GLY A 79 114.241 -4.819 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 79 115.377 -2.826 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 79 116.261 -2.870 3.500 1.00 0.00 H new ATOM 1134 N THR A 80 116.796 -5.345 1.446 1.00 0.00 N ATOM 1135 CA THR A 80 117.860 -6.110 0.736 1.00 0.00 C ATOM 1136 C THR A 80 117.279 -6.838 -0.478 1.00 0.00 C ATOM 1137 O THR A 80 116.201 -7.394 -0.415 1.00 0.00 O ATOM 1138 CB THR A 80 118.458 -7.115 1.724 1.00 0.00 C ATOM 1139 OG1 THR A 80 118.987 -6.328 2.784 1.00 0.00 O ATOM 1140 CG2 THR A 80 119.682 -7.851 1.144 1.00 0.00 C ATOM 0 H THR A 80 115.884 -5.801 1.474 1.00 0.00 H new ATOM 0 HA THR A 80 118.632 -5.430 0.375 1.00 0.00 H new ATOM 0 HB THR A 80 117.691 -7.840 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 80 119.388 -6.915 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 80 120.069 -8.552 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 80 119.388 -8.396 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 80 120.456 -7.126 0.891 1.00 0.00 H new ATOM 1148 N PHE A 81 118.039 -6.798 -1.542 1.00 0.00 N ATOM 1149 CA PHE A 81 117.652 -7.452 -2.831 1.00 0.00 C ATOM 1150 C PHE A 81 117.562 -8.978 -2.665 1.00 0.00 C ATOM 1151 O PHE A 81 118.046 -9.524 -1.691 1.00 0.00 O ATOM 1152 CB PHE A 81 118.716 -7.025 -3.860 1.00 0.00 C ATOM 1153 CG PHE A 81 118.698 -7.905 -5.123 1.00 0.00 C ATOM 1154 CD1 PHE A 81 117.786 -7.699 -6.128 1.00 0.00 C ATOM 1155 CD2 PHE A 81 119.607 -8.924 -5.269 1.00 0.00 C ATOM 1156 CE1 PHE A 81 117.781 -8.495 -7.254 1.00 0.00 C ATOM 1157 CE2 PHE A 81 119.614 -9.727 -6.390 1.00 0.00 C ATOM 1158 CZ PHE A 81 118.696 -9.539 -7.427 1.00 0.00 C ATOM 0 H PHE A 81 118.941 -6.324 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 81 116.662 -7.143 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 81 118.548 -5.986 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 81 119.703 -7.075 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 81 117.062 -6.903 -6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 81 120.332 -9.100 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 81 117.049 -8.307 -8.025 1.00 0.00 H new ATOM 0 HE2 PHE A 81 120.345 -10.518 -6.468 1.00 0.00 H new ATOM 0 HZ PHE A 81 118.693 -10.162 -8.309 1.00 0.00 H new ATOM 1168 N VAL A 82 116.941 -9.610 -3.631 1.00 0.00 N ATOM 1169 CA VAL A 82 116.776 -11.094 -3.598 1.00 0.00 C ATOM 1170 C VAL A 82 117.230 -11.779 -4.901 1.00 0.00 C ATOM 1171 O VAL A 82 118.249 -12.441 -4.925 1.00 0.00 O ATOM 1172 CB VAL A 82 115.269 -11.389 -3.307 1.00 0.00 C ATOM 1173 CG1 VAL A 82 114.999 -12.901 -3.304 1.00 0.00 C ATOM 1174 CG2 VAL A 82 114.888 -10.834 -1.921 1.00 0.00 C ATOM 0 H VAL A 82 116.537 -9.154 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 82 117.416 -11.506 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 82 114.677 -10.913 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 82 113.944 -13.082 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 82 115.257 -13.319 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 82 115.605 -13.377 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 82 113.837 -11.042 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 82 115.503 -11.310 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 82 115.055 -9.757 -1.902 1.00 0.00 H new ATOM 1184 N CYS A 83 116.458 -11.596 -5.942 1.00 0.00 N ATOM 1185 CA CYS A 83 116.769 -12.210 -7.275 1.00 0.00 C ATOM 1186 C CYS A 83 116.166 -11.334 -8.395 1.00 0.00 C ATOM 1187 O CYS A 83 115.660 -10.260 -8.148 1.00 0.00 O ATOM 1188 CB CYS A 83 116.124 -13.587 -7.303 1.00 0.00 C ATOM 1189 SG CYS A 83 114.323 -13.412 -7.301 1.00 0.00 S ATOM 0 H CYS A 83 115.606 -11.035 -5.926 1.00 0.00 H new ATOM 0 HA CYS A 83 117.846 -12.285 -7.428 1.00 0.00 H new ATOM 0 HB2 CYS A 83 116.446 -14.133 -8.190 1.00 0.00 H new ATOM 0 HB3 CYS A 83 116.444 -14.168 -6.438 1.00 0.00 H new ATOM 1194 N GLU A 84 116.248 -11.839 -9.598 1.00 0.00 N ATOM 1195 CA GLU A 84 115.704 -11.138 -10.805 1.00 0.00 C ATOM 1196 C GLU A 84 114.836 -12.222 -11.459 1.00 0.00 C ATOM 1197 O GLU A 84 115.156 -13.387 -11.331 1.00 0.00 O ATOM 1198 CB GLU A 84 116.842 -10.714 -11.755 1.00 0.00 C ATOM 1199 CG GLU A 84 116.221 -9.905 -12.923 1.00 0.00 C ATOM 1200 CD GLU A 84 117.319 -9.457 -13.898 1.00 0.00 C ATOM 1201 OE1 GLU A 84 117.839 -8.376 -13.670 1.00 0.00 O ATOM 1202 OE2 GLU A 84 117.574 -10.221 -14.816 1.00 0.00 O ATOM 0 H GLU A 84 116.684 -12.738 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 84 115.160 -10.225 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 84 117.577 -10.110 -11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 84 117.366 -11.591 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 84 115.485 -10.515 -13.447 1.00 0.00 H new ATOM 0 HG3 GLU A 84 115.693 -9.035 -12.533 1.00 0.00 H new ATOM 1209 N GLY A 85 113.779 -11.854 -12.141 1.00 0.00 N ATOM 1210 CA GLY A 85 112.926 -12.915 -12.774 1.00 0.00 C ATOM 1211 C GLY A 85 113.658 -13.824 -13.778 1.00 0.00 C ATOM 1212 O GLY A 85 114.784 -13.571 -14.159 1.00 0.00 O ATOM 0 H GLY A 85 113.473 -10.892 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 85 112.502 -13.537 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 85 112.092 -12.433 -13.284 1.00 0.00 H new ATOM 1216 N GLU A 86 112.965 -14.867 -14.163 1.00 0.00 N ATOM 1217 CA GLU A 86 113.497 -15.877 -15.139 1.00 0.00 C ATOM 1218 C GLU A 86 112.529 -16.067 -16.317 1.00 0.00 C ATOM 1219 O GLU A 86 112.898 -16.642 -17.323 1.00 0.00 O ATOM 1220 CB GLU A 86 113.691 -17.245 -14.436 1.00 0.00 C ATOM 1221 CG GLU A 86 115.020 -17.329 -13.645 1.00 0.00 C ATOM 1222 CD GLU A 86 115.132 -16.254 -12.550 1.00 0.00 C ATOM 1223 OE1 GLU A 86 114.220 -16.172 -11.742 1.00 0.00 O ATOM 1224 OE2 GLU A 86 116.142 -15.570 -12.587 1.00 0.00 O ATOM 0 H GLU A 86 112.022 -15.069 -13.832 1.00 0.00 H new ATOM 0 HA GLU A 86 114.451 -15.506 -15.513 1.00 0.00 H new ATOM 0 HB2 GLU A 86 112.857 -17.421 -13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 86 113.667 -18.039 -15.183 1.00 0.00 H new ATOM 0 HG2 GLU A 86 115.104 -18.315 -13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 86 115.856 -17.225 -14.337 1.00 0.00 H new ATOM 1231 N SER A 87 111.323 -15.577 -16.163 1.00 0.00 N ATOM 1232 CA SER A 87 110.304 -15.711 -17.247 1.00 0.00 C ATOM 1233 C SER A 87 110.531 -14.621 -18.294 1.00 0.00 C ATOM 1234 O SER A 87 110.502 -13.446 -17.980 1.00 0.00 O ATOM 1235 CB SER A 87 108.900 -15.579 -16.631 1.00 0.00 C ATOM 1236 OG SER A 87 108.014 -15.793 -17.720 1.00 0.00 O ATOM 0 H SER A 87 111.000 -15.088 -15.328 1.00 0.00 H new ATOM 0 HA SER A 87 110.393 -16.684 -17.730 1.00 0.00 H new ATOM 0 HB2 SER A 87 108.742 -16.313 -15.841 1.00 0.00 H new ATOM 0 HB3 SER A 87 108.752 -14.595 -16.186 1.00 0.00 H new ATOM 0 HG SER A 87 107.088 -15.726 -17.406 1.00 0.00 H new ATOM 1242 N ASP A 88 110.751 -15.065 -19.506 1.00 0.00 N ATOM 1243 CA ASP A 88 110.992 -14.131 -20.645 1.00 0.00 C ATOM 1244 C ASP A 88 109.657 -13.965 -21.411 1.00 0.00 C ATOM 1245 O ASP A 88 108.922 -14.928 -21.522 1.00 0.00 O ATOM 1246 CB ASP A 88 112.087 -14.749 -21.540 1.00 0.00 C ATOM 1247 CG ASP A 88 112.563 -13.727 -22.584 1.00 0.00 C ATOM 1248 OD1 ASP A 88 111.880 -13.613 -23.588 1.00 0.00 O ATOM 1249 OD2 ASP A 88 113.584 -13.114 -22.320 1.00 0.00 O ATOM 0 H ASP A 88 110.774 -16.053 -19.757 1.00 0.00 H new ATOM 0 HA ASP A 88 111.328 -13.149 -20.312 1.00 0.00 H new ATOM 0 HB2 ASP A 88 112.928 -15.071 -20.927 1.00 0.00 H new ATOM 0 HB3 ASP A 88 111.699 -15.636 -22.040 1.00 0.00 H new ATOM 1254 N PRO A 89 109.365 -12.780 -21.914 1.00 0.00 N ATOM 1255 CA PRO A 89 108.158 -12.519 -22.765 1.00 0.00 C ATOM 1256 C PRO A 89 107.892 -13.603 -23.824 1.00 0.00 C ATOM 1257 O PRO A 89 106.760 -13.813 -24.214 1.00 0.00 O ATOM 1258 CB PRO A 89 108.394 -11.149 -23.404 1.00 0.00 C ATOM 1259 CG PRO A 89 109.586 -10.505 -22.678 1.00 0.00 C ATOM 1260 CD PRO A 89 110.171 -11.539 -21.706 1.00 0.00 C ATOM 0 HA PRO A 89 107.259 -12.538 -22.149 1.00 0.00 H new ATOM 0 HB2 PRO A 89 108.603 -11.253 -24.469 1.00 0.00 H new ATOM 0 HB3 PRO A 89 107.505 -10.524 -23.313 1.00 0.00 H new ATOM 0 HG2 PRO A 89 110.342 -10.188 -23.396 1.00 0.00 H new ATOM 0 HG3 PRO A 89 109.266 -9.614 -22.138 1.00 0.00 H new ATOM 0 HD2 PRO A 89 111.227 -11.717 -21.911 1.00 0.00 H new ATOM 0 HD3 PRO A 89 110.100 -11.193 -20.675 1.00 0.00 H new ATOM 1268 N ARG A 90 108.946 -14.254 -24.253 1.00 0.00 N ATOM 1269 CA ARG A 90 108.826 -15.336 -25.281 1.00 0.00 C ATOM 1270 C ARG A 90 107.918 -16.448 -24.742 1.00 0.00 C ATOM 1271 O ARG A 90 106.997 -16.867 -25.414 1.00 0.00 O ATOM 1272 CB ARG A 90 110.229 -15.889 -25.580 1.00 0.00 C ATOM 1273 CG ARG A 90 111.060 -14.821 -26.322 1.00 0.00 C ATOM 1274 CD ARG A 90 112.527 -15.274 -26.363 1.00 0.00 C ATOM 1275 NE ARG A 90 113.333 -14.184 -26.995 1.00 0.00 N ATOM 1276 CZ ARG A 90 114.640 -14.160 -26.907 1.00 0.00 C ATOM 1277 NH1 ARG A 90 115.283 -15.097 -26.259 1.00 0.00 N ATOM 1278 NH2 ARG A 90 115.276 -13.178 -27.482 1.00 0.00 N ATOM 0 H ARG A 90 109.898 -14.079 -23.930 1.00 0.00 H new ATOM 0 HA ARG A 90 108.390 -14.942 -26.199 1.00 0.00 H new ATOM 0 HB2 ARG A 90 110.726 -16.170 -24.651 1.00 0.00 H new ATOM 0 HB3 ARG A 90 110.153 -16.791 -26.187 1.00 0.00 H new ATOM 0 HG2 ARG A 90 110.679 -14.683 -27.334 1.00 0.00 H new ATOM 0 HG3 ARG A 90 110.976 -13.859 -25.816 1.00 0.00 H new ATOM 0 HD2 ARG A 90 112.890 -15.481 -25.356 1.00 0.00 H new ATOM 0 HD3 ARG A 90 112.624 -16.198 -26.933 1.00 0.00 H new ATOM 0 HE ARG A 90 112.854 -13.442 -27.506 1.00 0.00 H new ATOM 0 HH11 ARG A 90 114.767 -15.857 -25.816 1.00 0.00 H new ATOM 0 HH12 ARG A 90 116.301 -15.068 -26.197 1.00 0.00 H new ATOM 0 HH21 ARG A 90 114.756 -12.457 -27.982 1.00 0.00 H new ATOM 0 HH22 ARG A 90 116.294 -13.131 -27.432 1.00 0.00 H new ATOM 1292 N ASN A 91 108.227 -16.882 -23.546 1.00 0.00 N ATOM 1293 CA ASN A 91 107.444 -17.962 -22.867 1.00 0.00 C ATOM 1294 C ASN A 91 106.295 -17.383 -22.001 1.00 0.00 C ATOM 1295 O ASN A 91 106.559 -16.671 -21.052 1.00 0.00 O ATOM 1296 CB ASN A 91 108.419 -18.795 -21.991 1.00 0.00 C ATOM 1297 CG ASN A 91 109.255 -17.895 -21.063 1.00 0.00 C ATOM 1298 OD1 ASN A 91 110.335 -17.467 -21.413 1.00 0.00 O ATOM 1299 ND2 ASN A 91 108.803 -17.582 -19.880 1.00 0.00 N ATOM 0 H ASN A 91 109.009 -16.524 -22.998 1.00 0.00 H new ATOM 0 HA ASN A 91 106.980 -18.594 -23.624 1.00 0.00 H new ATOM 0 HB2 ASN A 91 107.853 -19.509 -21.393 1.00 0.00 H new ATOM 0 HB3 ASN A 91 109.083 -19.373 -22.633 1.00 0.00 H new ATOM 0 HD21 ASN A 91 109.356 -16.986 -19.264 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.897 -17.934 -19.571 1.00 0.00 H new ATOM 1306 N PRO A 92 105.055 -17.680 -22.337 1.00 0.00 N ATOM 1307 CA PRO A 92 103.903 -17.541 -21.401 1.00 0.00 C ATOM 1308 C PRO A 92 103.818 -18.824 -20.556 1.00 0.00 C ATOM 1309 O PRO A 92 103.351 -19.839 -21.040 1.00 0.00 O ATOM 1310 CB PRO A 92 102.694 -17.331 -22.300 1.00 0.00 C ATOM 1311 CG PRO A 92 103.069 -17.969 -23.655 1.00 0.00 C ATOM 1312 CD PRO A 92 104.601 -18.176 -23.670 1.00 0.00 C ATOM 0 HA PRO A 92 103.984 -16.712 -20.698 1.00 0.00 H new ATOM 0 HB2 PRO A 92 101.805 -17.801 -21.878 1.00 0.00 H new ATOM 0 HB3 PRO A 92 102.470 -16.270 -22.415 1.00 0.00 H new ATOM 0 HG2 PRO A 92 102.553 -18.920 -23.785 1.00 0.00 H new ATOM 0 HG3 PRO A 92 102.762 -17.325 -24.479 1.00 0.00 H new ATOM 0 HD2 PRO A 92 104.859 -19.225 -23.813 1.00 0.00 H new ATOM 0 HD3 PRO A 92 105.069 -17.620 -24.482 1.00 0.00 H new ATOM 1320 N LYS A 93 104.270 -18.752 -19.328 1.00 0.00 N ATOM 1321 CA LYS A 93 104.225 -19.959 -18.441 1.00 0.00 C ATOM 1322 C LYS A 93 104.348 -19.618 -16.950 1.00 0.00 C ATOM 1323 O LYS A 93 104.769 -18.540 -16.578 1.00 0.00 O ATOM 1324 CB LYS A 93 105.371 -20.925 -18.838 1.00 0.00 C ATOM 1325 CG LYS A 93 106.745 -20.215 -18.706 1.00 0.00 C ATOM 1326 CD LYS A 93 107.901 -21.163 -19.104 1.00 0.00 C ATOM 1327 CE LYS A 93 108.013 -22.340 -18.113 1.00 0.00 C ATOM 1328 NZ LYS A 93 109.162 -23.208 -18.493 1.00 0.00 N ATOM 0 H LYS A 93 104.667 -17.914 -18.902 1.00 0.00 H new ATOM 0 HA LYS A 93 103.249 -20.424 -18.583 1.00 0.00 H new ATOM 0 HB2 LYS A 93 105.348 -21.809 -18.200 1.00 0.00 H new ATOM 0 HB3 LYS A 93 105.228 -21.268 -19.863 1.00 0.00 H new ATOM 0 HG2 LYS A 93 106.762 -19.329 -19.340 1.00 0.00 H new ATOM 0 HG3 LYS A 93 106.886 -19.876 -17.680 1.00 0.00 H new ATOM 0 HD2 LYS A 93 107.733 -21.545 -20.111 1.00 0.00 H new ATOM 0 HD3 LYS A 93 108.840 -20.610 -19.125 1.00 0.00 H new ATOM 0 HE2 LYS A 93 108.149 -21.963 -17.099 1.00 0.00 H new ATOM 0 HE3 LYS A 93 107.090 -22.920 -18.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 109.235 -24.000 -17.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 109.014 -23.579 -19.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 110.040 -22.652 -18.468 1.00 0.00 H new ATOM 1342 N ALA A 94 103.963 -20.587 -16.158 1.00 0.00 N ATOM 1343 CA ALA A 94 104.000 -20.472 -14.667 1.00 0.00 C ATOM 1344 C ALA A 94 105.125 -21.377 -14.138 1.00 0.00 C ATOM 1345 O ALA A 94 105.953 -21.838 -14.901 1.00 0.00 O ATOM 1346 CB ALA A 94 102.632 -20.910 -14.123 1.00 0.00 C ATOM 0 H ALA A 94 103.613 -21.483 -16.496 1.00 0.00 H new ATOM 0 HA ALA A 94 104.198 -19.449 -14.346 1.00 0.00 H new ATOM 0 HB1 ALA A 94 102.632 -20.836 -13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.854 -20.264 -14.531 1.00 0.00 H new ATOM 0 HB3 ALA A 94 102.437 -21.942 -14.416 1.00 0.00 H new ATOM 1352 N CYS A 95 105.123 -21.601 -12.847 1.00 0.00 N ATOM 1353 CA CYS A 95 106.169 -22.467 -12.213 1.00 0.00 C ATOM 1354 C CYS A 95 105.591 -23.238 -11.008 1.00 0.00 C ATOM 1355 O CYS A 95 104.575 -22.848 -10.469 1.00 0.00 O ATOM 1356 CB CYS A 95 107.321 -21.578 -11.749 1.00 0.00 C ATOM 1357 SG CYS A 95 108.207 -20.619 -13.003 1.00 0.00 S ATOM 0 H CYS A 95 104.435 -21.218 -12.198 1.00 0.00 H new ATOM 0 HA CYS A 95 106.520 -23.196 -12.943 1.00 0.00 H new ATOM 0 HB2 CYS A 95 106.928 -20.880 -11.010 1.00 0.00 H new ATOM 0 HB3 CYS A 95 108.046 -22.210 -11.237 1.00 0.00 H new ATOM 1362 N PRO A 96 106.242 -24.311 -10.612 1.00 0.00 N ATOM 1363 CA PRO A 96 106.048 -24.909 -9.258 1.00 0.00 C ATOM 1364 C PRO A 96 106.719 -24.012 -8.200 1.00 0.00 C ATOM 1365 O PRO A 96 106.427 -24.106 -7.024 1.00 0.00 O ATOM 1366 CB PRO A 96 106.668 -26.302 -9.338 1.00 0.00 C ATOM 1367 CG PRO A 96 107.539 -26.335 -10.610 1.00 0.00 C ATOM 1368 CD PRO A 96 107.234 -25.069 -11.432 1.00 0.00 C ATOM 0 HA PRO A 96 105.001 -24.985 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 96 107.270 -26.508 -8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 96 105.893 -27.067 -9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 96 108.596 -26.372 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 96 107.325 -27.229 -11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 96 108.136 -24.482 -11.604 1.00 0.00 H new ATOM 0 HD3 PRO A 96 106.827 -25.322 -12.411 1.00 0.00 H new ATOM 1376 N ARG A 97 107.606 -23.168 -8.672 1.00 0.00 N ATOM 1377 CA ARG A 97 108.355 -22.221 -7.787 1.00 0.00 C ATOM 1378 C ARG A 97 107.498 -20.993 -7.426 1.00 0.00 C ATOM 1379 O ARG A 97 107.984 -20.086 -6.776 1.00 0.00 O ATOM 1380 CB ARG A 97 109.642 -21.752 -8.516 1.00 0.00 C ATOM 1381 CG ARG A 97 110.803 -22.787 -8.497 1.00 0.00 C ATOM 1382 CD ARG A 97 110.469 -24.120 -9.214 1.00 0.00 C ATOM 1383 NE ARG A 97 109.582 -24.956 -8.348 1.00 0.00 N ATOM 1384 CZ ARG A 97 110.028 -25.571 -7.280 1.00 0.00 C ATOM 1385 NH1 ARG A 97 111.284 -25.477 -6.930 1.00 0.00 N ATOM 1386 NH2 ARG A 97 109.181 -26.275 -6.581 1.00 0.00 N ATOM 0 H ARG A 97 107.847 -23.095 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 97 108.609 -22.742 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 97 109.395 -21.520 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 97 109.989 -20.826 -8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.680 -22.343 -8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 97 111.070 -23.000 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 97 109.977 -23.918 -10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.388 -24.662 -9.439 1.00 0.00 H new ATOM 0 HE ARG A 97 108.597 -25.051 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 97 111.929 -24.920 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.619 -25.960 -6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 97 108.205 -26.334 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 97 109.495 -26.766 -5.744 1.00 0.00 H new ATOM 1400 N ASN A 98 106.256 -20.993 -7.848 1.00 0.00 N ATOM 1401 CA ASN A 98 105.344 -19.845 -7.548 1.00 0.00 C ATOM 1402 C ASN A 98 105.245 -19.530 -6.047 1.00 0.00 C ATOM 1403 O ASN A 98 105.454 -20.381 -5.206 1.00 0.00 O ATOM 1404 CB ASN A 98 103.936 -20.160 -8.095 1.00 0.00 C ATOM 1405 CG ASN A 98 103.937 -20.186 -9.634 1.00 0.00 C ATOM 1406 OD1 ASN A 98 104.875 -19.785 -10.295 1.00 0.00 O ATOM 1407 ND2 ASN A 98 102.887 -20.659 -10.247 1.00 0.00 N ATOM 0 H ASN A 98 105.833 -21.745 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 98 105.766 -18.965 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 98 103.600 -21.123 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 98 103.228 -19.411 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 98 102.862 -20.688 -11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 98 102.091 -20.999 -9.707 1.00 0.00 H new ATOM 1414 N CYS A 99 104.923 -18.286 -5.801 1.00 0.00 N ATOM 1415 CA CYS A 99 104.761 -17.710 -4.434 1.00 0.00 C ATOM 1416 C CYS A 99 106.025 -17.831 -3.560 1.00 0.00 C ATOM 1417 O CYS A 99 106.334 -18.897 -3.063 1.00 0.00 O ATOM 1418 CB CYS A 99 103.570 -18.416 -3.733 1.00 0.00 C ATOM 1419 SG CYS A 99 101.956 -18.479 -4.559 1.00 0.00 S ATOM 0 H CYS A 99 104.756 -17.606 -6.543 1.00 0.00 H new ATOM 0 HA CYS A 99 104.574 -16.643 -4.553 1.00 0.00 H new ATOM 0 HB2 CYS A 99 103.873 -19.443 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 99 103.424 -17.930 -2.768 1.00 0.00 H new ATOM 1424 N ASP A 100 106.717 -16.726 -3.405 1.00 0.00 N ATOM 1425 CA ASP A 100 107.965 -16.704 -2.576 1.00 0.00 C ATOM 1426 C ASP A 100 107.849 -15.607 -1.492 1.00 0.00 C ATOM 1427 O ASP A 100 107.932 -14.435 -1.810 1.00 0.00 O ATOM 1428 CB ASP A 100 109.185 -16.421 -3.490 1.00 0.00 C ATOM 1429 CG ASP A 100 110.497 -16.306 -2.681 1.00 0.00 C ATOM 1430 OD1 ASP A 100 110.616 -16.989 -1.676 1.00 0.00 O ATOM 1431 OD2 ASP A 100 111.319 -15.522 -3.129 1.00 0.00 O ATOM 0 H ASP A 100 106.467 -15.829 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 100 108.098 -17.670 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 100 109.281 -17.220 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 100 109.017 -15.497 -4.043 1.00 0.00 H new ATOM 1436 N PRO A 101 107.663 -16.001 -0.246 1.00 0.00 N ATOM 1437 CA PRO A 101 107.539 -15.042 0.892 1.00 0.00 C ATOM 1438 C PRO A 101 108.820 -14.219 1.074 1.00 0.00 C ATOM 1439 O PRO A 101 108.766 -13.119 1.593 1.00 0.00 O ATOM 1440 CB PRO A 101 107.221 -15.885 2.128 1.00 0.00 C ATOM 1441 CG PRO A 101 107.268 -17.361 1.705 1.00 0.00 C ATOM 1442 CD PRO A 101 107.550 -17.425 0.198 1.00 0.00 C ATOM 0 HA PRO A 101 106.750 -14.313 0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 101 107.943 -15.690 2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 101 106.237 -15.631 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 101 108.044 -17.890 2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 101 106.322 -17.852 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 101 108.469 -17.974 -0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 101 106.747 -17.939 -0.330 1.00 0.00 H new ATOM 1450 N ARG A 102 109.929 -14.774 0.643 1.00 0.00 N ATOM 1451 CA ARG A 102 111.241 -14.058 0.769 1.00 0.00 C ATOM 1452 C ARG A 102 111.130 -12.717 0.035 1.00 0.00 C ATOM 1453 O ARG A 102 111.650 -11.715 0.486 1.00 0.00 O ATOM 1454 CB ARG A 102 112.356 -14.903 0.132 1.00 0.00 C ATOM 1455 CG ARG A 102 112.478 -16.265 0.856 1.00 0.00 C ATOM 1456 CD ARG A 102 113.428 -17.208 0.084 1.00 0.00 C ATOM 1457 NE ARG A 102 114.772 -16.562 -0.065 1.00 0.00 N ATOM 1458 CZ ARG A 102 115.125 -15.919 -1.153 1.00 0.00 C ATOM 1459 NH1 ARG A 102 114.309 -15.805 -2.170 1.00 0.00 N ATOM 1460 NH2 ARG A 102 116.322 -15.401 -1.186 1.00 0.00 N ATOM 0 H ARG A 102 109.983 -15.695 0.208 1.00 0.00 H new ATOM 0 HA ARG A 102 111.479 -13.894 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 102 112.142 -15.063 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 102 113.304 -14.368 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 102 112.852 -16.113 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 102 111.494 -16.725 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 102 113.526 -18.155 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 102 113.012 -17.435 -0.898 1.00 0.00 H new ATOM 0 HE ARG A 102 115.436 -16.624 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 102 113.378 -16.220 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 102 114.604 -15.301 -3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 102 116.944 -15.504 -0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 102 116.635 -14.893 -2.013 1.00 0.00 H new ATOM 1474 N ILE A 103 110.440 -12.755 -1.079 1.00 0.00 N ATOM 1475 CA ILE A 103 110.244 -11.522 -1.896 1.00 0.00 C ATOM 1476 C ILE A 103 109.143 -10.662 -1.289 1.00 0.00 C ATOM 1477 O ILE A 103 108.261 -11.131 -0.597 1.00 0.00 O ATOM 1478 CB ILE A 103 109.891 -11.948 -3.356 1.00 0.00 C ATOM 1479 CG1 ILE A 103 111.216 -12.320 -4.033 1.00 0.00 C ATOM 1480 CG2 ILE A 103 109.235 -10.788 -4.157 1.00 0.00 C ATOM 1481 CD1 ILE A 103 110.968 -13.096 -5.347 1.00 0.00 C ATOM 0 H ILE A 103 110.002 -13.595 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 103 111.156 -10.925 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 103 109.180 -12.774 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 103 111.788 -11.416 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 103 111.817 -12.927 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 103 109.006 -11.127 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 103 108.315 -10.478 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 103 109.923 -9.944 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 103 111.924 -13.348 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 103 110.417 -14.011 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 103 110.388 -12.477 -6.031 1.00 0.00 H new ATOM 1493 N ALA A 104 109.276 -9.405 -1.606 1.00 0.00 N ATOM 1494 CA ALA A 104 108.319 -8.359 -1.132 1.00 0.00 C ATOM 1495 C ALA A 104 107.903 -7.480 -2.309 1.00 0.00 C ATOM 1496 O ALA A 104 106.736 -7.196 -2.494 1.00 0.00 O ATOM 1497 CB ALA A 104 109.000 -7.501 -0.071 1.00 0.00 C ATOM 0 H ALA A 104 110.030 -9.046 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 104 107.436 -8.835 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 104 108.307 -6.736 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 104 109.300 -8.129 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 104 109.881 -7.023 -0.500 1.00 0.00 H new ATOM 1503 N TYR A 105 108.894 -7.082 -3.067 1.00 0.00 N ATOM 1504 CA TYR A 105 108.663 -6.213 -4.259 1.00 0.00 C ATOM 1505 C TYR A 105 109.570 -6.670 -5.414 1.00 0.00 C ATOM 1506 O TYR A 105 110.107 -7.762 -5.404 1.00 0.00 O ATOM 1507 CB TYR A 105 108.983 -4.745 -3.873 1.00 0.00 C ATOM 1508 CG TYR A 105 108.241 -4.366 -2.580 1.00 0.00 C ATOM 1509 CD1 TYR A 105 106.899 -4.037 -2.603 1.00 0.00 C ATOM 1510 CD2 TYR A 105 108.912 -4.354 -1.371 1.00 0.00 C ATOM 1511 CE1 TYR A 105 106.242 -3.702 -1.437 1.00 0.00 C ATOM 1512 CE2 TYR A 105 108.254 -4.020 -0.208 1.00 0.00 C ATOM 1513 CZ TYR A 105 106.915 -3.692 -0.233 1.00 0.00 C ATOM 1514 OH TYR A 105 106.256 -3.358 0.933 1.00 0.00 O ATOM 0 H TYR A 105 109.871 -7.328 -2.906 1.00 0.00 H new ATOM 0 HA TYR A 105 107.625 -6.286 -4.582 1.00 0.00 H new ATOM 0 HB2 TYR A 105 110.057 -4.623 -3.734 1.00 0.00 H new ATOM 0 HB3 TYR A 105 108.688 -4.075 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 105 106.361 -4.042 -3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 105 109.961 -4.609 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 105 105.193 -3.446 -1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 105 108.790 -4.015 0.729 1.00 0.00 H new ATOM 0 HH TYR A 105 106.881 -3.403 1.686 1.00 0.00 H new ATOM 1524 N GLY A 106 109.700 -5.792 -6.373 1.00 0.00 N ATOM 1525 CA GLY A 106 110.536 -6.038 -7.581 1.00 0.00 C ATOM 1526 C GLY A 106 111.007 -4.682 -8.091 1.00 0.00 C ATOM 1527 O GLY A 106 110.229 -3.922 -8.636 1.00 0.00 O ATOM 0 H GLY A 106 109.242 -4.880 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 106 111.387 -6.673 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 106 109.961 -6.558 -8.347 1.00 0.00 H new ATOM 1531 N ILE A 107 112.275 -4.424 -7.896 1.00 0.00 N ATOM 1532 CA ILE A 107 112.876 -3.134 -8.341 1.00 0.00 C ATOM 1533 C ILE A 107 113.147 -3.225 -9.852 1.00 0.00 C ATOM 1534 O ILE A 107 114.234 -3.545 -10.293 1.00 0.00 O ATOM 1535 CB ILE A 107 114.181 -2.914 -7.505 1.00 0.00 C ATOM 1536 CG1 ILE A 107 113.795 -2.845 -5.995 1.00 0.00 C ATOM 1537 CG2 ILE A 107 114.852 -1.582 -7.940 1.00 0.00 C ATOM 1538 CD1 ILE A 107 115.052 -2.799 -5.102 1.00 0.00 C ATOM 0 H ILE A 107 112.927 -5.063 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 107 112.216 -2.282 -8.178 1.00 0.00 H new ATOM 0 HB ILE A 107 114.880 -3.734 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 107 113.183 -1.961 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 107 113.189 -3.712 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 107 115.761 -1.426 -7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 107 115.102 -1.630 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 107 114.164 -0.754 -7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 107 114.753 -2.751 -4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 107 115.649 -3.695 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 107 115.643 -1.918 -5.351 1.00 0.00 H new ATOM 1550 N CYS A 108 112.109 -2.934 -10.596 1.00 0.00 N ATOM 1551 CA CYS A 108 112.189 -2.970 -12.087 1.00 0.00 C ATOM 1552 C CYS A 108 112.863 -1.649 -12.535 1.00 0.00 C ATOM 1553 O CYS A 108 112.276 -0.598 -12.374 1.00 0.00 O ATOM 1554 CB CYS A 108 110.756 -3.090 -12.648 1.00 0.00 C ATOM 1555 SG CYS A 108 109.629 -4.303 -11.907 1.00 0.00 S ATOM 0 H CYS A 108 111.196 -2.669 -10.226 1.00 0.00 H new ATOM 0 HA CYS A 108 112.769 -3.817 -12.453 1.00 0.00 H new ATOM 0 HB2 CYS A 108 110.286 -2.110 -12.567 1.00 0.00 H new ATOM 0 HB3 CYS A 108 110.835 -3.319 -13.711 1.00 0.00 H new ATOM 1560 N PRO A 109 114.063 -1.716 -13.076 1.00 0.00 N ATOM 1561 CA PRO A 109 114.909 -0.505 -13.289 1.00 0.00 C ATOM 1562 C PRO A 109 114.328 0.395 -14.389 1.00 0.00 C ATOM 1563 O PRO A 109 113.819 1.465 -14.110 1.00 0.00 O ATOM 1564 CB PRO A 109 116.302 -1.040 -13.635 1.00 0.00 C ATOM 1565 CG PRO A 109 116.122 -2.514 -14.036 1.00 0.00 C ATOM 1566 CD PRO A 109 114.734 -2.965 -13.549 1.00 0.00 C ATOM 0 HA PRO A 109 114.949 0.131 -12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 109 116.745 -0.468 -14.451 1.00 0.00 H new ATOM 0 HB3 PRO A 109 116.974 -0.950 -12.782 1.00 0.00 H new ATOM 0 HG2 PRO A 109 116.204 -2.629 -15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 109 116.903 -3.130 -13.590 1.00 0.00 H new ATOM 0 HD2 PRO A 109 114.168 -3.436 -14.353 1.00 0.00 H new ATOM 0 HD3 PRO A 109 114.817 -3.697 -12.745 1.00 0.00 H new ATOM 1574 N LEU A 110 114.424 -0.079 -15.604 1.00 0.00 N ATOM 1575 CA LEU A 110 113.905 0.683 -16.785 1.00 0.00 C ATOM 1576 C LEU A 110 112.436 0.313 -17.059 1.00 0.00 C ATOM 1577 O LEU A 110 112.041 0.084 -18.187 1.00 0.00 O ATOM 1578 CB LEU A 110 114.801 0.344 -18.006 1.00 0.00 C ATOM 1579 CG LEU A 110 116.294 0.698 -17.731 1.00 0.00 C ATOM 1580 CD1 LEU A 110 117.143 0.257 -18.943 1.00 0.00 C ATOM 1581 CD2 LEU A 110 116.473 2.222 -17.531 1.00 0.00 C ATOM 0 H LEU A 110 114.847 -0.978 -15.834 1.00 0.00 H new ATOM 0 HA LEU A 110 113.939 1.755 -16.589 1.00 0.00 H new ATOM 0 HB2 LEU A 110 114.714 -0.717 -18.240 1.00 0.00 H new ATOM 0 HB3 LEU A 110 114.450 0.893 -18.880 1.00 0.00 H new ATOM 0 HG LEU A 110 116.612 0.184 -16.824 1.00 0.00 H new ATOM 0 HD11 LEU A 110 118.190 0.500 -18.762 1.00 0.00 H new ATOM 0 HD12 LEU A 110 117.040 -0.818 -19.088 1.00 0.00 H new ATOM 0 HD13 LEU A 110 116.799 0.778 -19.837 1.00 0.00 H new ATOM 0 HD21 LEU A 110 117.523 2.443 -17.341 1.00 0.00 H new ATOM 0 HD22 LEU A 110 116.149 2.747 -18.429 1.00 0.00 H new ATOM 0 HD23 LEU A 110 115.873 2.550 -16.682 1.00 0.00 H new ATOM 1593 N ALA A 111 111.667 0.269 -15.998 1.00 0.00 N ATOM 1594 CA ALA A 111 110.213 -0.077 -16.104 1.00 0.00 C ATOM 1595 C ALA A 111 109.450 0.386 -14.848 1.00 0.00 C ATOM 1596 O ALA A 111 108.312 0.787 -15.023 1.00 0.00 O ATOM 1597 CB ALA A 111 110.074 -1.598 -16.269 1.00 0.00 C ATOM 1598 OXT ALA A 111 110.043 0.312 -13.783 1.00 0.00 O ATOM 0 H ALA A 111 111.989 0.461 -15.049 1.00 0.00 H new ATOM 0 HA ALA A 111 109.786 0.432 -16.968 1.00 0.00 H new ATOM 0 HB1 ALA A 111 109.019 -1.861 -16.347 1.00 0.00 H new ATOM 0 HB2 ALA A 111 110.595 -1.915 -17.173 1.00 0.00 H new ATOM 0 HB3 ALA A 111 110.510 -2.099 -15.405 1.00 0.00 H new TER 1604 ALA A 111