USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.388 K(o=1.4,f=-5) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 148:sc= 0.188 (180deg=-0.261) USER MOD Set 2.2: A 10 TYR OH : rot -130:sc= 0.251 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 1.31 K(o=1.5,f=-5.4!) USER MOD Set 3.2: A 6 SER OG : rot -116:sc= 0.199 USER MOD Single : A 8 SER OG : rot -35:sc= 0.446 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.667 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00116 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -174:sc= -1.86! USER MOD Single : A 46 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-8.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 54 TYR OH : rot -104:sc= 1.28 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0753 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.07) USER MOD Single : A 81 SER OG : rot 180:sc= -0.112 USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 1.06 (180deg=1.05) USER MOD Single : A 85 GLN : amide:sc= 0.111 X(o=0.11,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 9.528 8.309 -10.148 1.00 0.00 N ATOM 2 CA GLU A 2 9.447 9.624 -9.531 1.00 0.00 C ATOM 3 C GLU A 2 9.745 9.488 -8.052 1.00 0.00 C ATOM 4 O GLU A 2 9.424 8.456 -7.433 1.00 0.00 O ATOM 5 CB GLU A 2 8.046 10.237 -9.754 1.00 0.00 C ATOM 6 CG GLU A 2 7.850 11.622 -9.136 1.00 0.00 C ATOM 7 CD GLU A 2 8.876 12.627 -9.614 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.668 13.251 -10.669 1.00 0.00 O ATOM 9 OE2 GLU A 2 9.908 12.798 -8.945 1.00 0.00 O ATOM 0 HA GLU A 2 10.178 10.291 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.859 10.302 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.298 9.560 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.851 11.985 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.905 11.542 -8.050 1.00 0.00 H new ATOM 16 N LEU A 3 10.369 10.487 -7.493 1.00 0.00 N ATOM 17 CA LEU A 3 10.655 10.492 -6.112 1.00 0.00 C ATOM 18 C LEU A 3 9.630 11.295 -5.394 1.00 0.00 C ATOM 19 O LEU A 3 9.323 12.441 -5.751 1.00 0.00 O ATOM 20 CB LEU A 3 12.085 10.912 -5.798 1.00 0.00 C ATOM 21 CG LEU A 3 13.151 9.862 -6.131 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.542 10.400 -5.851 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.898 8.575 -5.330 1.00 0.00 C ATOM 0 H LEU A 3 10.688 11.315 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 3 10.596 9.467 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.310 11.825 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.153 11.155 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 3 13.086 9.629 -7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.283 9.638 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.719 11.286 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.625 10.663 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.662 7.837 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.937 8.797 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.915 8.177 -5.582 1.00 0.00 H new ATOM 35 N LYS A 4 9.086 10.678 -4.425 1.00 0.00 N ATOM 36 CA LYS A 4 7.986 11.199 -3.690 1.00 0.00 C ATOM 37 C LYS A 4 8.416 11.733 -2.360 1.00 0.00 C ATOM 38 O LYS A 4 9.526 11.451 -1.888 1.00 0.00 O ATOM 39 CB LYS A 4 6.938 10.091 -3.506 1.00 0.00 C ATOM 40 CG LYS A 4 7.501 8.754 -3.061 1.00 0.00 C ATOM 41 CD LYS A 4 7.919 8.718 -1.607 1.00 0.00 C ATOM 42 CE LYS A 4 8.338 7.329 -1.190 1.00 0.00 C ATOM 43 NZ LYS A 4 9.267 6.675 -2.153 1.00 0.00 N ATOM 0 H LYS A 4 9.398 9.762 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 4 7.555 12.030 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.203 10.423 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.408 9.951 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.753 7.980 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.362 8.508 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.744 9.412 -1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.093 9.054 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.818 7.381 -0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.449 6.709 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.915 6.046 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.719 6.119 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.816 7.402 -2.655 1.00 0.00 H new ATOM 57 N HIS A 5 7.556 12.481 -1.758 1.00 0.00 N ATOM 58 CA HIS A 5 7.786 12.931 -0.418 1.00 0.00 C ATOM 59 C HIS A 5 6.921 12.114 0.556 1.00 0.00 C ATOM 60 O HIS A 5 7.253 11.997 1.732 1.00 0.00 O ATOM 61 CB HIS A 5 7.518 14.451 -0.272 1.00 0.00 C ATOM 62 CG HIS A 5 6.079 14.859 -0.405 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.370 14.784 -1.568 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.210 15.304 0.530 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.133 15.160 -1.324 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.972 15.495 -0.059 1.00 0.00 N ATOM 0 H HIS A 5 6.679 12.799 -2.172 1.00 0.00 H new ATOM 0 HA HIS A 5 8.837 12.773 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.884 14.777 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.101 14.981 -1.025 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.736 14.487 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.444 15.482 1.569 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.349 15.190 -2.066 1.00 0.00 H new ATOM 74 N SER A 6 5.833 11.511 0.047 1.00 0.00 N ATOM 75 CA SER A 6 4.893 10.797 0.911 1.00 0.00 C ATOM 76 C SER A 6 4.004 9.854 0.103 1.00 0.00 C ATOM 77 O SER A 6 4.215 9.672 -1.100 1.00 0.00 O ATOM 78 CB SER A 6 4.000 11.828 1.594 1.00 0.00 C ATOM 79 OG SER A 6 3.244 12.532 0.614 1.00 0.00 O ATOM 0 H SER A 6 5.590 11.506 -0.944 1.00 0.00 H new ATOM 0 HA SER A 6 5.458 10.209 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.330 11.334 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.608 12.526 2.169 1.00 0.00 H new ATOM 0 HG SER A 6 3.498 13.479 0.623 1.00 0.00 H new ATOM 85 N ILE A 7 3.004 9.279 0.784 1.00 0.00 N ATOM 86 CA ILE A 7 1.986 8.433 0.168 1.00 0.00 C ATOM 87 C ILE A 7 1.060 9.281 -0.719 1.00 0.00 C ATOM 88 O ILE A 7 0.585 8.826 -1.744 1.00 0.00 O ATOM 89 CB ILE A 7 1.121 7.711 1.253 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.062 6.800 0.607 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.467 8.722 2.180 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.789 6.042 1.602 1.00 0.00 C ATOM 0 H ILE A 7 2.882 9.393 1.790 1.00 0.00 H new ATOM 0 HA ILE A 7 2.499 7.684 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 7 1.786 7.082 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.588 7.407 -0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.563 6.085 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.130 8.198 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.237 9.310 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.177 9.384 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.510 5.423 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.151 5.407 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.320 6.749 2.240 1.00 0.00 H new ATOM 104 N SER A 8 0.860 10.541 -0.336 1.00 0.00 N ATOM 105 CA SER A 8 -0.022 11.426 -1.061 1.00 0.00 C ATOM 106 C SER A 8 0.688 11.975 -2.282 1.00 0.00 C ATOM 107 O SER A 8 0.136 12.771 -3.038 1.00 0.00 O ATOM 108 CB SER A 8 -0.519 12.561 -0.152 1.00 0.00 C ATOM 109 OG SER A 8 -1.449 13.404 -0.819 1.00 0.00 O ATOM 0 H SER A 8 1.304 10.965 0.479 1.00 0.00 H new ATOM 0 HA SER A 8 -0.894 10.863 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.986 12.137 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.331 13.154 0.187 1.00 0.00 H new ATOM 0 HG SER A 8 -1.197 13.487 -1.762 1.00 0.00 H new ATOM 115 N ASP A 9 1.928 11.589 -2.445 1.00 0.00 N ATOM 116 CA ASP A 9 2.662 11.940 -3.629 1.00 0.00 C ATOM 117 C ASP A 9 2.469 10.822 -4.647 1.00 0.00 C ATOM 118 O ASP A 9 2.714 10.979 -5.827 1.00 0.00 O ATOM 119 CB ASP A 9 4.118 12.087 -3.305 1.00 0.00 C ATOM 120 CG ASP A 9 4.878 12.963 -4.270 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.440 13.185 -5.423 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.922 13.491 -3.856 1.00 0.00 O ATOM 0 H ASP A 9 2.450 11.030 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 9 2.302 12.888 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.216 12.500 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.577 11.099 -3.289 1.00 0.00 H new ATOM 127 N TYR A 10 2.017 9.688 -4.167 1.00 0.00 N ATOM 128 CA TYR A 10 1.686 8.586 -5.026 1.00 0.00 C ATOM 129 C TYR A 10 0.296 8.781 -5.494 1.00 0.00 C ATOM 130 O TYR A 10 -0.566 9.202 -4.723 1.00 0.00 O ATOM 131 CB TYR A 10 1.739 7.236 -4.292 1.00 0.00 C ATOM 132 CG TYR A 10 3.105 6.690 -4.020 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.909 7.220 -3.039 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.594 5.619 -4.757 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.132 6.722 -2.803 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.845 5.109 -4.517 1.00 0.00 C ATOM 137 CZ TYR A 10 5.612 5.670 -3.534 1.00 0.00 C ATOM 138 OH TYR A 10 6.877 5.190 -3.281 1.00 0.00 O ATOM 0 H TYR A 10 1.870 9.508 -3.174 1.00 0.00 H new ATOM 0 HA TYR A 10 2.410 8.563 -5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.216 7.341 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.187 6.503 -4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.550 8.050 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.980 5.181 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.745 7.157 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.218 4.277 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 10 7.374 5.119 -4.122 1.00 0.00 H new ATOM 148 N THR A 11 0.059 8.515 -6.729 1.00 0.00 N ATOM 149 CA THR A 11 -1.273 8.538 -7.220 1.00 0.00 C ATOM 150 C THR A 11 -1.913 7.239 -6.789 1.00 0.00 C ATOM 151 O THR A 11 -1.194 6.322 -6.329 1.00 0.00 O ATOM 152 CB THR A 11 -1.286 8.651 -8.755 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.522 7.569 -9.321 1.00 0.00 O ATOM 154 CG2 THR A 11 -0.691 9.978 -9.203 1.00 0.00 C ATOM 0 H THR A 11 0.771 8.278 -7.420 1.00 0.00 H new ATOM 0 HA THR A 11 -1.815 9.398 -6.828 1.00 0.00 H new ATOM 0 HB THR A 11 -2.319 8.598 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.531 7.639 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.710 10.036 -10.291 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.275 10.798 -8.785 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.339 10.051 -8.854 1.00 0.00 H new ATOM 162 N GLU A 12 -3.223 7.124 -6.928 1.00 0.00 N ATOM 163 CA GLU A 12 -3.902 5.888 -6.573 1.00 0.00 C ATOM 164 C GLU A 12 -3.287 4.746 -7.374 1.00 0.00 C ATOM 165 O GLU A 12 -3.039 3.682 -6.856 1.00 0.00 O ATOM 166 CB GLU A 12 -5.403 5.983 -6.858 1.00 0.00 C ATOM 167 CG GLU A 12 -6.184 4.733 -6.478 1.00 0.00 C ATOM 168 CD GLU A 12 -7.638 4.822 -6.838 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.011 4.419 -7.972 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.445 5.286 -5.998 1.00 0.00 O ATOM 0 H GLU A 12 -3.833 7.862 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.779 5.706 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.813 6.834 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.549 6.182 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.743 3.870 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.090 4.564 -5.405 1.00 0.00 H new ATOM 177 N ALA A 13 -2.955 5.045 -8.610 1.00 0.00 N ATOM 178 CA ALA A 13 -2.368 4.072 -9.516 1.00 0.00 C ATOM 179 C ALA A 13 -0.928 3.711 -9.118 1.00 0.00 C ATOM 180 O ALA A 13 -0.599 2.537 -9.028 1.00 0.00 O ATOM 181 CB ALA A 13 -2.432 4.568 -10.946 1.00 0.00 C ATOM 0 H ALA A 13 -3.083 5.970 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.957 3.158 -9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.988 3.826 -11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.472 4.730 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.882 5.505 -11.031 1.00 0.00 H new ATOM 187 N GLU A 14 -0.075 4.713 -8.849 1.00 0.00 N ATOM 188 CA GLU A 14 1.320 4.431 -8.447 1.00 0.00 C ATOM 189 C GLU A 14 1.390 3.704 -7.124 1.00 0.00 C ATOM 190 O GLU A 14 2.280 2.875 -6.897 1.00 0.00 O ATOM 191 CB GLU A 14 2.188 5.678 -8.390 1.00 0.00 C ATOM 192 CG GLU A 14 2.563 6.235 -9.737 1.00 0.00 C ATOM 193 CD GLU A 14 3.538 7.364 -9.624 1.00 0.00 C ATOM 194 OE1 GLU A 14 4.631 7.167 -9.077 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.259 8.464 -10.113 1.00 0.00 O ATOM 0 H GLU A 14 -0.315 5.703 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 14 1.718 3.785 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.661 6.447 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.100 5.447 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.994 5.443 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.665 6.581 -10.249 1.00 0.00 H new ATOM 202 N PHE A 15 0.458 4.003 -6.258 1.00 0.00 N ATOM 203 CA PHE A 15 0.381 3.342 -4.985 1.00 0.00 C ATOM 204 C PHE A 15 -0.169 1.959 -5.171 1.00 0.00 C ATOM 205 O PHE A 15 0.212 1.049 -4.503 1.00 0.00 O ATOM 206 CB PHE A 15 -0.472 4.131 -4.012 1.00 0.00 C ATOM 207 CG PHE A 15 -0.498 3.543 -2.650 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.483 3.860 -1.743 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.507 2.668 -2.273 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.466 3.325 -0.488 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.527 2.132 -1.017 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.542 2.462 -0.126 1.00 0.00 C ATOM 0 H PHE A 15 -0.264 4.707 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 15 1.384 3.275 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.095 5.152 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.491 4.189 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.275 4.538 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.283 2.409 -2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.242 3.578 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.315 1.452 -0.729 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.556 2.042 0.869 1.00 0.00 H new ATOM 222 N LEU A 16 -1.036 1.803 -6.096 1.00 0.00 N ATOM 223 CA LEU A 16 -1.601 0.507 -6.377 1.00 0.00 C ATOM 224 C LEU A 16 -0.553 -0.355 -7.036 1.00 0.00 C ATOM 225 O LEU A 16 -0.574 -1.580 -6.961 1.00 0.00 O ATOM 226 CB LEU A 16 -2.863 0.701 -7.199 1.00 0.00 C ATOM 227 CG LEU A 16 -3.772 -0.453 -7.308 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.192 0.016 -7.440 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.440 -1.272 -8.469 1.00 0.00 C ATOM 0 H LEU A 16 -1.385 2.557 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.897 -0.020 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.422 1.534 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.570 0.998 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.659 -1.050 -6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.854 -0.846 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.464 0.603 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.290 0.633 -8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.126 -2.117 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.527 -0.672 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.418 -1.640 -8.375 1.00 0.00 H new ATOM 241 N GLU A 17 0.363 0.280 -7.644 1.00 0.00 N ATOM 242 CA GLU A 17 1.502 -0.393 -8.119 1.00 0.00 C ATOM 243 C GLU A 17 2.463 -0.756 -7.003 1.00 0.00 C ATOM 244 O GLU A 17 3.250 -1.631 -7.202 1.00 0.00 O ATOM 245 CB GLU A 17 2.194 0.271 -9.294 1.00 0.00 C ATOM 246 CG GLU A 17 1.354 0.226 -10.555 1.00 0.00 C ATOM 247 CD GLU A 17 2.130 0.566 -11.784 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.844 -0.328 -12.317 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.030 1.694 -12.276 1.00 0.00 O ATOM 0 H GLU A 17 0.347 1.283 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 17 1.117 -1.326 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.415 1.309 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.148 -0.223 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.927 -0.771 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.520 0.921 -10.455 1.00 0.00 H new ATOM 256 N PHE A 18 2.370 -0.088 -5.808 1.00 0.00 N ATOM 257 CA PHE A 18 3.242 -0.423 -4.643 1.00 0.00 C ATOM 258 C PHE A 18 3.091 -1.884 -4.377 1.00 0.00 C ATOM 259 O PHE A 18 4.047 -2.639 -4.349 1.00 0.00 O ATOM 260 CB PHE A 18 2.876 0.411 -3.302 1.00 0.00 C ATOM 261 CG PHE A 18 2.098 -0.338 -2.127 1.00 0.00 C ATOM 262 CD1 PHE A 18 2.793 -1.009 -1.130 1.00 0.00 C ATOM 263 CD2 PHE A 18 0.697 -0.361 -2.047 1.00 0.00 C ATOM 264 CE1 PHE A 18 2.133 -1.673 -0.099 1.00 0.00 C ATOM 265 CE2 PHE A 18 0.038 -1.037 -1.005 1.00 0.00 C ATOM 266 CZ PHE A 18 0.764 -1.686 -0.042 1.00 0.00 C ATOM 0 H PHE A 18 1.711 0.671 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 18 4.267 -0.153 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.807 0.799 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.277 1.271 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.873 -1.016 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.115 0.150 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.705 -2.182 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.041 -1.044 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.260 -2.206 0.759 1.00 0.00 H new ATOM 276 N VAL A 19 1.862 -2.265 -4.280 1.00 0.00 N ATOM 277 CA VAL A 19 1.496 -3.586 -3.927 1.00 0.00 C ATOM 278 C VAL A 19 1.751 -4.572 -5.058 1.00 0.00 C ATOM 279 O VAL A 19 2.233 -5.690 -4.816 1.00 0.00 O ATOM 280 CB VAL A 19 0.042 -3.633 -3.396 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.965 -3.165 -4.414 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.298 -4.982 -2.819 1.00 0.00 C ATOM 0 H VAL A 19 1.068 -1.648 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 19 2.141 -3.907 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.016 -2.917 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.966 -3.220 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.746 -2.135 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.912 -3.801 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.326 -4.974 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.190 -5.745 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.376 -5.204 -1.992 1.00 0.00 H new ATOM 292 N LYS A 20 1.461 -4.154 -6.289 1.00 0.00 N ATOM 293 CA LYS A 20 1.733 -4.993 -7.438 1.00 0.00 C ATOM 294 C LYS A 20 3.223 -5.287 -7.501 1.00 0.00 C ATOM 295 O LYS A 20 3.638 -6.415 -7.642 1.00 0.00 O ATOM 296 CB LYS A 20 1.321 -4.325 -8.736 1.00 0.00 C ATOM 297 CG LYS A 20 -0.155 -4.121 -8.864 1.00 0.00 C ATOM 298 CD LYS A 20 -0.506 -3.662 -10.240 1.00 0.00 C ATOM 299 CE LYS A 20 -1.994 -3.519 -10.434 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.340 -3.228 -11.842 1.00 0.00 N ATOM 0 H LYS A 20 1.043 -3.250 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 20 1.155 -5.910 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.820 -3.359 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.669 -4.931 -9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.677 -5.052 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.490 -3.385 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.023 -2.705 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.114 -4.372 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.491 -4.437 -10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.368 -2.719 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.372 -3.137 -11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.886 -2.339 -12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.005 -4.003 -12.449 1.00 0.00 H new ATOM 314 N LYS A 21 4.002 -4.231 -7.324 1.00 0.00 N ATOM 315 CA LYS A 21 5.462 -4.237 -7.325 1.00 0.00 C ATOM 316 C LYS A 21 6.003 -5.189 -6.266 1.00 0.00 C ATOM 317 O LYS A 21 6.940 -5.897 -6.514 1.00 0.00 O ATOM 318 CB LYS A 21 5.919 -2.794 -7.069 1.00 0.00 C ATOM 319 CG LYS A 21 7.388 -2.501 -6.863 1.00 0.00 C ATOM 320 CD LYS A 21 7.514 -1.008 -6.553 1.00 0.00 C ATOM 321 CE LYS A 21 8.920 -0.572 -6.205 1.00 0.00 C ATOM 322 NZ LYS A 21 9.864 -0.737 -7.317 1.00 0.00 N ATOM 0 H LYS A 21 3.617 -3.299 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 21 5.847 -4.591 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.581 -2.191 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.388 -2.435 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.788 -3.099 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.960 -2.758 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.170 -0.437 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.852 -0.762 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.905 0.475 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.272 -1.148 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.809 -0.422 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.904 -1.739 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.549 -0.167 -8.128 1.00 0.00 H new ATOM 336 N ILE A 22 5.390 -5.220 -5.114 1.00 0.00 N ATOM 337 CA ILE A 22 5.819 -6.129 -4.059 1.00 0.00 C ATOM 338 C ILE A 22 5.524 -7.577 -4.465 1.00 0.00 C ATOM 339 O ILE A 22 6.336 -8.478 -4.276 1.00 0.00 O ATOM 340 CB ILE A 22 5.115 -5.799 -2.716 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.418 -4.356 -2.322 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.574 -6.755 -1.617 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.728 -3.884 -1.084 1.00 0.00 C ATOM 0 H ILE A 22 4.593 -4.632 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 22 6.893 -6.005 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 22 4.039 -5.920 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.494 -4.251 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.138 -3.703 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.068 -6.506 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.330 -7.779 -1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.652 -6.663 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.005 -2.849 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.649 -3.951 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.026 -4.508 -0.241 1.00 0.00 H new ATOM 355 N CYS A 23 4.390 -7.776 -5.083 1.00 0.00 N ATOM 356 CA CYS A 23 3.964 -9.095 -5.461 1.00 0.00 C ATOM 357 C CYS A 23 4.753 -9.610 -6.702 1.00 0.00 C ATOM 358 O CYS A 23 5.047 -10.794 -6.808 1.00 0.00 O ATOM 359 CB CYS A 23 2.446 -9.086 -5.715 1.00 0.00 C ATOM 360 SG CYS A 23 1.666 -10.717 -5.817 1.00 0.00 S ATOM 0 H CYS A 23 3.740 -7.032 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 23 4.178 -9.787 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.965 -8.521 -4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.253 -8.551 -6.645 1.00 0.00 H new ATOM 0 HG CYS A 23 0.391 -10.576 -6.031 1.00 0.00 H new ATOM 366 N ARG A 24 5.112 -8.708 -7.611 1.00 0.00 N ATOM 367 CA ARG A 24 5.797 -9.093 -8.855 1.00 0.00 C ATOM 368 C ARG A 24 7.324 -8.890 -8.817 1.00 0.00 C ATOM 369 O ARG A 24 8.077 -9.686 -9.359 1.00 0.00 O ATOM 370 CB ARG A 24 5.197 -8.339 -10.052 1.00 0.00 C ATOM 371 CG ARG A 24 5.416 -6.847 -10.055 1.00 0.00 C ATOM 372 CD ARG A 24 4.708 -6.215 -11.215 1.00 0.00 C ATOM 373 NE ARG A 24 4.904 -4.757 -11.236 1.00 0.00 N ATOM 374 CZ ARG A 24 4.057 -3.859 -11.780 1.00 0.00 C ATOM 375 NH1 ARG A 24 2.974 -4.265 -12.431 1.00 0.00 N ATOM 376 NH2 ARG A 24 4.322 -2.553 -11.683 1.00 0.00 N ATOM 0 H ARG A 24 4.943 -7.707 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 24 5.633 -10.165 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.619 -8.752 -10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.124 -8.531 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.052 -6.418 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.483 -6.630 -10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.076 -6.646 -12.146 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.643 -6.439 -11.159 1.00 0.00 H new ATOM 0 HE ARG A 24 5.753 -4.394 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.778 -5.262 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.338 -3.580 -12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.163 -2.238 -11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.684 -1.871 -12.093 1.00 0.00 H new ATOM 390 N ALA A 25 7.763 -7.842 -8.172 1.00 0.00 N ATOM 391 CA ALA A 25 9.161 -7.421 -8.182 1.00 0.00 C ATOM 392 C ALA A 25 9.832 -7.679 -6.844 1.00 0.00 C ATOM 393 O ALA A 25 10.830 -7.042 -6.516 1.00 0.00 O ATOM 394 CB ALA A 25 9.267 -5.953 -8.584 1.00 0.00 C ATOM 0 H ALA A 25 7.159 -7.240 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 25 9.691 -8.019 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.314 -5.651 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.847 -5.817 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.715 -5.340 -7.871 1.00 0.00 H new ATOM 400 N GLU A 26 9.262 -8.617 -6.080 1.00 0.00 N ATOM 401 CA GLU A 26 9.723 -9.026 -4.719 1.00 0.00 C ATOM 402 C GLU A 26 11.261 -9.185 -4.603 1.00 0.00 C ATOM 403 O GLU A 26 11.835 -8.999 -3.539 1.00 0.00 O ATOM 404 CB GLU A 26 9.050 -10.349 -4.330 1.00 0.00 C ATOM 405 CG GLU A 26 9.388 -11.505 -5.260 1.00 0.00 C ATOM 406 CD GLU A 26 8.713 -12.789 -4.884 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.069 -13.391 -3.862 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.823 -13.238 -5.622 1.00 0.00 O ATOM 0 H GLU A 26 8.441 -9.138 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 26 9.438 -8.222 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.347 -10.612 -3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.969 -10.207 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.103 -11.238 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.467 -11.657 -5.261 1.00 0.00 H new ATOM 415 N GLY A 27 11.903 -9.554 -5.691 1.00 0.00 N ATOM 416 CA GLY A 27 13.323 -9.680 -5.695 1.00 0.00 C ATOM 417 C GLY A 27 13.736 -11.105 -5.561 1.00 0.00 C ATOM 418 O GLY A 27 13.421 -11.929 -6.429 1.00 0.00 O ATOM 0 H GLY A 27 11.452 -9.770 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.725 -9.267 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.745 -9.097 -4.876 1.00 0.00 H new ATOM 422 N ALA A 28 14.410 -11.413 -4.493 1.00 0.00 N ATOM 423 CA ALA A 28 14.861 -12.756 -4.252 1.00 0.00 C ATOM 424 C ALA A 28 14.131 -13.344 -3.061 1.00 0.00 C ATOM 425 O ALA A 28 13.162 -14.086 -3.217 1.00 0.00 O ATOM 426 CB ALA A 28 16.374 -12.792 -4.046 1.00 0.00 C ATOM 0 H ALA A 28 14.663 -10.745 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 28 14.634 -13.364 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.692 -13.819 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.872 -12.409 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.639 -12.174 -3.188 1.00 0.00 H new ATOM 432 N THR A 29 14.550 -12.974 -1.883 1.00 0.00 N ATOM 433 CA THR A 29 13.952 -13.486 -0.691 1.00 0.00 C ATOM 434 C THR A 29 13.039 -12.469 -0.019 1.00 0.00 C ATOM 435 O THR A 29 13.046 -11.277 -0.374 1.00 0.00 O ATOM 436 CB THR A 29 15.030 -14.030 0.265 1.00 0.00 C ATOM 437 OG1 THR A 29 16.161 -13.132 0.291 1.00 0.00 O ATOM 438 CG2 THR A 29 15.485 -15.407 -0.183 1.00 0.00 C ATOM 0 H THR A 29 15.311 -12.313 -1.727 1.00 0.00 H new ATOM 0 HA THR A 29 13.309 -14.320 -0.973 1.00 0.00 H new ATOM 0 HB THR A 29 14.603 -14.105 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.843 -13.482 0.902 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.247 -15.779 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.634 -16.089 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.901 -15.343 -1.189 1.00 0.00 H new ATOM 446 N GLU A 30 12.279 -12.950 0.955 1.00 0.00 N ATOM 447 CA GLU A 30 11.275 -12.197 1.695 1.00 0.00 C ATOM 448 C GLU A 30 11.845 -10.909 2.317 1.00 0.00 C ATOM 449 O GLU A 30 11.134 -9.946 2.501 1.00 0.00 O ATOM 450 CB GLU A 30 10.682 -13.117 2.765 1.00 0.00 C ATOM 451 CG GLU A 30 9.586 -12.514 3.626 1.00 0.00 C ATOM 452 CD GLU A 30 9.118 -13.479 4.677 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.306 -14.364 4.369 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.593 -13.410 5.820 1.00 0.00 O ATOM 0 H GLU A 30 12.348 -13.919 1.265 1.00 0.00 H new ATOM 0 HA GLU A 30 10.496 -11.871 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.284 -14.005 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.489 -13.449 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.955 -11.606 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.745 -12.224 2.996 1.00 0.00 H new ATOM 461 N GLU A 31 13.125 -10.896 2.611 1.00 0.00 N ATOM 462 CA GLU A 31 13.757 -9.710 3.158 1.00 0.00 C ATOM 463 C GLU A 31 13.749 -8.538 2.158 1.00 0.00 C ATOM 464 O GLU A 31 13.581 -7.379 2.555 1.00 0.00 O ATOM 465 CB GLU A 31 15.175 -10.013 3.636 1.00 0.00 C ATOM 466 CG GLU A 31 16.078 -10.617 2.580 1.00 0.00 C ATOM 467 CD GLU A 31 17.476 -10.811 3.071 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.727 -11.794 3.804 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.357 -9.981 2.744 1.00 0.00 O ATOM 0 H GLU A 31 13.751 -11.691 2.482 1.00 0.00 H new ATOM 0 HA GLU A 31 13.167 -9.401 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.628 -9.090 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.121 -10.696 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.670 -11.577 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.090 -9.970 1.703 1.00 0.00 H new ATOM 476 N ASP A 32 13.903 -8.846 0.869 1.00 0.00 N ATOM 477 CA ASP A 32 13.930 -7.811 -0.181 1.00 0.00 C ATOM 478 C ASP A 32 12.513 -7.336 -0.408 1.00 0.00 C ATOM 479 O ASP A 32 12.235 -6.142 -0.572 1.00 0.00 O ATOM 480 CB ASP A 32 14.509 -8.376 -1.486 1.00 0.00 C ATOM 481 CG ASP A 32 14.876 -7.305 -2.504 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.007 -6.757 -3.181 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.080 -7.015 -2.658 1.00 0.00 O ATOM 0 H ASP A 32 14.011 -9.799 0.522 1.00 0.00 H new ATOM 0 HA ASP A 32 14.564 -6.983 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.397 -8.965 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.783 -9.055 -1.932 1.00 0.00 H new ATOM 488 N ASP A 33 11.639 -8.296 -0.377 1.00 0.00 N ATOM 489 CA ASP A 33 10.200 -8.121 -0.486 1.00 0.00 C ATOM 490 C ASP A 33 9.689 -7.201 0.616 1.00 0.00 C ATOM 491 O ASP A 33 9.066 -6.162 0.360 1.00 0.00 O ATOM 492 CB ASP A 33 9.582 -9.504 -0.338 1.00 0.00 C ATOM 493 CG ASP A 33 8.086 -9.530 -0.212 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.404 -9.615 -1.232 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.574 -9.578 0.928 1.00 0.00 O ATOM 0 H ASP A 33 11.910 -9.273 -0.270 1.00 0.00 H new ATOM 0 HA ASP A 33 9.935 -7.667 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.868 -10.105 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.012 -9.984 0.541 1.00 0.00 H new ATOM 500 N ASN A 34 10.015 -7.557 1.835 1.00 0.00 N ATOM 501 CA ASN A 34 9.589 -6.837 3.000 1.00 0.00 C ATOM 502 C ASN A 34 10.209 -5.450 3.078 1.00 0.00 C ATOM 503 O ASN A 34 9.586 -4.529 3.578 1.00 0.00 O ATOM 504 CB ASN A 34 9.895 -7.642 4.256 1.00 0.00 C ATOM 505 CG ASN A 34 9.420 -6.984 5.528 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.441 -6.240 5.554 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.095 -7.260 6.593 1.00 0.00 N ATOM 0 H ASN A 34 10.594 -8.370 2.044 1.00 0.00 H new ATOM 0 HA ASN A 34 8.511 -6.695 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.430 -8.624 4.170 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.971 -7.803 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.821 -6.857 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.902 -7.881 6.538 1.00 0.00 H new ATOM 514 N LYS A 35 11.415 -5.265 2.548 1.00 0.00 N ATOM 515 CA LYS A 35 12.010 -3.937 2.607 1.00 0.00 C ATOM 516 C LYS A 35 11.286 -2.963 1.678 1.00 0.00 C ATOM 517 O LYS A 35 11.429 -1.750 1.808 1.00 0.00 O ATOM 518 CB LYS A 35 13.537 -3.929 2.421 1.00 0.00 C ATOM 519 CG LYS A 35 14.058 -4.293 1.051 1.00 0.00 C ATOM 520 CD LYS A 35 15.572 -4.425 1.080 1.00 0.00 C ATOM 521 CE LYS A 35 16.148 -4.748 -0.284 1.00 0.00 C ATOM 522 NZ LYS A 35 17.588 -5.066 -0.207 1.00 0.00 N ATOM 0 H LYS A 35 11.977 -5.984 2.092 1.00 0.00 H new ATOM 0 HA LYS A 35 11.864 -3.580 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.904 -2.934 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.971 -4.620 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.611 -5.231 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.766 -3.530 0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.008 -3.495 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.853 -5.208 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.611 -5.593 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.998 -3.900 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.947 -5.282 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.103 -4.250 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.729 -5.890 0.411 1.00 0.00 H new ATOM 536 N LEU A 36 10.513 -3.503 0.737 1.00 0.00 N ATOM 537 CA LEU A 36 9.611 -2.681 -0.049 1.00 0.00 C ATOM 538 C LEU A 36 8.445 -2.326 0.828 1.00 0.00 C ATOM 539 O LEU A 36 8.144 -1.158 1.029 1.00 0.00 O ATOM 540 CB LEU A 36 9.094 -3.405 -1.303 1.00 0.00 C ATOM 541 CG LEU A 36 10.126 -3.726 -2.367 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.495 -4.538 -3.489 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.711 -2.437 -2.911 1.00 0.00 C ATOM 0 H LEU A 36 10.497 -4.496 0.506 1.00 0.00 H new ATOM 0 HA LEU A 36 10.152 -1.799 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.624 -4.337 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.315 -2.791 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 36 10.924 -4.321 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.248 -4.761 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.099 -5.470 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.685 -3.966 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.453 -2.668 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.916 -1.832 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.185 -1.883 -2.101 1.00 0.00 H new ATOM 555 N VAL A 37 7.836 -3.362 1.403 1.00 0.00 N ATOM 556 CA VAL A 37 6.676 -3.226 2.293 1.00 0.00 C ATOM 557 C VAL A 37 6.937 -2.168 3.360 1.00 0.00 C ATOM 558 O VAL A 37 6.132 -1.288 3.551 1.00 0.00 O ATOM 559 CB VAL A 37 6.332 -4.569 3.004 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.084 -4.424 3.856 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.159 -5.704 2.007 1.00 0.00 C ATOM 0 H VAL A 37 8.133 -4.328 1.265 1.00 0.00 H new ATOM 0 HA VAL A 37 5.834 -2.929 1.668 1.00 0.00 H new ATOM 0 HB VAL A 37 7.173 -4.817 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.863 -5.374 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.248 -3.658 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.244 -4.136 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.920 -6.624 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.349 -5.463 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.084 -5.840 1.446 1.00 0.00 H new ATOM 571 N ARG A 38 8.099 -2.246 3.996 1.00 0.00 N ATOM 572 CA ARG A 38 8.487 -1.316 5.064 1.00 0.00 C ATOM 573 C ARG A 38 8.396 0.152 4.649 1.00 0.00 C ATOM 574 O ARG A 38 7.856 0.973 5.396 1.00 0.00 O ATOM 575 CB ARG A 38 9.901 -1.587 5.549 1.00 0.00 C ATOM 576 CG ARG A 38 10.118 -2.934 6.183 1.00 0.00 C ATOM 577 CD ARG A 38 11.563 -3.079 6.582 1.00 0.00 C ATOM 578 NE ARG A 38 11.873 -4.398 7.130 1.00 0.00 N ATOM 579 CZ ARG A 38 13.107 -4.938 7.160 1.00 0.00 C ATOM 580 NH1 ARG A 38 14.158 -4.227 6.747 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.291 -6.169 7.623 1.00 0.00 N ATOM 0 H ARG A 38 8.804 -2.954 3.790 1.00 0.00 H new ATOM 0 HA ARG A 38 7.770 -1.492 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.582 -1.488 4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.174 -0.817 6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.476 -3.043 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.842 -3.724 5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.195 -2.895 5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.808 -2.317 7.322 1.00 0.00 H new ATOM 0 HE ARG A 38 11.104 -4.946 7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.028 -3.274 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.092 -4.637 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.495 -6.712 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.228 -6.572 7.643 1.00 0.00 H new ATOM 595 N GLU A 39 8.898 0.487 3.456 1.00 0.00 N ATOM 596 CA GLU A 39 8.920 1.885 3.045 1.00 0.00 C ATOM 597 C GLU A 39 7.508 2.367 2.759 1.00 0.00 C ATOM 598 O GLU A 39 7.133 3.497 3.107 1.00 0.00 O ATOM 599 CB GLU A 39 9.851 2.148 1.833 1.00 0.00 C ATOM 600 CG GLU A 39 9.359 1.640 0.489 1.00 0.00 C ATOM 601 CD GLU A 39 10.245 2.085 -0.634 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.110 3.240 -1.091 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.117 1.306 -1.068 1.00 0.00 O ATOM 0 H GLU A 39 9.283 -0.172 2.779 1.00 0.00 H new ATOM 0 HA GLU A 39 9.336 2.455 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.016 3.223 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.819 1.691 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.314 0.551 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.344 1.998 0.315 1.00 0.00 H new ATOM 610 N PHE A 40 6.720 1.488 2.177 1.00 0.00 N ATOM 611 CA PHE A 40 5.365 1.791 1.835 1.00 0.00 C ATOM 612 C PHE A 40 4.499 1.856 3.075 1.00 0.00 C ATOM 613 O PHE A 40 3.700 2.762 3.222 1.00 0.00 O ATOM 614 CB PHE A 40 4.826 0.804 0.810 1.00 0.00 C ATOM 615 CG PHE A 40 5.514 0.883 -0.540 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.440 2.035 -1.305 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.234 -0.189 -1.035 1.00 0.00 C ATOM 618 CE1 PHE A 40 6.067 2.109 -2.534 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.863 -0.121 -2.262 1.00 0.00 C ATOM 620 CZ PHE A 40 6.781 1.030 -3.011 1.00 0.00 C ATOM 0 H PHE A 40 7.012 0.542 1.931 1.00 0.00 H new ATOM 0 HA PHE A 40 5.339 2.777 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.933 -0.207 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.759 0.982 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.886 2.886 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.305 -1.095 -0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.998 3.013 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.418 -0.970 -2.633 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.274 1.088 -3.970 1.00 0.00 H new ATOM 630 N GLU A 41 4.722 0.938 3.989 1.00 0.00 N ATOM 631 CA GLU A 41 4.017 0.896 5.251 1.00 0.00 C ATOM 632 C GLU A 41 4.303 2.065 6.158 1.00 0.00 C ATOM 633 O GLU A 41 3.583 2.311 7.128 1.00 0.00 O ATOM 634 CB GLU A 41 4.138 -0.455 5.941 1.00 0.00 C ATOM 635 CG GLU A 41 3.148 -1.417 5.336 1.00 0.00 C ATOM 636 CD GLU A 41 1.801 -0.770 5.363 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.261 -0.626 6.472 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.281 -0.368 4.321 1.00 0.00 O ATOM 0 H GLU A 41 5.406 0.190 3.875 1.00 0.00 H new ATOM 0 HA GLU A 41 2.963 1.012 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.151 -0.842 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.951 -0.348 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.432 -1.663 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.133 -2.352 5.897 1.00 0.00 H new ATOM 645 N ARG A 42 5.355 2.776 5.872 1.00 0.00 N ATOM 646 CA ARG A 42 5.640 3.981 6.600 1.00 0.00 C ATOM 647 C ARG A 42 4.855 5.117 5.999 1.00 0.00 C ATOM 648 O ARG A 42 4.378 5.994 6.698 1.00 0.00 O ATOM 649 CB ARG A 42 7.106 4.306 6.560 1.00 0.00 C ATOM 650 CG ARG A 42 7.458 5.397 7.532 1.00 0.00 C ATOM 651 CD ARG A 42 8.947 5.650 7.621 1.00 0.00 C ATOM 652 NE ARG A 42 9.487 6.286 6.420 1.00 0.00 N ATOM 653 CZ ARG A 42 10.770 6.618 6.236 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.708 6.197 7.091 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.122 7.335 5.166 1.00 0.00 N ATOM 0 H ARG A 42 6.029 2.544 5.142 1.00 0.00 H new ATOM 0 HA ARG A 42 5.354 3.834 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.684 3.411 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.384 4.613 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.956 6.317 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.080 5.132 8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.152 6.282 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.462 4.704 7.789 1.00 0.00 H new ATOM 0 HE ARG A 42 8.835 6.493 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.447 5.619 7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.684 6.454 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.414 7.628 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.099 7.590 5.022 1.00 0.00 H new ATOM 669 N LEU A 43 4.727 5.077 4.699 1.00 0.00 N ATOM 670 CA LEU A 43 3.965 6.072 3.961 1.00 0.00 C ATOM 671 C LEU A 43 2.490 5.969 4.349 1.00 0.00 C ATOM 672 O LEU A 43 1.792 6.980 4.522 1.00 0.00 O ATOM 673 CB LEU A 43 4.104 5.831 2.450 1.00 0.00 C ATOM 674 CG LEU A 43 5.516 5.851 1.877 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.490 5.380 0.443 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.087 7.252 1.937 1.00 0.00 C ATOM 0 H LEU A 43 5.146 4.355 4.113 1.00 0.00 H new ATOM 0 HA LEU A 43 4.348 7.063 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.657 4.864 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.516 6.587 1.930 1.00 0.00 H new ATOM 0 HG LEU A 43 6.144 5.186 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.501 5.396 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.098 4.364 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.852 6.040 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.096 7.252 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.458 7.927 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.119 7.588 2.973 1.00 0.00 H new ATOM 688 N THR A 44 2.045 4.751 4.530 1.00 0.00 N ATOM 689 CA THR A 44 0.660 4.471 4.827 1.00 0.00 C ATOM 690 C THR A 44 0.403 4.670 6.297 1.00 0.00 C ATOM 691 O THR A 44 -0.651 5.208 6.696 1.00 0.00 O ATOM 692 CB THR A 44 0.321 3.008 4.454 1.00 0.00 C ATOM 693 OG1 THR A 44 1.167 2.149 5.189 1.00 0.00 O ATOM 694 CG2 THR A 44 0.562 2.770 2.994 1.00 0.00 C ATOM 0 H THR A 44 2.635 3.921 4.476 1.00 0.00 H new ATOM 0 HA THR A 44 0.036 5.150 4.246 1.00 0.00 H new ATOM 0 HB THR A 44 -0.728 2.817 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.034 1.225 4.890 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.319 1.736 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.067 3.440 2.407 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.610 2.961 2.762 1.00 0.00 H new ATOM 702 N GLU A 45 1.395 4.236 7.104 1.00 0.00 N ATOM 703 CA GLU A 45 1.322 4.189 8.556 1.00 0.00 C ATOM 704 C GLU A 45 0.225 3.217 8.913 1.00 0.00 C ATOM 705 O GLU A 45 -0.359 3.260 10.011 1.00 0.00 O ATOM 706 CB GLU A 45 1.048 5.572 9.158 1.00 0.00 C ATOM 707 CG GLU A 45 2.046 6.619 8.743 1.00 0.00 C ATOM 708 CD GLU A 45 1.956 7.891 9.533 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.973 8.636 9.382 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.905 8.194 10.309 1.00 0.00 O ATOM 0 H GLU A 45 2.288 3.902 6.740 1.00 0.00 H new ATOM 0 HA GLU A 45 2.278 3.865 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.050 5.896 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.049 5.492 10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.051 6.210 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.901 6.847 7.687 1.00 0.00 H new ATOM 717 N HIS A 46 -0.009 2.292 7.998 1.00 0.00 N ATOM 718 CA HIS A 46 -1.090 1.397 8.106 1.00 0.00 C ATOM 719 C HIS A 46 -0.749 0.270 9.112 1.00 0.00 C ATOM 720 O HIS A 46 0.353 -0.250 9.146 1.00 0.00 O ATOM 721 CB HIS A 46 -1.545 0.879 6.702 1.00 0.00 C ATOM 722 CG HIS A 46 -2.851 0.156 6.740 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.991 -1.116 7.199 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.099 0.620 6.552 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.289 -1.368 7.323 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.008 -0.352 6.928 1.00 0.00 N ATOM 0 H HIS A 46 0.563 2.160 7.164 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.956 1.922 8.509 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.624 1.724 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.780 0.214 6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.352 1.597 6.168 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.697 -2.293 7.702 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.026 -0.289 6.902 1.00 0.00 H new ATOM 734 N PRO A 47 -1.683 -0.037 9.986 1.00 0.00 N ATOM 735 CA PRO A 47 -1.520 -1.024 11.051 1.00 0.00 C ATOM 736 C PRO A 47 -1.263 -2.414 10.562 1.00 0.00 C ATOM 737 O PRO A 47 -0.333 -3.082 10.986 1.00 0.00 O ATOM 738 CB PRO A 47 -2.870 -1.002 11.743 1.00 0.00 C ATOM 739 CG PRO A 47 -3.791 -0.243 10.887 1.00 0.00 C ATOM 740 CD PRO A 47 -2.974 0.603 10.038 1.00 0.00 C ATOM 0 HA PRO A 47 -0.660 -0.776 11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.238 -2.016 11.898 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.790 -0.538 12.726 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.404 -0.916 10.287 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.473 0.357 11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.407 0.695 9.042 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.896 1.611 10.446 1.00 0.00 H new ATOM 748 N ASP A 48 -2.050 -2.810 9.632 1.00 0.00 N ATOM 749 CA ASP A 48 -2.074 -4.152 9.173 1.00 0.00 C ATOM 750 C ASP A 48 -1.601 -4.144 7.774 1.00 0.00 C ATOM 751 O ASP A 48 -1.888 -5.030 7.019 1.00 0.00 O ATOM 752 CB ASP A 48 -3.505 -4.721 9.206 1.00 0.00 C ATOM 753 CG ASP A 48 -4.127 -4.733 10.572 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.980 -5.735 11.312 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.788 -3.747 10.938 1.00 0.00 O ATOM 0 H ASP A 48 -2.712 -2.197 9.156 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.445 -4.771 9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.134 -4.134 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.489 -5.739 8.817 1.00 0.00 H new ATOM 760 N GLY A 49 -0.878 -3.103 7.438 1.00 0.00 N ATOM 761 CA GLY A 49 -0.407 -2.913 6.054 1.00 0.00 C ATOM 762 C GLY A 49 0.458 -3.992 5.580 1.00 0.00 C ATOM 763 O GLY A 49 0.266 -4.507 4.481 1.00 0.00 O ATOM 0 H GLY A 49 -0.595 -2.369 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.270 -2.832 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.134 -1.969 5.989 1.00 0.00 H new ATOM 767 N SER A 50 1.388 -4.361 6.382 1.00 0.00 N ATOM 768 CA SER A 50 2.211 -5.488 6.038 1.00 0.00 C ATOM 769 C SER A 50 1.349 -6.756 5.958 1.00 0.00 C ATOM 770 O SER A 50 1.450 -7.522 5.009 1.00 0.00 O ATOM 771 CB SER A 50 3.399 -5.619 6.989 1.00 0.00 C ATOM 772 OG SER A 50 3.009 -5.384 8.339 1.00 0.00 O ATOM 0 H SER A 50 1.606 -3.914 7.273 1.00 0.00 H new ATOM 0 HA SER A 50 2.645 -5.332 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.830 -6.616 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.176 -4.910 6.704 1.00 0.00 H new ATOM 0 HG SER A 50 3.789 -5.476 8.926 1.00 0.00 H new ATOM 778 N ASP A 51 0.420 -6.894 6.901 1.00 0.00 N ATOM 779 CA ASP A 51 -0.513 -8.024 6.928 1.00 0.00 C ATOM 780 C ASP A 51 -1.301 -8.103 5.634 1.00 0.00 C ATOM 781 O ASP A 51 -1.479 -9.167 5.108 1.00 0.00 O ATOM 782 CB ASP A 51 -1.499 -7.926 8.104 1.00 0.00 C ATOM 783 CG ASP A 51 -0.839 -7.985 9.450 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.651 -9.094 9.980 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.474 -6.925 10.001 1.00 0.00 O ATOM 0 H ASP A 51 0.291 -6.231 7.665 1.00 0.00 H new ATOM 0 HA ASP A 51 0.090 -8.924 7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.056 -6.993 8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.223 -8.737 8.028 1.00 0.00 H new ATOM 790 N LEU A 52 -1.696 -6.939 5.100 1.00 0.00 N ATOM 791 CA LEU A 52 -2.518 -6.809 3.877 1.00 0.00 C ATOM 792 C LEU A 52 -1.977 -7.592 2.709 1.00 0.00 C ATOM 793 O LEU A 52 -2.737 -8.209 1.947 1.00 0.00 O ATOM 794 CB LEU A 52 -2.661 -5.334 3.441 1.00 0.00 C ATOM 795 CG LEU A 52 -3.321 -4.388 4.433 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.448 -3.001 3.834 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.674 -4.914 4.864 1.00 0.00 C ATOM 0 H LEU A 52 -1.450 -6.039 5.511 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.490 -7.220 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.667 -4.949 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.233 -5.307 2.514 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.689 -4.325 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.922 -2.335 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.458 -2.620 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.056 -3.049 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.125 -4.220 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.320 -5.013 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.552 -5.888 5.338 1.00 0.00 H new ATOM 809 N ILE A 53 -0.691 -7.597 2.600 1.00 0.00 N ATOM 810 CA ILE A 53 -0.017 -8.175 1.461 1.00 0.00 C ATOM 811 C ILE A 53 0.184 -9.667 1.664 1.00 0.00 C ATOM 812 O ILE A 53 0.021 -10.478 0.740 1.00 0.00 O ATOM 813 CB ILE A 53 1.354 -7.486 1.294 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.154 -5.968 1.218 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.090 -8.001 0.056 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.429 -5.181 1.247 1.00 0.00 C ATOM 0 H ILE A 53 -0.063 -7.200 3.299 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.624 -8.026 0.568 1.00 0.00 H new ATOM 0 HB ILE A 53 1.973 -7.725 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.613 -5.729 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.526 -5.653 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.052 -7.495 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.252 -9.075 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.492 -7.800 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.201 -4.117 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.963 -5.388 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.051 -5.465 0.398 1.00 0.00 H new ATOM 828 N TYR A 54 0.470 -10.015 2.877 1.00 0.00 N ATOM 829 CA TYR A 54 0.828 -11.360 3.226 1.00 0.00 C ATOM 830 C TYR A 54 -0.390 -12.250 3.542 1.00 0.00 C ATOM 831 O TYR A 54 -0.466 -13.386 3.077 1.00 0.00 O ATOM 832 CB TYR A 54 1.799 -11.341 4.411 1.00 0.00 C ATOM 833 CG TYR A 54 3.182 -10.752 4.126 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.371 -9.390 4.096 1.00 0.00 C ATOM 835 CD2 TYR A 54 4.291 -11.563 3.914 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.593 -8.825 3.863 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.542 -11.007 3.682 1.00 0.00 C ATOM 838 CZ TYR A 54 5.681 -9.632 3.656 1.00 0.00 C ATOM 839 OH TYR A 54 6.913 -9.060 3.447 1.00 0.00 O ATOM 0 H TYR A 54 0.463 -9.369 3.666 1.00 0.00 H new ATOM 0 HA TYR A 54 1.310 -11.802 2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.343 -10.773 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.926 -12.363 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.522 -8.743 4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.178 -12.637 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.701 -7.751 3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.400 -11.644 3.523 1.00 0.00 H new ATOM 0 HH TYR A 54 7.142 -9.115 2.496 1.00 0.00 H new ATOM 849 N TYR A 55 -1.335 -11.741 4.310 1.00 0.00 N ATOM 850 CA TYR A 55 -2.453 -12.536 4.771 1.00 0.00 C ATOM 851 C TYR A 55 -3.754 -11.746 4.632 1.00 0.00 C ATOM 852 O TYR A 55 -3.793 -10.550 4.906 1.00 0.00 O ATOM 853 CB TYR A 55 -2.274 -12.925 6.257 1.00 0.00 C ATOM 854 CG TYR A 55 -0.971 -13.624 6.589 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.790 -14.976 6.331 1.00 0.00 C ATOM 856 CD2 TYR A 55 0.078 -12.920 7.170 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.402 -15.606 6.641 1.00 0.00 C ATOM 858 CE2 TYR A 55 1.269 -13.541 7.480 1.00 0.00 C ATOM 859 CZ TYR A 55 1.428 -14.881 7.215 1.00 0.00 C ATOM 860 OH TYR A 55 2.619 -15.500 7.529 1.00 0.00 O ATOM 0 H TYR A 55 -1.348 -10.772 4.629 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.494 -13.438 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.348 -12.022 6.864 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.100 -13.574 6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.591 -15.544 5.882 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.043 -11.868 7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.530 -16.659 6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.074 -12.978 7.929 1.00 0.00 H new ATOM 0 HH TYR A 55 3.233 -14.846 7.924 1.00 0.00 H new ATOM 870 N PRO A 56 -4.818 -12.389 4.182 1.00 0.00 N ATOM 871 CA PRO A 56 -6.141 -11.768 4.090 1.00 0.00 C ATOM 872 C PRO A 56 -6.698 -11.426 5.484 1.00 0.00 C ATOM 873 O PRO A 56 -6.473 -12.162 6.453 1.00 0.00 O ATOM 874 CB PRO A 56 -7.000 -12.854 3.426 1.00 0.00 C ATOM 875 CG PRO A 56 -6.278 -14.129 3.697 1.00 0.00 C ATOM 876 CD PRO A 56 -4.823 -13.776 3.707 1.00 0.00 C ATOM 0 HA PRO A 56 -6.123 -10.829 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.006 -12.873 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.103 -12.677 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.584 -14.557 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.495 -14.873 2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.255 -14.430 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.381 -13.863 2.715 1.00 0.00 H new ATOM 884 N ARG A 57 -7.379 -10.305 5.593 1.00 0.00 N ATOM 885 CA ARG A 57 -7.975 -9.906 6.847 1.00 0.00 C ATOM 886 C ARG A 57 -9.357 -10.510 7.019 1.00 0.00 C ATOM 887 O ARG A 57 -9.486 -11.711 7.269 1.00 0.00 O ATOM 888 CB ARG A 57 -7.961 -8.377 7.046 1.00 0.00 C ATOM 889 CG ARG A 57 -6.596 -7.803 7.398 1.00 0.00 C ATOM 890 CD ARG A 57 -6.668 -6.301 7.624 1.00 0.00 C ATOM 891 NE ARG A 57 -7.396 -5.945 8.851 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.277 -4.936 8.966 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.746 -4.321 7.883 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.737 -4.594 10.164 1.00 0.00 N ATOM 0 H ARG A 57 -7.533 -9.653 4.824 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.352 -10.311 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.318 -7.900 6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.665 -8.119 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.215 -8.290 8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.891 -8.018 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.657 -5.897 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.155 -5.832 6.769 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.218 -6.509 9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.437 -4.614 6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.414 -3.556 7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.422 -5.096 10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.405 -3.829 10.254 1.00 0.00 H new ATOM 908 N ASP A 58 -10.367 -9.723 6.861 1.00 0.00 N ATOM 909 CA ASP A 58 -11.730 -10.225 6.963 1.00 0.00 C ATOM 910 C ASP A 58 -12.478 -10.020 5.673 1.00 0.00 C ATOM 911 O ASP A 58 -12.958 -10.967 5.065 1.00 0.00 O ATOM 912 CB ASP A 58 -12.493 -9.564 8.117 1.00 0.00 C ATOM 913 CG ASP A 58 -13.952 -9.992 8.172 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.273 -11.009 8.822 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.805 -9.309 7.575 1.00 0.00 O ATOM 0 H ASP A 58 -10.293 -8.726 6.660 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.661 -11.293 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.008 -9.816 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.439 -8.481 8.010 1.00 0.00 H new ATOM 920 N ASP A 59 -12.551 -8.782 5.261 1.00 0.00 N ATOM 921 CA ASP A 59 -13.319 -8.385 4.086 1.00 0.00 C ATOM 922 C ASP A 59 -12.398 -7.840 3.014 1.00 0.00 C ATOM 923 O ASP A 59 -12.852 -7.324 1.995 1.00 0.00 O ATOM 924 CB ASP A 59 -14.342 -7.293 4.473 1.00 0.00 C ATOM 925 CG ASP A 59 -13.689 -5.978 4.896 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.193 -5.874 6.046 1.00 0.00 O ATOM 927 OD2 ASP A 59 -13.654 -5.027 4.096 1.00 0.00 O ATOM 0 H ASP A 59 -12.080 -8.007 5.727 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.841 -9.262 3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.003 -7.107 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.965 -7.661 5.289 1.00 0.00 H new ATOM 932 N ARG A 60 -11.113 -7.966 3.238 1.00 0.00 N ATOM 933 CA ARG A 60 -10.135 -7.437 2.358 1.00 0.00 C ATOM 934 C ARG A 60 -10.039 -8.277 1.119 1.00 0.00 C ATOM 935 O ARG A 60 -9.784 -9.482 1.175 1.00 0.00 O ATOM 936 CB ARG A 60 -8.818 -7.373 3.096 1.00 0.00 C ATOM 937 CG ARG A 60 -7.760 -6.477 2.509 1.00 0.00 C ATOM 938 CD ARG A 60 -7.085 -7.032 1.255 1.00 0.00 C ATOM 939 NE ARG A 60 -6.006 -8.011 1.538 1.00 0.00 N ATOM 940 CZ ARG A 60 -5.951 -9.276 1.100 1.00 0.00 C ATOM 941 NH1 ARG A 60 -7.067 -9.957 0.863 1.00 0.00 N ATOM 942 NH2 ARG A 60 -4.781 -9.902 1.032 1.00 0.00 N ATOM 0 H ARG A 60 -10.726 -8.447 4.050 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.412 -6.432 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.015 -7.045 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.413 -8.383 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.210 -5.514 2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.997 -6.292 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.839 -7.508 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.670 -6.204 0.681 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.233 -7.690 2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.975 -9.517 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.016 -10.920 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.927 -9.420 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.736 -10.865 0.699 1.00 0.00 H new ATOM 956 N GLU A 61 -10.193 -7.629 0.037 1.00 0.00 N ATOM 957 CA GLU A 61 -10.136 -8.258 -1.270 1.00 0.00 C ATOM 958 C GLU A 61 -8.690 -8.489 -1.641 1.00 0.00 C ATOM 959 O GLU A 61 -7.881 -7.552 -1.628 1.00 0.00 O ATOM 960 CB GLU A 61 -10.794 -7.381 -2.324 1.00 0.00 C ATOM 961 CG GLU A 61 -10.826 -8.000 -3.711 1.00 0.00 C ATOM 962 CD GLU A 61 -11.598 -9.290 -3.745 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.826 -9.246 -3.945 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.990 -10.374 -3.582 1.00 0.00 O ATOM 0 H GLU A 61 -10.367 -6.625 0.005 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.673 -9.206 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.815 -7.160 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.263 -6.430 -2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.273 -7.294 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.806 -8.181 -4.049 1.00 0.00 H new ATOM 971 N ASP A 62 -8.356 -9.707 -1.971 1.00 0.00 N ATOM 972 CA ASP A 62 -6.988 -10.044 -2.284 1.00 0.00 C ATOM 973 C ASP A 62 -6.703 -9.688 -3.716 1.00 0.00 C ATOM 974 O ASP A 62 -6.823 -10.505 -4.633 1.00 0.00 O ATOM 975 CB ASP A 62 -6.677 -11.521 -2.007 1.00 0.00 C ATOM 976 CG ASP A 62 -5.185 -11.816 -1.922 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.512 -11.919 -2.968 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.670 -11.966 -0.779 1.00 0.00 O ATOM 0 H ASP A 62 -9.012 -10.486 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.335 -9.465 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.153 -11.816 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.117 -12.132 -2.795 1.00 0.00 H new ATOM 983 N SER A 63 -6.493 -8.442 -3.920 1.00 0.00 N ATOM 984 CA SER A 63 -6.147 -7.912 -5.188 1.00 0.00 C ATOM 985 C SER A 63 -5.260 -6.727 -4.925 1.00 0.00 C ATOM 986 O SER A 63 -5.387 -6.125 -3.851 1.00 0.00 O ATOM 987 CB SER A 63 -7.424 -7.449 -5.910 1.00 0.00 C ATOM 988 OG SER A 63 -8.367 -8.505 -6.043 1.00 0.00 O ATOM 0 H SER A 63 -6.559 -7.737 -3.185 1.00 0.00 H new ATOM 0 HA SER A 63 -5.645 -8.653 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.876 -6.625 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.165 -7.066 -6.897 1.00 0.00 H new ATOM 0 HG SER A 63 -9.166 -8.174 -6.505 1.00 0.00 H new ATOM 994 N PRO A 64 -4.315 -6.406 -5.828 1.00 0.00 N ATOM 995 CA PRO A 64 -3.534 -5.177 -5.731 1.00 0.00 C ATOM 996 C PRO A 64 -4.473 -3.953 -5.491 1.00 0.00 C ATOM 997 O PRO A 64 -4.171 -3.085 -4.676 1.00 0.00 O ATOM 998 CB PRO A 64 -2.787 -5.121 -7.090 1.00 0.00 C ATOM 999 CG PRO A 64 -2.660 -6.549 -7.496 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.872 -7.261 -6.955 1.00 0.00 C ATOM 0 HA PRO A 64 -2.838 -5.154 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.345 -4.545 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.811 -4.647 -6.989 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.610 -6.640 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.744 -6.985 -7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.650 -7.358 -7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.627 -8.269 -6.619 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.639 -3.944 -6.164 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.684 -2.937 -5.916 1.00 0.00 C ATOM 1010 C GLU A 65 -7.214 -3.022 -4.481 1.00 0.00 C ATOM 1011 O GLU A 65 -7.290 -2.026 -3.785 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.873 -3.092 -6.883 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.627 -2.633 -8.310 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.820 -2.864 -9.201 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.832 -2.144 -9.058 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.772 -3.772 -10.059 1.00 0.00 O ATOM 0 H GLU A 65 -5.880 -4.625 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.213 -1.967 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.166 -4.142 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.719 -2.533 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.377 -1.572 -8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.766 -3.163 -8.716 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.533 -4.228 -4.049 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.152 -4.446 -2.743 1.00 0.00 C ATOM 1025 C GLY A 66 -7.250 -4.122 -1.577 1.00 0.00 C ATOM 1026 O GLY A 66 -7.708 -3.623 -0.548 1.00 0.00 O ATOM 0 H GLY A 66 -7.374 -5.082 -4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.053 -3.837 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.465 -5.488 -2.669 1.00 0.00 H new ATOM 1030 N ILE A 67 -5.979 -4.400 -1.730 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.003 -4.088 -0.708 1.00 0.00 C ATOM 1032 C ILE A 67 -4.881 -2.573 -0.561 1.00 0.00 C ATOM 1033 O ILE A 67 -4.857 -2.042 0.557 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.646 -4.767 -1.016 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.819 -6.299 -0.903 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.538 -4.253 -0.093 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.607 -7.115 -1.285 1.00 0.00 C ATOM 0 H ILE A 67 -5.590 -4.846 -2.561 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.337 -4.488 0.249 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.339 -4.516 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.092 -6.543 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.654 -6.601 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.600 -4.751 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.423 -3.177 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.801 -4.464 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.832 -8.175 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.342 -6.909 -2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.771 -6.850 -0.638 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.865 -1.888 -1.695 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.890 -0.440 -1.716 1.00 0.00 C ATOM 1051 C VAL A 68 -6.169 0.052 -1.095 1.00 0.00 C ATOM 1052 O VAL A 68 -6.150 0.922 -0.244 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.778 0.129 -3.157 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.076 1.641 -3.201 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.399 -0.114 -3.669 1.00 0.00 C ATOM 0 H VAL A 68 -4.835 -2.320 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.027 -0.092 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.516 -0.376 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.987 2.000 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.088 1.823 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.364 2.171 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.311 0.282 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.677 0.383 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.199 -1.185 -3.681 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.263 -0.557 -1.497 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.577 -0.169 -1.071 1.00 0.00 C ATOM 1067 C LYS A 69 -8.748 -0.269 0.436 1.00 0.00 C ATOM 1068 O LYS A 69 -9.447 0.534 1.015 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.647 -0.955 -1.808 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.029 -0.349 -1.627 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.906 -0.547 -2.831 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.396 0.262 -4.031 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.358 0.232 -5.160 1.00 0.00 N ATOM 0 H LYS A 69 -7.257 -1.349 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.699 0.883 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.403 -0.990 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.653 -1.984 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.507 -0.796 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.931 0.717 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.938 -1.605 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.926 -0.246 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.223 1.294 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.437 -0.139 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.980 0.789 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.504 -0.751 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.265 0.637 -4.854 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.102 -1.233 1.066 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.150 -1.342 2.519 1.00 0.00 C ATOM 1089 C GLU A 70 -7.555 -0.056 3.136 1.00 0.00 C ATOM 1090 O GLU A 70 -8.202 0.616 3.931 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.370 -2.566 2.992 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.547 -2.882 4.471 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.904 -3.459 4.813 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.925 -2.728 4.785 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.978 -4.652 5.179 1.00 0.00 O ATOM 0 H GLU A 70 -7.541 -1.948 0.602 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.185 -1.459 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.682 -3.431 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.311 -2.409 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.775 -3.587 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.394 -1.971 5.049 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.345 0.299 2.687 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.652 1.520 3.116 1.00 0.00 C ATOM 1104 C ILE A 71 -6.458 2.769 2.729 1.00 0.00 C ATOM 1105 O ILE A 71 -6.557 3.742 3.489 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.246 1.579 2.454 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.373 0.497 3.057 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.589 2.952 2.633 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.093 0.294 2.349 1.00 0.00 C ATOM 0 H ILE A 71 -5.817 -0.255 2.013 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.548 1.498 4.201 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.361 1.415 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.165 0.750 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.927 -0.442 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.609 2.951 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.215 3.717 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.475 3.165 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.526 -0.496 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.290 0.009 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.517 1.219 2.367 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.031 2.703 1.548 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.815 3.760 0.940 1.00 0.00 C ATOM 1123 C LYS A 72 -9.016 4.062 1.829 1.00 0.00 C ATOM 1124 O LYS A 72 -9.150 5.184 2.313 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.218 3.273 -0.501 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.714 4.275 -1.588 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.226 4.504 -1.628 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.720 5.308 -0.478 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.193 5.434 -0.466 1.00 0.00 N ATOM 0 H LYS A 72 -6.961 1.875 0.957 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.257 4.692 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.351 2.758 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.002 2.527 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.223 5.234 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.392 3.914 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.487 5.010 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.734 3.540 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.391 4.846 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.274 6.302 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.479 6.098 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.519 5.790 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.620 4.503 -0.284 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.848 3.053 2.075 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.066 3.218 2.874 1.00 0.00 C ATOM 1145 C GLU A 73 -10.718 3.661 4.288 1.00 0.00 C ATOM 1146 O GLU A 73 -11.298 4.599 4.810 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.874 1.905 2.935 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.335 1.355 1.584 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.241 2.290 0.835 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.415 2.419 1.206 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.803 2.899 -0.153 1.00 0.00 O ATOM 0 H GLU A 73 -9.702 2.104 1.731 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.675 3.983 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.266 1.147 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.752 2.067 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.460 1.140 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.853 0.409 1.743 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.726 3.005 4.857 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.265 3.253 6.213 1.00 0.00 C ATOM 1160 C TRP A 74 -8.789 4.706 6.398 1.00 0.00 C ATOM 1161 O TRP A 74 -9.353 5.434 7.213 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.162 2.240 6.526 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.580 2.258 7.901 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.096 1.697 9.031 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.327 2.816 8.266 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.222 1.873 10.075 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.131 2.562 9.624 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.359 3.507 7.560 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.992 2.974 10.289 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.219 3.934 8.197 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.039 3.655 9.565 1.00 0.00 C ATOM 0 H TRP A 74 -9.205 2.268 4.381 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.088 3.125 6.916 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.560 1.242 6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.351 2.396 5.815 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.048 1.191 9.095 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.363 1.544 11.030 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.499 3.711 6.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.854 2.769 11.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.465 4.481 7.651 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.135 3.982 10.057 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.825 5.166 5.584 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.276 6.524 5.766 1.00 0.00 C ATOM 1184 C ARG A 75 -8.316 7.578 5.483 1.00 0.00 C ATOM 1185 O ARG A 75 -8.363 8.612 6.152 1.00 0.00 O ATOM 1186 CB ARG A 75 -6.003 6.758 4.937 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.862 5.864 5.370 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.580 6.097 4.617 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.014 7.437 4.783 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.789 8.307 3.785 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.341 8.132 2.576 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.030 9.369 4.009 1.00 0.00 N ATOM 0 H ARG A 75 -7.417 4.637 4.813 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.988 6.609 6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.221 6.581 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.699 7.801 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.679 6.016 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.161 4.824 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.844 5.362 4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.759 5.921 3.556 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.772 7.732 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.943 7.327 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.159 8.803 1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.623 9.519 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.852 10.036 3.258 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.188 7.286 4.552 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.235 8.204 4.187 1.00 0.00 C ATOM 1208 C ALA A 76 -11.320 8.275 5.262 1.00 0.00 C ATOM 1209 O ALA A 76 -11.982 9.303 5.408 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.821 7.831 2.843 1.00 0.00 C ATOM 0 H ALA A 76 -9.192 6.410 4.029 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.796 9.199 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.611 8.535 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.040 7.865 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.235 6.824 2.893 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.459 7.208 6.040 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.475 7.140 7.071 1.00 0.00 C ATOM 1218 C ALA A 77 -11.956 7.822 8.293 1.00 0.00 C ATOM 1219 O ALA A 77 -12.679 8.498 9.009 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.837 5.692 7.385 1.00 0.00 C ATOM 0 H ALA A 77 -10.874 6.375 5.972 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.380 7.637 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.601 5.668 8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.219 5.209 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.950 5.162 7.733 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.678 7.650 8.506 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.986 8.227 9.620 1.00 0.00 C ATOM 1228 C ASN A 78 -9.907 9.733 9.511 1.00 0.00 C ATOM 1229 O ASN A 78 -9.719 10.427 10.509 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.566 7.706 9.692 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.392 6.232 9.979 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.391 5.658 9.566 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.305 5.621 10.682 1.00 0.00 N ATOM 0 H ASN A 78 -10.080 7.093 7.896 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.549 7.950 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.075 7.927 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.038 8.266 10.463 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.199 4.631 10.906 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.125 6.133 11.008 1.00 0.00 H new ATOM 1240 N GLY A 79 -10.025 10.234 8.309 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.871 11.640 8.098 1.00 0.00 C ATOM 1242 C GLY A 79 -8.415 11.975 7.942 1.00 0.00 C ATOM 1243 O GLY A 79 -7.952 13.040 8.359 1.00 0.00 O ATOM 0 H GLY A 79 -10.226 9.690 7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.421 11.946 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.292 12.191 8.939 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.681 11.030 7.388 1.00 0.00 N ATOM 1248 CA LYS A 80 -6.301 11.192 7.112 1.00 0.00 C ATOM 1249 C LYS A 80 -6.153 11.735 5.719 1.00 0.00 C ATOM 1250 O LYS A 80 -7.144 12.114 5.068 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.578 9.846 7.189 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.401 9.281 8.591 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.702 7.939 8.527 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.270 7.396 9.905 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.392 7.121 10.823 1.00 0.00 N ATOM 0 H LYS A 80 -8.051 10.118 7.119 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.868 11.872 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.130 9.121 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.594 9.954 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.820 9.974 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.373 9.171 9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.366 7.216 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.822 8.028 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.700 6.478 9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.600 8.116 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.019 6.841 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.974 7.977 10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.975 6.351 10.438 1.00 0.00 H new ATOM 1269 N SER A 81 -4.953 11.779 5.279 1.00 0.00 N ATOM 1270 CA SER A 81 -4.605 12.156 3.948 1.00 0.00 C ATOM 1271 C SER A 81 -5.113 11.082 2.932 1.00 0.00 C ATOM 1272 O SER A 81 -5.733 10.071 3.315 1.00 0.00 O ATOM 1273 CB SER A 81 -3.083 12.277 3.936 1.00 0.00 C ATOM 1274 OG SER A 81 -2.546 12.607 2.671 1.00 0.00 O ATOM 0 H SER A 81 -4.145 11.544 5.856 1.00 0.00 H new ATOM 0 HA SER A 81 -5.067 13.097 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.783 13.037 4.657 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.650 11.334 4.269 1.00 0.00 H new ATOM 0 HG SER A 81 -1.570 12.670 2.736 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.856 11.303 1.675 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.253 10.380 0.649 1.00 0.00 C ATOM 1282 C GLY A 82 -4.088 10.077 -0.249 1.00 0.00 C ATOM 1283 O GLY A 82 -2.956 9.924 0.241 1.00 0.00 O ATOM 0 H GLY A 82 -4.365 12.128 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.624 9.460 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.072 10.802 0.066 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.350 9.958 -1.526 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.343 9.774 -2.522 1.00 0.00 C ATOM 1289 C PHE A 83 -3.308 11.032 -3.371 1.00 0.00 C ATOM 1290 O PHE A 83 -3.993 12.022 -3.049 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.693 8.573 -3.413 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.917 7.293 -2.664 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.867 6.673 -2.028 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.178 6.710 -2.602 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -3.058 5.499 -1.334 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.371 5.529 -1.909 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.307 4.925 -1.275 1.00 0.00 C ATOM 0 H PHE A 83 -5.297 9.988 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.377 9.588 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.591 8.808 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.888 8.423 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.881 7.112 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.012 7.183 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.225 5.027 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.353 5.081 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.453 4.003 -0.733 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.533 11.021 -4.413 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.514 12.102 -5.350 1.00 0.00 C ATOM 1309 C LYS A 84 -3.422 11.749 -6.498 1.00 0.00 C ATOM 1310 O LYS A 84 -3.479 10.597 -6.920 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.104 12.354 -5.831 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.944 13.567 -6.711 1.00 0.00 C ATOM 1313 CD LYS A 84 0.527 13.934 -6.857 1.00 0.00 C ATOM 1314 CE LYS A 84 1.318 12.917 -7.676 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.782 13.212 -7.689 1.00 0.00 N ATOM 0 H LYS A 84 -1.894 10.259 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.867 13.018 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.453 12.463 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.760 11.477 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.374 13.370 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.493 14.407 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.606 14.913 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.974 14.021 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.155 11.920 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.943 12.908 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.248 12.627 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.932 14.217 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.188 12.998 -6.756 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.132 12.711 -6.976 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.102 12.519 -7.970 1.00 0.00 C ATOM 1331 C GLN A 85 -4.508 12.618 -9.356 1.00 0.00 C ATOM 1332 O GLN A 85 -4.103 13.705 -9.801 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.195 13.549 -7.784 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.190 13.276 -6.654 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.581 13.265 -5.263 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.490 14.302 -4.606 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.211 12.106 -4.788 1.00 0.00 N ATOM 0 H GLN A 85 -4.043 13.680 -6.669 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.514 11.515 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.728 14.517 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.751 13.633 -8.718 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.974 14.033 -6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.669 12.314 -6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.301 11.267 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.832 12.039 -3.843 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.422 11.505 -10.019 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.949 11.490 -11.358 1.00 0.00 C ATOM 1348 C GLY A 86 -5.007 10.935 -12.259 1.00 0.00 C ATOM 1349 O GLY A 86 -5.773 10.040 -11.810 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.164 11.434 -13.386 1.00 0.00 O ATOM 0 H GLY A 86 -4.677 10.591 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.683 12.500 -11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.044 10.886 -11.428 1.00 0.00 H new TER 1354 GLY A 86