USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 34 GLN : amide:sc= 0.605 K(o=0.0039,f=-1.3) USER MOD Set 1.2: A 38 ASN : amide:sc= -0.601 K(o=0.0039,f=-3.6!) USER MOD Set 2.1: A 8 GLN : amide:sc= 0.0106 K(o=0.54,f=-1.6) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 173:sc= 0.529 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0.936 (180deg=0.936) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.312! C(o=-1.7!,f=-0.31!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -134:sc= -2.17! (180deg=-4.59) USER MOD Single : A 21 HIS : +bothHN:sc= 1.16 K(o=1.2,f=-7.6!) USER MOD Single : A 27 HIS : no HD1:sc= 0.298 K(o=0.3,f=-3.8!) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -1.42 (180deg=-2.62!) USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= -0.115 (180deg=-0.619) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.102 (180deg=-0.571) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc=-0.00871 (180deg=-0.0221) USER MOD Single : A 57 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.1) USER MOD Single : A 59 TYR OH : rot 82:sc= 0.0125 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0545 F(o=-1.1,f=-0.055) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 80 SER OG : rot 180:sc= -0.206 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -9.114 6.671 -2.298 1.00 0.00 N ATOM 11 CA ILE A 3 -7.799 6.174 -2.633 1.00 0.00 C ATOM 12 C ILE A 3 -7.025 7.082 -3.636 1.00 0.00 C ATOM 13 O ILE A 3 -5.956 7.586 -3.304 1.00 0.00 O ATOM 14 CB ILE A 3 -7.814 4.658 -3.056 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.399 4.074 -3.116 1.00 0.00 C ATOM 16 CG2 ILE A 3 -8.552 4.422 -4.372 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.612 4.242 -1.833 1.00 0.00 C ATOM 0 HA ILE A 3 -7.224 6.224 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.368 4.132 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.464 3.012 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.854 4.551 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.531 3.360 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.586 4.752 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.066 4.986 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.621 3.804 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.514 5.303 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.134 3.741 -1.018 1.00 0.00 H new ATOM 29 N LYS A 4 -7.591 7.358 -4.813 1.00 0.00 N ATOM 30 CA LYS A 4 -6.876 8.144 -5.840 1.00 0.00 C ATOM 31 C LYS A 4 -6.744 9.612 -5.477 1.00 0.00 C ATOM 32 O LYS A 4 -5.866 10.308 -5.988 1.00 0.00 O ATOM 33 CB LYS A 4 -7.531 8.016 -7.221 1.00 0.00 C ATOM 34 CG LYS A 4 -7.364 6.661 -7.898 1.00 0.00 C ATOM 35 CD LYS A 4 -8.176 6.601 -9.187 1.00 0.00 C ATOM 36 CE LYS A 4 -7.825 5.388 -10.041 1.00 0.00 C ATOM 37 NZ LYS A 4 -7.968 4.109 -9.324 1.00 0.00 N ATOM 0 H LYS A 4 -8.528 7.058 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.874 7.716 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.596 8.225 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.116 8.784 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.311 6.485 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.686 5.869 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.238 6.575 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.004 7.510 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.466 5.376 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.798 5.486 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.715 3.325 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.337 4.102 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.953 3.996 -9.009 1.00 0.00 H new ATOM 51 N GLN A 5 -7.585 10.080 -4.586 1.00 0.00 N ATOM 52 CA GLN A 5 -7.577 11.492 -4.214 1.00 0.00 C ATOM 53 C GLN A 5 -6.550 11.802 -3.120 1.00 0.00 C ATOM 54 O GLN A 5 -6.473 12.918 -2.634 1.00 0.00 O ATOM 55 CB GLN A 5 -9.003 12.016 -3.870 1.00 0.00 C ATOM 56 CG GLN A 5 -9.658 11.538 -2.559 1.00 0.00 C ATOM 57 CD GLN A 5 -9.470 10.085 -2.274 1.00 0.00 C ATOM 58 OE1 GLN A 5 -8.499 9.769 -1.442 1.00 0.00 O flip ATOM 59 NE2 GLN A 5 -10.216 9.258 -2.743 1.00 0.00 N flip ATOM 0 H GLN A 5 -8.283 9.515 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.252 12.046 -5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.960 13.105 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.665 11.743 -4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.248 12.115 -1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.726 11.753 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.956 9.544 -3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.106 8.274 -2.498 1.00 0.00 H new ATOM 68 N TYR A 6 -5.760 10.809 -2.744 1.00 0.00 N ATOM 69 CA TYR A 6 -4.673 11.040 -1.797 1.00 0.00 C ATOM 70 C TYR A 6 -3.452 11.624 -2.522 1.00 0.00 C ATOM 71 O TYR A 6 -3.320 11.500 -3.751 1.00 0.00 O ATOM 72 CB TYR A 6 -4.211 9.754 -1.109 1.00 0.00 C ATOM 73 CG TYR A 6 -5.150 9.084 -0.122 1.00 0.00 C ATOM 74 CD1 TYR A 6 -5.831 9.798 0.843 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.267 7.709 -0.107 1.00 0.00 C ATOM 76 CE1 TYR A 6 -6.601 9.154 1.788 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.037 7.062 0.815 1.00 0.00 C ATOM 78 CZ TYR A 6 -6.700 7.781 1.764 1.00 0.00 C ATOM 79 OH TYR A 6 -7.436 7.127 2.709 1.00 0.00 O ATOM 0 H TYR A 6 -5.846 9.847 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.066 11.729 -1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.975 9.028 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.281 9.974 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.760 10.876 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.734 7.129 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.123 9.723 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.121 5.985 0.793 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.399 6.162 2.542 1.00 0.00 H new ATOM 89 N SER A 7 -2.584 12.253 -1.771 1.00 0.00 N ATOM 90 CA SER A 7 -1.313 12.743 -2.275 1.00 0.00 C ATOM 91 C SER A 7 -0.203 11.820 -1.757 1.00 0.00 C ATOM 92 O SER A 7 -0.490 10.868 -1.015 1.00 0.00 O ATOM 93 CB SER A 7 -1.114 14.191 -1.841 1.00 0.00 C ATOM 94 OG SER A 7 -2.261 14.987 -2.152 1.00 0.00 O ATOM 0 H SER A 7 -2.736 12.445 -0.781 1.00 0.00 H new ATOM 0 HA SER A 7 -1.290 12.731 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.922 14.229 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.236 14.605 -2.337 1.00 0.00 H new ATOM 0 HG SER A 7 -2.107 15.910 -1.861 1.00 0.00 H new ATOM 100 N GLN A 8 1.039 12.093 -2.118 1.00 0.00 N ATOM 101 CA GLN A 8 2.124 11.183 -1.825 1.00 0.00 C ATOM 102 C GLN A 8 2.383 11.033 -0.352 1.00 0.00 C ATOM 103 O GLN A 8 2.373 9.917 0.154 1.00 0.00 O ATOM 104 CB GLN A 8 3.409 11.628 -2.472 1.00 0.00 C ATOM 105 CG GLN A 8 4.539 10.677 -2.173 1.00 0.00 C ATOM 106 CD GLN A 8 5.906 11.181 -2.577 1.00 0.00 C ATOM 107 OE1 GLN A 8 6.908 10.817 -1.960 1.00 0.00 O ATOM 108 NE2 GLN A 8 5.967 12.026 -3.567 1.00 0.00 N ATOM 0 H GLN A 8 1.318 12.939 -2.615 1.00 0.00 H new ATOM 0 HA GLN A 8 1.804 10.223 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.268 11.699 -3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.669 12.626 -2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.545 10.465 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.348 9.733 -2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.115 12.304 -4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.867 12.410 -3.855 1.00 0.00 H new ATOM 117 N GLU A 9 2.564 12.147 0.334 1.00 0.00 N ATOM 118 CA GLU A 9 2.933 12.126 1.743 1.00 0.00 C ATOM 119 C GLU A 9 1.840 11.456 2.546 1.00 0.00 C ATOM 120 O GLU A 9 2.116 10.663 3.435 1.00 0.00 O ATOM 121 CB GLU A 9 3.278 13.545 2.294 1.00 0.00 C ATOM 122 CG GLU A 9 2.122 14.546 2.404 1.00 0.00 C ATOM 123 CD GLU A 9 1.481 14.880 1.098 1.00 0.00 C ATOM 124 OE1 GLU A 9 0.584 14.150 0.676 1.00 0.00 O ATOM 125 OE2 GLU A 9 1.869 15.879 0.460 1.00 0.00 O ATOM 0 H GLU A 9 2.462 13.082 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 9 3.848 11.543 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.720 13.427 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.044 13.981 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.365 14.139 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.492 15.464 2.861 1.00 0.00 H new ATOM 132 N GLU A 10 0.612 11.732 2.138 1.00 0.00 N ATOM 133 CA GLU A 10 -0.598 11.175 2.702 1.00 0.00 C ATOM 134 C GLU A 10 -0.509 9.636 2.730 1.00 0.00 C ATOM 135 O GLU A 10 -0.618 9.007 3.773 1.00 0.00 O ATOM 136 CB GLU A 10 -1.734 11.556 1.767 1.00 0.00 C ATOM 137 CG GLU A 10 -3.118 11.280 2.300 1.00 0.00 C ATOM 138 CD GLU A 10 -3.629 12.401 3.167 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.052 12.669 4.219 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.592 13.081 2.746 1.00 0.00 O ATOM 0 H GLU A 10 0.428 12.379 1.371 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.749 11.547 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.655 12.619 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.608 11.017 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.803 11.127 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.106 10.355 2.876 1.00 0.00 H new ATOM 147 N LEU A 11 -0.241 9.070 1.566 1.00 0.00 N ATOM 148 CA LEU A 11 -0.178 7.620 1.351 1.00 0.00 C ATOM 149 C LEU A 11 1.037 7.020 2.018 1.00 0.00 C ATOM 150 O LEU A 11 0.987 5.937 2.589 1.00 0.00 O ATOM 151 CB LEU A 11 -0.064 7.377 -0.145 1.00 0.00 C ATOM 152 CG LEU A 11 -1.281 7.719 -0.987 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.876 7.991 -2.403 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.252 6.574 -0.971 1.00 0.00 C ATOM 0 H LEU A 11 -0.056 9.610 0.721 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.071 7.160 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.782 7.954 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.173 6.325 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.750 8.609 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.759 8.235 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.180 8.830 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.393 7.107 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.122 6.826 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.772 5.684 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.568 6.379 0.054 1.00 0.00 H new ATOM 166 N LYS A 12 2.095 7.771 1.961 1.00 0.00 N ATOM 167 CA LYS A 12 3.422 7.373 2.372 1.00 0.00 C ATOM 168 C LYS A 12 3.491 7.065 3.878 1.00 0.00 C ATOM 169 O LYS A 12 4.313 6.260 4.320 1.00 0.00 O ATOM 170 CB LYS A 12 4.343 8.529 2.026 1.00 0.00 C ATOM 171 CG LYS A 12 5.741 8.172 1.619 1.00 0.00 C ATOM 172 CD LYS A 12 6.487 9.432 1.248 1.00 0.00 C ATOM 173 CE LYS A 12 7.911 9.162 0.843 1.00 0.00 C ATOM 174 NZ LYS A 12 8.599 10.409 0.459 1.00 0.00 N ATOM 0 H LYS A 12 2.062 8.728 1.610 1.00 0.00 H new ATOM 0 HA LYS A 12 3.714 6.456 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.887 9.098 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.398 9.192 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.251 7.660 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.722 7.484 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.968 9.929 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.478 10.118 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.443 8.688 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.928 8.461 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.608 10.214 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.176 10.784 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.499 11.110 1.221 1.00 0.00 H new ATOM 188 N GLU A 13 2.619 7.681 4.648 1.00 0.00 N ATOM 189 CA GLU A 13 2.642 7.520 6.090 1.00 0.00 C ATOM 190 C GLU A 13 1.502 6.656 6.621 1.00 0.00 C ATOM 191 O GLU A 13 1.368 6.471 7.829 1.00 0.00 O ATOM 192 CB GLU A 13 2.667 8.878 6.769 1.00 0.00 C ATOM 193 CG GLU A 13 1.555 9.814 6.346 1.00 0.00 C ATOM 194 CD GLU A 13 1.700 11.174 6.959 1.00 0.00 C ATOM 195 OE1 GLU A 13 2.735 11.832 6.736 1.00 0.00 O ATOM 196 OE2 GLU A 13 0.830 11.591 7.702 1.00 0.00 O ATOM 0 H GLU A 13 1.885 8.298 4.301 1.00 0.00 H new ATOM 0 HA GLU A 13 3.558 6.981 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.610 8.731 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.625 9.356 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.552 9.905 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.594 9.388 6.633 1.00 0.00 H new ATOM 203 N MET A 14 0.711 6.107 5.739 1.00 0.00 N ATOM 204 CA MET A 14 -0.383 5.253 6.165 1.00 0.00 C ATOM 205 C MET A 14 -0.019 3.813 5.911 1.00 0.00 C ATOM 206 O MET A 14 0.903 3.545 5.136 1.00 0.00 O ATOM 207 CB MET A 14 -1.691 5.607 5.451 1.00 0.00 C ATOM 208 CG MET A 14 -2.247 6.974 5.811 1.00 0.00 C ATOM 209 SD MET A 14 -3.822 7.330 4.999 1.00 0.00 S ATOM 210 CE MET A 14 -3.353 7.334 3.282 1.00 0.00 C ATOM 0 H MET A 14 0.795 6.229 4.730 1.00 0.00 H new ATOM 0 HA MET A 14 -0.545 5.410 7.231 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.527 5.566 4.374 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.438 4.849 5.688 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.380 7.034 6.891 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.521 7.739 5.536 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.789 8.202 2.788 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.267 7.378 3.202 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.716 6.424 2.804 1.00 0.00 H new ATOM 220 N ALA A 15 -0.719 2.887 6.558 1.00 0.00 N ATOM 221 CA ALA A 15 -0.450 1.473 6.368 1.00 0.00 C ATOM 222 C ALA A 15 -0.763 1.091 4.933 1.00 0.00 C ATOM 223 O ALA A 15 -1.855 1.390 4.424 1.00 0.00 O ATOM 224 CB ALA A 15 -1.272 0.636 7.338 1.00 0.00 C ATOM 0 H ALA A 15 -1.472 3.092 7.214 1.00 0.00 H new ATOM 0 HA ALA A 15 0.603 1.278 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.056 -0.421 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.016 0.909 8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.333 0.819 7.168 1.00 0.00 H new ATOM 230 N LEU A 16 0.160 0.414 4.294 1.00 0.00 N ATOM 231 CA LEU A 16 0.019 0.091 2.894 1.00 0.00 C ATOM 232 C LEU A 16 -1.064 -0.937 2.608 1.00 0.00 C ATOM 233 O LEU A 16 -1.647 -0.946 1.514 1.00 0.00 O ATOM 234 CB LEU A 16 1.359 -0.141 2.124 1.00 0.00 C ATOM 235 CG LEU A 16 2.424 -1.117 2.678 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.466 -1.358 1.610 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.139 -0.543 3.894 1.00 0.00 C ATOM 0 H LEU A 16 1.021 0.074 4.723 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.354 1.014 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.099 -0.483 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.840 0.831 2.014 1.00 0.00 H new ATOM 0 HG LEU A 16 1.914 -2.036 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.223 -2.045 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.991 -1.791 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.936 -0.412 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.879 -1.259 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.637 0.386 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.413 -0.345 4.683 1.00 0.00 H new ATOM 249 N VAL A 17 -1.359 -1.775 3.588 1.00 0.00 N ATOM 250 CA VAL A 17 -2.492 -2.683 3.509 1.00 0.00 C ATOM 251 C VAL A 17 -3.817 -1.888 3.348 1.00 0.00 C ATOM 252 O VAL A 17 -4.682 -2.279 2.576 1.00 0.00 O ATOM 253 CB VAL A 17 -2.554 -3.649 4.740 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.689 -2.888 6.052 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.668 -4.680 4.588 1.00 0.00 C ATOM 0 H VAL A 17 -0.825 -1.845 4.454 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.356 -3.306 2.625 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.606 -4.185 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.729 -3.595 6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.831 -2.227 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.604 -2.296 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.681 -5.333 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.627 -4.169 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.493 -5.275 3.692 1.00 0.00 H new ATOM 265 N GLU A 18 -3.925 -0.730 4.019 1.00 0.00 N ATOM 266 CA GLU A 18 -5.118 0.109 3.897 1.00 0.00 C ATOM 267 C GLU A 18 -5.166 0.820 2.578 1.00 0.00 C ATOM 268 O GLU A 18 -6.242 1.027 2.016 1.00 0.00 O ATOM 269 CB GLU A 18 -5.284 1.096 5.044 1.00 0.00 C ATOM 270 CG GLU A 18 -6.103 0.542 6.181 1.00 0.00 C ATOM 271 CD GLU A 18 -7.465 0.068 5.694 1.00 0.00 C ATOM 272 OE1 GLU A 18 -8.312 0.912 5.296 1.00 0.00 O ATOM 273 OE2 GLU A 18 -7.688 -1.135 5.645 1.00 0.00 O ATOM 0 H GLU A 18 -3.208 -0.361 4.643 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.962 -0.579 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.300 1.381 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.758 2.003 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.571 -0.288 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.233 1.307 6.946 1.00 0.00 H new ATOM 280 N ILE A 19 -3.997 1.171 2.072 1.00 0.00 N ATOM 281 CA ILE A 19 -3.883 1.790 0.760 1.00 0.00 C ATOM 282 C ILE A 19 -4.477 0.822 -0.260 1.00 0.00 C ATOM 283 O ILE A 19 -5.317 1.177 -1.083 1.00 0.00 O ATOM 284 CB ILE A 19 -2.393 2.058 0.400 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.701 2.893 1.496 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.267 2.740 -0.960 1.00 0.00 C ATOM 287 CD1 ILE A 19 -2.317 4.238 1.753 1.00 0.00 C ATOM 0 H ILE A 19 -3.107 1.037 2.552 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.410 2.744 0.758 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.889 1.093 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.709 2.323 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.657 3.035 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.214 2.914 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.700 2.101 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.796 3.693 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.761 4.749 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.285 4.833 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.353 4.110 2.066 1.00 0.00 H new ATOM 299 N ALA A 20 -4.058 -0.411 -0.144 1.00 0.00 N ATOM 300 CA ALA A 20 -4.557 -1.477 -0.962 1.00 0.00 C ATOM 301 C ALA A 20 -6.048 -1.735 -0.675 1.00 0.00 C ATOM 302 O ALA A 20 -6.816 -1.930 -1.588 1.00 0.00 O ATOM 303 CB ALA A 20 -3.718 -2.727 -0.770 1.00 0.00 C ATOM 0 H ALA A 20 -3.351 -0.703 0.531 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.477 -1.184 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.109 -3.528 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.685 -2.519 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.756 -3.034 0.275 1.00 0.00 H new ATOM 309 N HIS A 21 -6.451 -1.709 0.593 1.00 0.00 N ATOM 310 CA HIS A 21 -7.866 -1.869 0.964 1.00 0.00 C ATOM 311 C HIS A 21 -8.757 -0.878 0.214 1.00 0.00 C ATOM 312 O HIS A 21 -9.682 -1.293 -0.470 1.00 0.00 O ATOM 313 CB HIS A 21 -8.054 -1.738 2.495 1.00 0.00 C ATOM 314 CG HIS A 21 -9.492 -1.600 2.965 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.915 -0.580 3.767 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.593 -2.330 2.694 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.204 -0.674 3.957 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.648 -1.730 3.315 1.00 0.00 N ATOM 0 H HIS A 21 -5.822 -1.579 1.385 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.173 -2.873 0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.615 -2.613 2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.492 -0.870 2.840 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.315 0.146 4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.632 -3.227 2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.805 0.004 4.545 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -12.617 -2.047 3.286 1.00 0.00 H new ATOM 327 N GLU A 22 -8.443 0.397 0.302 1.00 0.00 N ATOM 328 CA GLU A 22 -9.219 1.440 -0.371 1.00 0.00 C ATOM 329 C GLU A 22 -9.190 1.264 -1.888 1.00 0.00 C ATOM 330 O GLU A 22 -10.183 1.525 -2.584 1.00 0.00 O ATOM 331 CB GLU A 22 -8.694 2.802 0.017 1.00 0.00 C ATOM 332 CG GLU A 22 -8.970 3.176 1.466 1.00 0.00 C ATOM 333 CD GLU A 22 -10.460 3.268 1.755 1.00 0.00 C ATOM 334 OE1 GLU A 22 -11.110 4.266 1.328 1.00 0.00 O ATOM 335 OE2 GLU A 22 -11.024 2.351 2.371 1.00 0.00 O ATOM 0 H GLU A 22 -7.649 0.748 0.837 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.257 1.354 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.618 2.830 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.142 3.553 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.518 2.434 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.497 4.132 1.690 1.00 0.00 H new ATOM 342 N LEU A 23 -8.061 0.802 -2.375 1.00 0.00 N ATOM 343 CA LEU A 23 -7.839 0.485 -3.778 1.00 0.00 C ATOM 344 C LEU A 23 -8.845 -0.582 -4.225 1.00 0.00 C ATOM 345 O LEU A 23 -9.524 -0.446 -5.254 1.00 0.00 O ATOM 346 CB LEU A 23 -6.396 -0.027 -3.895 1.00 0.00 C ATOM 347 CG LEU A 23 -5.825 -0.431 -5.245 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.978 0.696 -6.235 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.359 -0.711 -5.022 1.00 0.00 C ATOM 0 H LEU A 23 -7.242 0.629 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.980 1.356 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.746 0.749 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.308 -0.892 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.345 -1.302 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.565 0.393 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.035 0.936 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.445 1.574 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.898 -1.007 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.870 0.187 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.249 -1.516 -4.295 1.00 0.00 H new ATOM 361 N PHE A 24 -8.974 -1.603 -3.425 1.00 0.00 N ATOM 362 CA PHE A 24 -9.884 -2.687 -3.703 1.00 0.00 C ATOM 363 C PHE A 24 -11.329 -2.328 -3.425 1.00 0.00 C ATOM 364 O PHE A 24 -12.223 -2.927 -3.988 1.00 0.00 O ATOM 365 CB PHE A 24 -9.460 -3.955 -2.995 1.00 0.00 C ATOM 366 CG PHE A 24 -8.276 -4.593 -3.635 1.00 0.00 C ATOM 367 CD1 PHE A 24 -7.001 -4.161 -3.371 1.00 0.00 C ATOM 368 CD2 PHE A 24 -8.449 -5.616 -4.514 1.00 0.00 C ATOM 369 CE1 PHE A 24 -5.918 -4.743 -3.973 1.00 0.00 C ATOM 370 CE2 PHE A 24 -7.382 -6.203 -5.117 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.112 -5.770 -4.849 1.00 0.00 C ATOM 0 H PHE A 24 -8.450 -1.711 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.830 -2.878 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.229 -3.727 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.291 -4.660 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.849 -3.348 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.446 -5.966 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.920 -4.392 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.537 -7.016 -5.811 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.266 -6.240 -5.329 1.00 0.00 H new ATOM 381 N GLU A 25 -11.553 -1.362 -2.570 1.00 0.00 N ATOM 382 CA GLU A 25 -12.901 -0.857 -2.327 1.00 0.00 C ATOM 383 C GLU A 25 -13.437 -0.172 -3.561 1.00 0.00 C ATOM 384 O GLU A 25 -14.599 -0.349 -3.925 1.00 0.00 O ATOM 385 CB GLU A 25 -12.928 0.103 -1.149 1.00 0.00 C ATOM 386 CG GLU A 25 -12.655 -0.555 0.178 1.00 0.00 C ATOM 387 CD GLU A 25 -13.769 -1.467 0.654 1.00 0.00 C ATOM 388 OE1 GLU A 25 -14.475 -2.099 -0.170 1.00 0.00 O ATOM 389 OE2 GLU A 25 -13.923 -1.597 1.882 1.00 0.00 O ATOM 0 H GLU A 25 -10.824 -0.902 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.536 -1.710 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.189 0.887 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.903 0.588 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.734 -1.132 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.487 0.218 0.928 1.00 0.00 H new ATOM 396 N GLU A 26 -12.581 0.596 -4.206 1.00 0.00 N ATOM 397 CA GLU A 26 -12.938 1.286 -5.424 1.00 0.00 C ATOM 398 C GLU A 26 -13.148 0.273 -6.545 1.00 0.00 C ATOM 399 O GLU A 26 -14.181 0.269 -7.228 1.00 0.00 O ATOM 400 CB GLU A 26 -11.822 2.239 -5.832 1.00 0.00 C ATOM 401 CG GLU A 26 -12.118 2.995 -7.108 1.00 0.00 C ATOM 402 CD GLU A 26 -10.915 3.684 -7.661 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.097 3.011 -8.318 1.00 0.00 O ATOM 404 OE2 GLU A 26 -10.764 4.897 -7.463 1.00 0.00 O ATOM 0 H GLU A 26 -11.622 0.757 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.855 1.848 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.651 2.953 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.899 1.673 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.510 2.303 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.898 3.732 -6.916 1.00 0.00 H new ATOM 411 N HIS A 27 -12.162 -0.589 -6.719 1.00 0.00 N ATOM 412 CA HIS A 27 -12.179 -1.559 -7.796 1.00 0.00 C ATOM 413 C HIS A 27 -13.290 -2.608 -7.645 1.00 0.00 C ATOM 414 O HIS A 27 -14.017 -2.866 -8.603 1.00 0.00 O ATOM 415 CB HIS A 27 -10.797 -2.232 -7.998 1.00 0.00 C ATOM 416 CG HIS A 27 -9.748 -1.381 -8.694 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.519 -1.436 -10.050 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.831 -0.503 -8.211 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.514 -0.645 -10.367 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.078 -0.067 -9.275 1.00 0.00 N ATOM 0 H HIS A 27 -11.335 -0.636 -6.123 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.407 -0.991 -8.698 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.411 -2.527 -7.023 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.939 -3.146 -8.575 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.715 -0.203 -7.180 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.116 -0.498 -11.360 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.306 0.598 -9.223 1.00 0.00 H new ATOM 429 N LYS A 28 -13.447 -3.181 -6.429 1.00 0.00 N ATOM 430 CA LYS A 28 -14.425 -4.280 -6.157 1.00 0.00 C ATOM 431 C LYS A 28 -14.121 -5.468 -7.058 1.00 0.00 C ATOM 432 O LYS A 28 -14.983 -6.260 -7.436 1.00 0.00 O ATOM 433 CB LYS A 28 -15.864 -3.783 -6.312 1.00 0.00 C ATOM 434 CG LYS A 28 -16.242 -2.754 -5.255 1.00 0.00 C ATOM 435 CD LYS A 28 -17.621 -2.132 -5.468 1.00 0.00 C ATOM 436 CE LYS A 28 -17.644 -1.039 -6.558 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.312 -1.526 -7.922 1.00 0.00 N ATOM 0 H LYS A 28 -12.908 -2.903 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.322 -4.609 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.989 -3.345 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.547 -4.631 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.215 -3.228 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.493 -1.962 -5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.327 -2.917 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.966 -1.703 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.634 -0.584 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.939 -0.254 -6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.726 -0.886 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.279 -1.551 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.699 -2.483 -8.053 1.00 0.00 H new ATOM 451 N LYS A 29 -12.855 -5.603 -7.299 1.00 0.00 N ATOM 452 CA LYS A 29 -12.282 -6.541 -8.193 1.00 0.00 C ATOM 453 C LYS A 29 -11.004 -7.050 -7.568 1.00 0.00 C ATOM 454 O LYS A 29 -10.190 -6.244 -7.126 1.00 0.00 O ATOM 455 CB LYS A 29 -11.989 -5.773 -9.504 1.00 0.00 C ATOM 456 CG LYS A 29 -10.896 -6.311 -10.428 1.00 0.00 C ATOM 457 CD LYS A 29 -11.232 -7.630 -11.073 1.00 0.00 C ATOM 458 CE LYS A 29 -10.146 -8.020 -12.065 1.00 0.00 C ATOM 459 NZ LYS A 29 -9.989 -7.011 -13.147 1.00 0.00 N ATOM 0 H LYS A 29 -12.154 -5.019 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.934 -7.390 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.915 -5.726 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.726 -4.749 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.701 -5.576 -11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.974 -6.422 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.332 -8.402 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.193 -7.560 -11.583 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.199 -8.136 -11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.387 -8.988 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.884 -7.496 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.829 -6.398 -13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.144 -6.433 -12.963 1.00 0.00 H new ATOM 473 N PRO A 30 -10.844 -8.377 -7.449 1.00 0.00 N ATOM 474 CA PRO A 30 -9.588 -8.961 -7.002 1.00 0.00 C ATOM 475 C PRO A 30 -8.526 -8.740 -8.068 1.00 0.00 C ATOM 476 O PRO A 30 -8.766 -8.968 -9.265 1.00 0.00 O ATOM 477 CB PRO A 30 -9.907 -10.449 -6.841 1.00 0.00 C ATOM 478 CG PRO A 30 -11.111 -10.680 -7.686 1.00 0.00 C ATOM 479 CD PRO A 30 -11.878 -9.392 -7.679 1.00 0.00 C ATOM 0 HA PRO A 30 -9.206 -8.525 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.072 -11.069 -7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.103 -10.700 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.827 -10.959 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.715 -11.495 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.397 -9.229 -8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.634 -9.380 -6.894 1.00 0.00 H new ATOM 487 N VAL A 31 -7.384 -8.321 -7.654 1.00 0.00 N ATOM 488 CA VAL A 31 -6.361 -7.893 -8.560 1.00 0.00 C ATOM 489 C VAL A 31 -5.089 -8.690 -8.304 1.00 0.00 C ATOM 490 O VAL A 31 -4.777 -9.020 -7.144 1.00 0.00 O ATOM 491 CB VAL A 31 -6.088 -6.344 -8.387 1.00 0.00 C ATOM 492 CG1 VAL A 31 -4.963 -5.857 -9.266 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.340 -5.525 -8.676 1.00 0.00 C ATOM 0 H VAL A 31 -7.124 -8.262 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.691 -8.069 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.795 -6.204 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.816 -4.788 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.047 -6.390 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.213 -6.040 -10.311 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.119 -4.465 -8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.665 -5.707 -9.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.132 -5.816 -7.986 1.00 0.00 H new ATOM 503 N PRO A 32 -4.386 -9.104 -9.379 1.00 0.00 N ATOM 504 CA PRO A 32 -3.083 -9.738 -9.266 1.00 0.00 C ATOM 505 C PRO A 32 -2.121 -8.833 -8.498 1.00 0.00 C ATOM 506 O PRO A 32 -2.188 -7.588 -8.610 1.00 0.00 O ATOM 507 CB PRO A 32 -2.636 -9.896 -10.724 1.00 0.00 C ATOM 508 CG PRO A 32 -3.905 -9.965 -11.483 1.00 0.00 C ATOM 509 CD PRO A 32 -4.829 -9.022 -10.785 1.00 0.00 C ATOM 0 HA PRO A 32 -3.108 -10.685 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.023 -9.054 -11.047 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.039 -10.797 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.758 -9.675 -12.523 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.306 -10.978 -11.488 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.743 -8.009 -11.177 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.871 -9.320 -10.898 1.00 0.00 H new ATOM 517 N PHE A 33 -1.220 -9.450 -7.769 1.00 0.00 N ATOM 518 CA PHE A 33 -0.312 -8.768 -6.862 1.00 0.00 C ATOM 519 C PHE A 33 0.527 -7.703 -7.584 1.00 0.00 C ATOM 520 O PHE A 33 0.777 -6.634 -7.052 1.00 0.00 O ATOM 521 CB PHE A 33 0.582 -9.812 -6.171 1.00 0.00 C ATOM 522 CG PHE A 33 1.468 -9.275 -5.081 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.974 -9.079 -3.802 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.792 -8.981 -5.330 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.787 -8.597 -2.797 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.610 -8.502 -4.331 1.00 0.00 C ATOM 527 CZ PHE A 33 3.107 -8.307 -3.062 1.00 0.00 C ATOM 0 H PHE A 33 -1.091 -10.462 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.898 -8.238 -6.111 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.054 -10.590 -5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.209 -10.287 -6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.060 -9.306 -3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.193 -9.128 -6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.389 -8.447 -1.804 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.646 -8.279 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.746 -7.928 -2.278 1.00 0.00 H new ATOM 537 N GLN A 34 0.890 -7.981 -8.808 1.00 0.00 N ATOM 538 CA GLN A 34 1.727 -7.085 -9.577 1.00 0.00 C ATOM 539 C GLN A 34 0.946 -5.784 -9.956 1.00 0.00 C ATOM 540 O GLN A 34 1.491 -4.683 -9.871 1.00 0.00 O ATOM 541 CB GLN A 34 2.236 -7.832 -10.828 1.00 0.00 C ATOM 542 CG GLN A 34 3.622 -7.416 -11.360 1.00 0.00 C ATOM 543 CD GLN A 34 3.716 -5.984 -11.824 1.00 0.00 C ATOM 544 OE1 GLN A 34 3.441 -5.681 -12.978 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.150 -5.112 -10.966 1.00 0.00 N ATOM 0 H GLN A 34 0.618 -8.830 -9.303 1.00 0.00 H new ATOM 0 HA GLN A 34 2.584 -6.774 -8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.263 -8.898 -10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.508 -7.694 -11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.361 -7.578 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.889 -8.071 -12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.369 -5.400 -10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.272 -4.139 -11.245 1.00 0.00 H new ATOM 554 N GLU A 35 -0.359 -5.896 -10.250 1.00 0.00 N ATOM 555 CA GLU A 35 -1.097 -4.740 -10.725 1.00 0.00 C ATOM 556 C GLU A 35 -1.413 -3.830 -9.579 1.00 0.00 C ATOM 557 O GLU A 35 -1.339 -2.617 -9.709 1.00 0.00 O ATOM 558 CB GLU A 35 -2.388 -5.121 -11.443 1.00 0.00 C ATOM 559 CG GLU A 35 -2.222 -5.859 -12.752 1.00 0.00 C ATOM 560 CD GLU A 35 -3.553 -6.119 -13.418 1.00 0.00 C ATOM 561 OE1 GLU A 35 -4.233 -5.149 -13.816 1.00 0.00 O ATOM 562 OE2 GLU A 35 -3.950 -7.295 -13.572 1.00 0.00 O ATOM 0 H GLU A 35 -0.903 -6.755 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.459 -4.231 -11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.985 -5.739 -10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.959 -4.212 -11.631 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.588 -5.277 -13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.713 -6.806 -12.574 1.00 0.00 H new ATOM 569 N LEU A 36 -1.725 -4.423 -8.437 1.00 0.00 N ATOM 570 CA LEU A 36 -2.065 -3.660 -7.259 1.00 0.00 C ATOM 571 C LEU A 36 -0.875 -2.821 -6.776 1.00 0.00 C ATOM 572 O LEU A 36 -1.052 -1.713 -6.298 1.00 0.00 O ATOM 573 CB LEU A 36 -2.710 -4.558 -6.156 1.00 0.00 C ATOM 574 CG LEU A 36 -1.896 -5.751 -5.612 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.828 -5.314 -4.639 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.797 -6.791 -4.976 1.00 0.00 C ATOM 0 H LEU A 36 -1.748 -5.434 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.839 -2.940 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.963 -3.917 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.647 -4.949 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.397 -6.204 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.281 -6.187 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.139 -4.632 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.292 -4.807 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.192 -7.618 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.345 -6.340 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.503 -7.164 -5.718 1.00 0.00 H new ATOM 588 N LEU A 37 0.337 -3.341 -6.957 1.00 0.00 N ATOM 589 CA LEU A 37 1.547 -2.622 -6.600 1.00 0.00 C ATOM 590 C LEU A 37 1.727 -1.438 -7.522 1.00 0.00 C ATOM 591 O LEU A 37 2.060 -0.344 -7.083 1.00 0.00 O ATOM 592 CB LEU A 37 2.746 -3.539 -6.702 1.00 0.00 C ATOM 593 CG LEU A 37 2.810 -4.685 -5.719 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.971 -5.579 -6.063 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.933 -4.165 -4.295 1.00 0.00 C ATOM 0 H LEU A 37 0.502 -4.266 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 37 1.460 -2.268 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.773 -3.953 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.646 -2.937 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 37 1.887 -5.262 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.017 -6.405 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.841 -5.973 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.898 -5.007 -6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.978 -5.006 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.842 -3.570 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.068 -3.546 -4.058 1.00 0.00 H new ATOM 607 N ASN A 38 1.497 -1.673 -8.798 1.00 0.00 N ATOM 608 CA ASN A 38 1.545 -0.628 -9.823 1.00 0.00 C ATOM 609 C ASN A 38 0.534 0.465 -9.541 1.00 0.00 C ATOM 610 O ASN A 38 0.837 1.659 -9.704 1.00 0.00 O ATOM 611 CB ASN A 38 1.322 -1.217 -11.209 1.00 0.00 C ATOM 612 CG ASN A 38 2.540 -1.920 -11.756 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.370 -2.428 -11.018 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.660 -1.956 -13.042 1.00 0.00 N ATOM 0 H ASN A 38 1.269 -2.597 -9.164 1.00 0.00 H new ATOM 0 HA ASN A 38 2.539 -0.183 -9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.491 -1.921 -11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.032 -0.420 -11.894 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.464 -2.418 -13.466 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.950 -1.523 -13.633 1.00 0.00 H new ATOM 621 N GLU A 39 -0.659 0.056 -9.119 1.00 0.00 N ATOM 622 CA GLU A 39 -1.708 0.975 -8.684 1.00 0.00 C ATOM 623 C GLU A 39 -1.164 1.864 -7.566 1.00 0.00 C ATOM 624 O GLU A 39 -1.164 3.092 -7.679 1.00 0.00 O ATOM 625 CB GLU A 39 -2.895 0.187 -8.135 1.00 0.00 C ATOM 626 CG GLU A 39 -3.691 -0.639 -9.137 1.00 0.00 C ATOM 627 CD GLU A 39 -4.578 0.193 -10.019 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.584 0.727 -9.523 1.00 0.00 O ATOM 629 OE2 GLU A 39 -4.311 0.314 -11.212 1.00 0.00 O ATOM 0 H GLU A 39 -0.927 -0.927 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.026 1.579 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.528 -0.483 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.577 0.889 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.000 -1.207 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.302 -1.363 -8.597 1.00 0.00 H new ATOM 636 N ILE A 40 -0.648 1.215 -6.516 1.00 0.00 N ATOM 637 CA ILE A 40 -0.093 1.888 -5.339 1.00 0.00 C ATOM 638 C ILE A 40 1.027 2.852 -5.737 1.00 0.00 C ATOM 639 O ILE A 40 1.001 4.023 -5.376 1.00 0.00 O ATOM 640 CB ILE A 40 0.445 0.853 -4.290 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.694 -0.042 -3.777 1.00 0.00 C ATOM 642 CG2 ILE A 40 1.125 1.559 -3.116 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.233 -1.178 -2.878 1.00 0.00 C ATOM 0 H ILE A 40 -0.604 0.197 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.902 2.457 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 40 1.185 0.229 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.407 0.574 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.225 -0.462 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.488 0.816 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.964 2.150 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.408 2.215 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.096 -1.762 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.457 -1.819 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.271 -0.768 -2.003 1.00 0.00 H new ATOM 655 N ALA A 41 1.964 2.370 -6.520 1.00 0.00 N ATOM 656 CA ALA A 41 3.104 3.165 -6.949 1.00 0.00 C ATOM 657 C ALA A 41 2.694 4.374 -7.780 1.00 0.00 C ATOM 658 O ALA A 41 3.404 5.359 -7.823 1.00 0.00 O ATOM 659 CB ALA A 41 4.100 2.315 -7.694 1.00 0.00 C ATOM 0 H ALA A 41 1.963 1.416 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 41 3.579 3.549 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.944 2.931 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.455 1.516 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.623 1.882 -8.574 1.00 0.00 H new ATOM 665 N SER A 42 1.604 4.250 -8.505 1.00 0.00 N ATOM 666 CA SER A 42 1.049 5.363 -9.251 1.00 0.00 C ATOM 667 C SER A 42 0.356 6.354 -8.312 1.00 0.00 C ATOM 668 O SER A 42 0.443 7.568 -8.519 1.00 0.00 O ATOM 669 CB SER A 42 0.121 4.853 -10.366 1.00 0.00 C ATOM 670 OG SER A 42 -0.363 5.891 -11.221 1.00 0.00 O ATOM 0 H SER A 42 1.078 3.381 -8.595 1.00 0.00 H new ATOM 0 HA SER A 42 1.860 5.907 -9.736 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.657 4.118 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.728 4.339 -9.915 1.00 0.00 H new ATOM 0 HG SER A 42 -0.945 5.504 -11.908 1.00 0.00 H new ATOM 676 N LEU A 43 -0.328 5.835 -7.300 1.00 0.00 N ATOM 677 CA LEU A 43 -1.007 6.664 -6.313 1.00 0.00 C ATOM 678 C LEU A 43 0.001 7.565 -5.633 1.00 0.00 C ATOM 679 O LEU A 43 -0.203 8.781 -5.517 1.00 0.00 O ATOM 680 CB LEU A 43 -1.717 5.794 -5.277 1.00 0.00 C ATOM 681 CG LEU A 43 -2.833 4.898 -5.803 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.329 3.986 -4.709 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.978 5.736 -6.345 1.00 0.00 C ATOM 0 H LEU A 43 -0.427 4.832 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.756 7.274 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.972 5.164 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.134 6.446 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.434 4.290 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.126 3.352 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.508 3.362 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.712 4.584 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.765 5.080 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.376 6.366 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.616 6.364 -7.159 1.00 0.00 H new ATOM 695 N LEU A 44 1.086 6.976 -5.192 1.00 0.00 N ATOM 696 CA LEU A 44 2.155 7.735 -4.606 1.00 0.00 C ATOM 697 C LEU A 44 2.958 8.365 -5.724 1.00 0.00 C ATOM 698 O LEU A 44 3.212 7.737 -6.723 1.00 0.00 O ATOM 699 CB LEU A 44 3.118 6.869 -3.752 1.00 0.00 C ATOM 700 CG LEU A 44 2.632 6.258 -2.424 1.00 0.00 C ATOM 701 CD1 LEU A 44 1.645 5.134 -2.640 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.819 5.760 -1.620 1.00 0.00 C ATOM 0 H LEU A 44 1.249 5.970 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 44 1.705 8.477 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.459 6.047 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.991 7.481 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 44 2.115 7.043 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.331 4.735 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.775 5.512 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.116 4.343 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.468 5.329 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.352 5.000 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.490 6.592 -1.408 1.00 0.00 H new ATOM 714 N GLY A 45 3.309 9.596 -5.582 1.00 0.00 N ATOM 715 CA GLY A 45 4.204 10.234 -6.555 1.00 0.00 C ATOM 716 C GLY A 45 5.662 9.782 -6.383 1.00 0.00 C ATOM 717 O GLY A 45 6.562 10.614 -6.236 1.00 0.00 O ATOM 0 H GLY A 45 3.007 10.199 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.868 9.998 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.145 11.317 -6.445 1.00 0.00 H new ATOM 721 N VAL A 46 5.882 8.474 -6.426 1.00 0.00 N ATOM 722 CA VAL A 46 7.189 7.872 -6.179 1.00 0.00 C ATOM 723 C VAL A 46 7.607 6.992 -7.354 1.00 0.00 C ATOM 724 O VAL A 46 6.852 6.844 -8.337 1.00 0.00 O ATOM 725 CB VAL A 46 7.173 6.995 -4.889 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.814 7.814 -3.661 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.240 5.791 -5.038 1.00 0.00 C ATOM 0 H VAL A 46 5.152 7.793 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 46 7.899 8.689 -6.053 1.00 0.00 H new ATOM 0 HB VAL A 46 8.185 6.614 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.813 7.170 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.547 8.609 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.824 8.251 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.255 5.203 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.225 6.139 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.575 5.172 -5.870 1.00 0.00 H new ATOM 737 N LYS A 47 8.792 6.404 -7.260 1.00 0.00 N ATOM 738 CA LYS A 47 9.279 5.502 -8.289 1.00 0.00 C ATOM 739 C LYS A 47 8.994 4.072 -7.861 1.00 0.00 C ATOM 740 O LYS A 47 8.736 3.815 -6.683 1.00 0.00 O ATOM 741 CB LYS A 47 10.790 5.659 -8.497 1.00 0.00 C ATOM 742 CG LYS A 47 11.276 7.096 -8.600 1.00 0.00 C ATOM 743 CD LYS A 47 12.734 7.161 -9.030 1.00 0.00 C ATOM 744 CE LYS A 47 12.891 6.929 -10.531 1.00 0.00 C ATOM 745 NZ LYS A 47 12.199 7.974 -11.332 1.00 0.00 N ATOM 0 H LYS A 47 9.434 6.538 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 47 8.773 5.740 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.308 5.174 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.074 5.129 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.660 7.639 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.157 7.592 -7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.148 8.134 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.308 6.412 -8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.950 6.918 -10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.490 5.949 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.626 8.026 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.191 7.733 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.295 8.895 -10.858 1.00 0.00 H new ATOM 759 N LYS A 48 9.072 3.137 -8.795 1.00 0.00 N ATOM 760 CA LYS A 48 8.835 1.736 -8.479 1.00 0.00 C ATOM 761 C LYS A 48 9.946 1.192 -7.572 1.00 0.00 C ATOM 762 O LYS A 48 9.717 0.296 -6.812 1.00 0.00 O ATOM 763 CB LYS A 48 8.748 0.867 -9.751 1.00 0.00 C ATOM 764 CG LYS A 48 8.438 -0.611 -9.456 1.00 0.00 C ATOM 765 CD LYS A 48 6.951 -0.864 -9.136 1.00 0.00 C ATOM 766 CE LYS A 48 6.189 -1.378 -10.356 1.00 0.00 C ATOM 767 NZ LYS A 48 6.248 -0.469 -11.517 1.00 0.00 N ATOM 0 H LYS A 48 9.296 3.321 -9.773 1.00 0.00 H new ATOM 0 HA LYS A 48 7.878 1.685 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.975 1.270 -10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.691 0.932 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.727 -1.215 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.046 -0.943 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.872 -1.589 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.493 0.060 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.594 -2.348 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.146 -1.536 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.642 -0.838 -12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.915 0.475 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.229 -0.403 -11.857 1.00 0.00 H new ATOM 781 N GLU A 49 11.132 1.778 -7.658 1.00 0.00 N ATOM 782 CA GLU A 49 12.314 1.327 -6.886 1.00 0.00 C ATOM 783 C GLU A 49 12.046 1.329 -5.368 1.00 0.00 C ATOM 784 O GLU A 49 12.120 0.291 -4.690 1.00 0.00 O ATOM 785 CB GLU A 49 13.471 2.266 -7.160 1.00 0.00 C ATOM 786 CG GLU A 49 13.791 2.453 -8.618 1.00 0.00 C ATOM 787 CD GLU A 49 14.957 3.357 -8.814 1.00 0.00 C ATOM 788 OE1 GLU A 49 16.093 2.945 -8.511 1.00 0.00 O ATOM 789 OE2 GLU A 49 14.771 4.481 -9.294 1.00 0.00 O ATOM 0 H GLU A 49 11.317 2.580 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 49 12.543 0.308 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.244 3.239 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.358 1.887 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.001 1.484 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.922 2.864 -9.132 1.00 0.00 H new ATOM 796 N GLU A 50 11.685 2.486 -4.870 1.00 0.00 N ATOM 797 CA GLU A 50 11.429 2.699 -3.454 1.00 0.00 C ATOM 798 C GLU A 50 10.157 1.971 -3.030 1.00 0.00 C ATOM 799 O GLU A 50 10.032 1.483 -1.902 1.00 0.00 O ATOM 800 CB GLU A 50 11.324 4.193 -3.203 1.00 0.00 C ATOM 801 CG GLU A 50 10.237 4.859 -4.021 1.00 0.00 C ATOM 802 CD GLU A 50 10.298 6.341 -3.947 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.026 6.901 -2.879 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.600 6.988 -4.980 1.00 0.00 O ATOM 0 H GLU A 50 11.557 3.323 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 50 12.247 2.294 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.130 4.365 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.281 4.662 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.326 4.546 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.263 4.520 -3.669 1.00 0.00 H new ATOM 811 N LEU A 51 9.233 1.850 -3.964 1.00 0.00 N ATOM 812 CA LEU A 51 8.012 1.152 -3.713 1.00 0.00 C ATOM 813 C LEU A 51 8.321 -0.351 -3.747 1.00 0.00 C ATOM 814 O LEU A 51 7.599 -1.132 -3.213 1.00 0.00 O ATOM 815 CB LEU A 51 6.955 1.572 -4.757 1.00 0.00 C ATOM 816 CG LEU A 51 5.444 1.272 -4.486 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.080 -0.198 -4.651 1.00 0.00 C ATOM 818 CD2 LEU A 51 5.032 1.773 -3.108 1.00 0.00 C ATOM 0 H LEU A 51 9.317 2.233 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 51 7.597 1.397 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.053 2.647 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.219 1.094 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 51 4.886 1.815 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.018 -0.335 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.298 -0.515 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.663 -0.798 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.977 1.554 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.631 1.275 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.192 2.850 -3.049 1.00 0.00 H new ATOM 830 N GLY A 52 9.446 -0.708 -4.363 1.00 0.00 N ATOM 831 CA GLY A 52 9.926 -2.077 -4.405 1.00 0.00 C ATOM 832 C GLY A 52 10.322 -2.519 -3.033 1.00 0.00 C ATOM 833 O GLY A 52 9.989 -3.644 -2.590 1.00 0.00 O ATOM 0 H GLY A 52 10.051 -0.046 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.149 -2.732 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.778 -2.152 -5.081 1.00 0.00 H new ATOM 837 N ASP A 53 11.004 -1.630 -2.335 1.00 0.00 N ATOM 838 CA ASP A 53 11.321 -1.850 -0.921 1.00 0.00 C ATOM 839 C ASP A 53 10.018 -2.057 -0.162 1.00 0.00 C ATOM 840 O ASP A 53 9.867 -2.981 0.647 1.00 0.00 O ATOM 841 CB ASP A 53 12.062 -0.654 -0.341 1.00 0.00 C ATOM 842 CG ASP A 53 12.247 -0.772 1.148 1.00 0.00 C ATOM 843 OD1 ASP A 53 13.222 -1.400 1.583 1.00 0.00 O ATOM 844 OD2 ASP A 53 11.419 -0.222 1.901 1.00 0.00 O ATOM 0 H ASP A 53 11.352 -0.750 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 53 11.962 -2.726 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.036 -0.564 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.510 0.258 -0.566 1.00 0.00 H new ATOM 849 N ARG A 54 9.055 -1.230 -0.499 1.00 0.00 N ATOM 850 CA ARG A 54 7.730 -1.325 0.058 1.00 0.00 C ATOM 851 C ARG A 54 6.988 -2.585 -0.369 1.00 0.00 C ATOM 852 O ARG A 54 6.066 -2.951 0.273 1.00 0.00 O ATOM 853 CB ARG A 54 6.898 -0.072 -0.218 1.00 0.00 C ATOM 854 CG ARG A 54 6.885 0.911 0.932 1.00 0.00 C ATOM 855 CD ARG A 54 8.272 1.373 1.333 1.00 0.00 C ATOM 856 NE ARG A 54 8.205 2.037 2.644 1.00 0.00 N ATOM 857 CZ ARG A 54 8.832 1.638 3.780 1.00 0.00 C ATOM 858 NH1 ARG A 54 9.823 0.740 3.759 1.00 0.00 N ATOM 859 NH2 ARG A 54 8.504 2.207 4.929 1.00 0.00 N ATOM 0 H ARG A 54 9.172 -0.471 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 54 7.872 -1.399 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.289 0.425 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.874 -0.368 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.285 1.778 0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.399 0.449 1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.952 0.522 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.669 2.059 0.585 1.00 0.00 H new ATOM 0 HE ARG A 54 7.632 2.879 2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.126 0.336 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.276 0.459 4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.789 2.934 4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.966 1.918 5.791 1.00 0.00 H new ATOM 873 N ILE A 55 7.408 -3.233 -1.452 1.00 0.00 N ATOM 874 CA ILE A 55 6.805 -4.494 -1.893 1.00 0.00 C ATOM 875 C ILE A 55 7.163 -5.566 -0.896 1.00 0.00 C ATOM 876 O ILE A 55 6.323 -6.375 -0.507 1.00 0.00 O ATOM 877 CB ILE A 55 7.292 -4.935 -3.317 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.867 -3.918 -4.382 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.771 -6.332 -3.675 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.380 -4.228 -5.780 1.00 0.00 C ATOM 0 H ILE A 55 8.169 -2.905 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 55 5.727 -4.346 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 55 8.381 -4.975 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.778 -3.870 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.222 -2.930 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.126 -6.609 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.135 -7.054 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.681 -6.327 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.035 -3.461 -6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.470 -4.246 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.004 -5.200 -6.098 1.00 0.00 H new ATOM 892 N ALA A 56 8.411 -5.540 -0.457 1.00 0.00 N ATOM 893 CA ALA A 56 8.877 -6.489 0.546 1.00 0.00 C ATOM 894 C ALA A 56 8.094 -6.295 1.857 1.00 0.00 C ATOM 895 O ALA A 56 7.485 -7.248 2.404 1.00 0.00 O ATOM 896 CB ALA A 56 10.370 -6.324 0.770 1.00 0.00 C ATOM 0 H ALA A 56 9.117 -4.877 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 56 8.700 -7.504 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.706 -7.038 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.900 -6.504 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.576 -5.311 1.115 1.00 0.00 H new ATOM 902 N GLN A 57 8.036 -5.038 2.302 1.00 0.00 N ATOM 903 CA GLN A 57 7.320 -4.678 3.528 1.00 0.00 C ATOM 904 C GLN A 57 5.824 -4.992 3.333 1.00 0.00 C ATOM 905 O GLN A 57 5.138 -5.366 4.257 1.00 0.00 O ATOM 906 CB GLN A 57 7.525 -3.174 3.818 1.00 0.00 C ATOM 907 CG GLN A 57 7.475 -2.734 5.304 1.00 0.00 C ATOM 908 CD GLN A 57 6.156 -2.975 6.036 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.263 -2.133 6.022 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.062 -4.063 6.748 1.00 0.00 N ATOM 0 H GLN A 57 8.478 -4.249 1.830 1.00 0.00 H new ATOM 0 HA GLN A 57 7.701 -5.249 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.491 -2.878 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.763 -2.616 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.266 -3.256 5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.705 -1.670 5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.820 -4.745 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.230 -4.232 7.313 1.00 0.00 H new ATOM 919 N PHE A 58 5.361 -4.880 2.099 1.00 0.00 N ATOM 920 CA PHE A 58 3.981 -5.150 1.751 1.00 0.00 C ATOM 921 C PHE A 58 3.682 -6.614 1.910 1.00 0.00 C ATOM 922 O PHE A 58 2.599 -6.957 2.296 1.00 0.00 O ATOM 923 CB PHE A 58 3.665 -4.682 0.331 1.00 0.00 C ATOM 924 CG PHE A 58 2.215 -4.708 -0.050 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.269 -4.020 0.696 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.805 -5.397 -1.158 1.00 0.00 C ATOM 927 CE1 PHE A 58 -0.059 -4.029 0.334 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.487 -5.408 -1.530 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.452 -4.723 -0.785 1.00 0.00 C ATOM 0 H PHE A 58 5.938 -4.597 1.307 1.00 0.00 H new ATOM 0 HA PHE A 58 3.342 -4.588 2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.036 -3.664 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.218 -5.307 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.579 -3.470 1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.530 -5.939 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.787 -3.494 0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.181 -5.955 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.491 -4.733 -1.080 1.00 0.00 H new ATOM 939 N TYR A 59 4.652 -7.485 1.618 1.00 0.00 N ATOM 940 CA TYR A 59 4.461 -8.904 1.885 1.00 0.00 C ATOM 941 C TYR A 59 4.189 -9.106 3.349 1.00 0.00 C ATOM 942 O TYR A 59 3.243 -9.799 3.713 1.00 0.00 O ATOM 943 CB TYR A 59 5.647 -9.775 1.463 1.00 0.00 C ATOM 944 CG TYR A 59 5.748 -10.069 -0.012 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.839 -10.922 -0.626 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.767 -9.539 -0.778 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.949 -11.232 -1.965 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.881 -9.834 -2.116 1.00 0.00 C ATOM 949 CZ TYR A 59 5.973 -10.682 -2.704 1.00 0.00 C ATOM 950 OH TYR A 59 6.093 -10.988 -4.040 1.00 0.00 O ATOM 0 H TYR A 59 5.553 -7.238 1.208 1.00 0.00 H new ATOM 0 HA TYR A 59 3.611 -9.222 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.567 -9.284 1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.589 -10.721 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.034 -11.349 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.488 -8.880 -0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.239 -11.900 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.679 -9.402 -2.701 1.00 0.00 H new ATOM 0 HH TYR A 59 5.487 -10.421 -4.561 1.00 0.00 H new ATOM 960 N THR A 60 4.985 -8.456 4.186 1.00 0.00 N ATOM 961 CA THR A 60 4.798 -8.555 5.626 1.00 0.00 C ATOM 962 C THR A 60 3.411 -7.995 6.035 1.00 0.00 C ATOM 963 O THR A 60 2.576 -8.703 6.607 1.00 0.00 O ATOM 964 CB THR A 60 5.868 -7.713 6.346 1.00 0.00 C ATOM 965 OG1 THR A 60 7.136 -7.918 5.718 1.00 0.00 O ATOM 966 CG2 THR A 60 5.966 -8.101 7.817 1.00 0.00 C ATOM 0 H THR A 60 5.760 -7.859 3.896 1.00 0.00 H new ATOM 0 HA THR A 60 4.875 -9.606 5.904 1.00 0.00 H new ATOM 0 HB THR A 60 5.583 -6.663 6.281 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.818 -7.381 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.728 -7.493 8.304 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.004 -7.934 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.236 -9.154 7.898 1.00 0.00 H new ATOM 974 N ASP A 61 3.178 -6.756 5.636 1.00 0.00 N ATOM 975 CA ASP A 61 2.009 -5.958 6.020 1.00 0.00 C ATOM 976 C ASP A 61 0.698 -6.590 5.540 1.00 0.00 C ATOM 977 O ASP A 61 -0.277 -6.654 6.277 1.00 0.00 O ATOM 978 CB ASP A 61 2.182 -4.533 5.442 1.00 0.00 C ATOM 979 CG ASP A 61 1.205 -3.501 5.974 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.186 -3.266 7.210 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.495 -2.879 5.187 1.00 0.00 O ATOM 0 H ASP A 61 3.814 -6.255 5.015 1.00 0.00 H new ATOM 0 HA ASP A 61 1.948 -5.917 7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.196 -4.193 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.080 -4.582 4.358 1.00 0.00 H new ATOM 986 N LEU A 62 0.707 -7.065 4.321 1.00 0.00 N ATOM 987 CA LEU A 62 -0.459 -7.661 3.685 1.00 0.00 C ATOM 988 C LEU A 62 -0.758 -9.083 4.201 1.00 0.00 C ATOM 989 O LEU A 62 -1.897 -9.413 4.506 1.00 0.00 O ATOM 990 CB LEU A 62 -0.235 -7.697 2.172 1.00 0.00 C ATOM 991 CG LEU A 62 -1.376 -8.178 1.307 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.536 -7.219 1.399 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.914 -8.319 -0.128 1.00 0.00 C ATOM 0 H LEU A 62 1.535 -7.052 3.725 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.323 -7.046 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.031 -6.691 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.627 -8.334 1.975 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.706 -9.154 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.353 -7.575 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.874 -7.155 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.221 -6.233 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.743 -8.666 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.568 -7.353 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.098 -9.040 -0.178 1.00 0.00 H new ATOM 1005 N ASN A 63 0.279 -9.916 4.295 1.00 0.00 N ATOM 1006 CA ASN A 63 0.106 -11.350 4.619 1.00 0.00 C ATOM 1007 C ASN A 63 -0.466 -11.581 6.006 1.00 0.00 C ATOM 1008 O ASN A 63 -1.300 -12.471 6.197 1.00 0.00 O ATOM 1009 CB ASN A 63 1.426 -12.118 4.469 1.00 0.00 C ATOM 1010 CG ASN A 63 1.292 -13.612 4.745 1.00 0.00 C ATOM 1011 OD1 ASN A 63 1.442 -14.073 5.884 1.00 0.00 O ATOM 1012 ND2 ASN A 63 1.051 -14.379 3.708 1.00 0.00 N ATOM 0 H ASN A 63 1.249 -9.633 4.153 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.618 -11.731 3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.808 -11.976 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.164 -11.695 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.982 -15.390 3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.933 -13.964 2.784 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.061 -10.757 6.953 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.463 -10.926 8.350 1.00 0.00 C ATOM 1021 C ILE A 64 -1.860 -10.363 8.620 1.00 0.00 C ATOM 1022 O ILE A 64 -2.321 -10.347 9.766 1.00 0.00 O ATOM 1023 CB ILE A 64 0.553 -10.268 9.326 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.625 -8.742 9.098 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.931 -10.913 9.169 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.563 -8.010 10.039 1.00 0.00 C ATOM 0 H ILE A 64 0.550 -9.957 6.786 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.481 -12.001 8.528 1.00 0.00 H new ATOM 0 HB ILE A 64 0.211 -10.434 10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.941 -8.555 8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.376 -8.324 9.204 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.633 -10.443 9.858 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.862 -11.978 9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.281 -10.778 8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.552 -6.945 9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.237 -8.162 11.068 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.575 -8.397 9.918 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.538 -9.940 7.585 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.835 -9.328 7.740 1.00 0.00 C ATOM 1040 C ASP A 65 -4.952 -10.235 7.237 1.00 0.00 C ATOM 1041 O ASP A 65 -4.765 -11.026 6.297 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.886 -7.956 7.060 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.278 -7.390 7.060 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.801 -7.042 8.145 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.911 -7.391 5.996 1.00 0.00 O ATOM 0 H ASP A 65 -2.213 -10.008 6.621 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.996 -9.178 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.213 -7.269 7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.528 -8.044 6.034 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.088 -10.151 7.898 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.240 -10.917 7.548 1.00 0.00 C ATOM 1052 C GLY A 66 -8.390 -10.055 7.056 1.00 0.00 C ATOM 1053 O GLY A 66 -9.546 -10.500 7.042 1.00 0.00 O ATOM 0 H GLY A 66 -6.227 -9.538 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.972 -11.635 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.567 -11.491 8.415 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.112 -8.816 6.700 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.108 -7.979 6.084 1.00 0.00 C ATOM 1059 C ARG A 67 -8.956 -8.235 4.595 1.00 0.00 C ATOM 1060 O ARG A 67 -9.940 -8.298 3.831 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.866 -6.489 6.408 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.959 -5.512 5.942 1.00 0.00 C ATOM 1063 CD ARG A 67 -11.208 -5.514 6.847 1.00 0.00 C ATOM 1064 NE ARG A 67 -11.960 -6.789 6.860 1.00 0.00 N ATOM 1065 CZ ARG A 67 -13.103 -6.999 7.562 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -13.673 -6.008 8.249 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -13.689 -8.191 7.546 1.00 0.00 N ATOM 0 H ARG A 67 -7.203 -8.372 6.829 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.111 -8.206 6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.751 -6.386 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.921 -6.188 5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.545 -4.504 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.256 -5.768 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.902 -5.278 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.877 -4.717 6.522 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.595 -7.562 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.250 -5.080 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.532 -6.178 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.280 -8.953 7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.548 -8.344 8.075 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.709 -8.402 4.209 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.329 -8.812 2.889 1.00 0.00 C ATOM 1083 C PHE A 68 -7.356 -10.321 2.785 1.00 0.00 C ATOM 1084 O PHE A 68 -7.596 -11.014 3.782 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.944 -8.314 2.561 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.945 -7.289 1.501 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.878 -7.668 0.175 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -6.011 -5.953 1.813 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.877 -6.734 -0.819 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -6.009 -5.013 0.824 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.942 -5.405 -0.494 1.00 0.00 C ATOM 0 H PHE A 68 -6.914 -8.250 4.829 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.039 -8.386 2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.488 -7.900 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.325 -9.154 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.826 -8.717 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.065 -5.645 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.825 -7.040 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.060 -3.964 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.941 -4.660 -1.276 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.120 -10.831 1.590 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.169 -12.244 1.350 1.00 0.00 C ATOM 1103 C LEU A 69 -6.613 -12.612 -0.019 1.00 0.00 C ATOM 1104 O LEU A 69 -6.977 -11.992 -1.037 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.634 -12.698 1.428 1.00 0.00 C ATOM 1106 CG LEU A 69 -8.948 -14.124 1.011 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.176 -15.117 1.851 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.435 -14.366 1.117 1.00 0.00 C ATOM 0 H LEU A 69 -6.891 -10.272 0.768 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.556 -12.739 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.973 -12.565 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.228 -12.027 0.807 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.640 -14.265 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.419 -16.130 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.107 -14.944 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.445 -14.993 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.659 -15.390 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.756 -14.211 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.964 -13.673 0.463 1.00 0.00 H new ATOM 1120 N ALA A 70 -5.721 -13.591 -0.052 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.344 -14.195 -1.304 1.00 0.00 C ATOM 1122 C ALA A 70 -6.311 -15.290 -1.531 1.00 0.00 C ATOM 1123 O ALA A 70 -6.179 -16.396 -0.974 1.00 0.00 O ATOM 1124 CB ALA A 70 -3.934 -14.772 -1.336 1.00 0.00 C ATOM 0 H ALA A 70 -5.254 -13.975 0.769 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.354 -13.421 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.740 -15.205 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.212 -13.979 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.840 -15.545 -0.574 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.321 -14.972 -2.260 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.344 -15.910 -2.581 1.00 0.00 C ATOM 1132 C LEU A 71 -7.802 -17.047 -3.474 1.00 0.00 C ATOM 1133 O LEU A 71 -6.617 -17.039 -3.818 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.603 -15.162 -3.095 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.392 -14.030 -4.100 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.209 -14.547 -5.500 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.520 -13.018 -4.015 1.00 0.00 C ATOM 0 H LEU A 71 -7.465 -14.043 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.681 -16.437 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.267 -15.896 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.126 -14.751 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.466 -13.521 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.062 -13.709 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.337 -15.200 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.095 -15.107 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.349 -12.221 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.468 -13.510 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.554 -12.595 -3.011 1.00 0.00 H new ATOM 1149 N SER A 72 -8.648 -17.993 -3.815 1.00 0.00 N ATOM 1150 CA SER A 72 -8.297 -19.259 -4.510 1.00 0.00 C ATOM 1151 C SER A 72 -7.335 -19.191 -5.755 1.00 0.00 C ATOM 1152 O SER A 72 -6.961 -20.240 -6.299 1.00 0.00 O ATOM 1153 CB SER A 72 -9.574 -19.999 -4.858 1.00 0.00 C ATOM 1154 OG SER A 72 -10.353 -20.217 -3.699 1.00 0.00 O ATOM 0 H SER A 72 -9.646 -17.920 -3.618 1.00 0.00 H new ATOM 0 HA SER A 72 -7.683 -19.793 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.147 -19.424 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.332 -20.954 -5.325 1.00 0.00 H new ATOM 0 HG SER A 72 -11.174 -20.694 -3.942 1.00 0.00 H new ATOM 1160 N ASP A 73 -6.963 -18.015 -6.217 1.00 0.00 N ATOM 1161 CA ASP A 73 -5.992 -17.908 -7.308 1.00 0.00 C ATOM 1162 C ASP A 73 -4.774 -17.105 -6.941 1.00 0.00 C ATOM 1163 O ASP A 73 -4.002 -16.718 -7.811 1.00 0.00 O ATOM 1164 CB ASP A 73 -6.601 -17.451 -8.642 1.00 0.00 C ATOM 1165 CG ASP A 73 -7.382 -18.532 -9.347 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -8.593 -18.696 -9.083 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -6.806 -19.254 -10.181 1.00 0.00 O ATOM 0 H ASP A 73 -7.309 -17.123 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.655 -18.932 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.257 -16.599 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.802 -17.104 -9.298 1.00 0.00 H new ATOM 1172 N GLN A 74 -4.581 -16.875 -5.641 1.00 0.00 N ATOM 1173 CA GLN A 74 -3.409 -16.141 -5.101 1.00 0.00 C ATOM 1174 C GLN A 74 -3.430 -14.678 -5.484 1.00 0.00 C ATOM 1175 O GLN A 74 -2.494 -13.921 -5.223 1.00 0.00 O ATOM 1176 CB GLN A 74 -2.048 -16.827 -5.415 1.00 0.00 C ATOM 1177 CG GLN A 74 -1.672 -17.959 -4.440 1.00 0.00 C ATOM 1178 CD GLN A 74 -2.674 -19.105 -4.384 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -3.250 -19.457 -5.502 1.00 0.00 O flip ATOM 1180 NE2 GLN A 74 -2.868 -19.714 -3.335 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.230 -17.190 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.503 -16.183 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.082 -17.231 -6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.261 -16.073 -5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.699 -18.358 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.564 -17.539 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.403 -19.414 -2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.494 -20.519 -3.321 1.00 0.00 H new ATOM 1189 N THR A 75 -4.505 -14.308 -6.100 1.00 0.00 N ATOM 1190 CA THR A 75 -4.794 -12.953 -6.410 1.00 0.00 C ATOM 1191 C THR A 75 -5.412 -12.350 -5.174 1.00 0.00 C ATOM 1192 O THR A 75 -6.201 -13.029 -4.485 1.00 0.00 O ATOM 1193 CB THR A 75 -5.772 -12.881 -7.590 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.835 -13.823 -7.371 1.00 0.00 O ATOM 1195 CG2 THR A 75 -5.073 -13.190 -8.907 1.00 0.00 C ATOM 0 H THR A 75 -5.225 -14.962 -6.409 1.00 0.00 H new ATOM 0 HA THR A 75 -3.893 -12.411 -6.697 1.00 0.00 H new ATOM 0 HB THR A 75 -6.171 -11.869 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.467 -13.783 -8.119 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.793 -13.131 -9.724 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.275 -12.467 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.650 -14.194 -8.868 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.106 -11.131 -4.892 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.533 -10.563 -3.665 1.00 0.00 C ATOM 1205 C TRP A 76 -6.809 -9.804 -3.840 1.00 0.00 C ATOM 1206 O TRP A 76 -7.063 -9.212 -4.892 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.431 -9.698 -3.049 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.215 -10.496 -2.656 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.188 -10.887 -3.470 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -2.907 -11.003 -1.351 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.267 -11.611 -2.753 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.681 -11.691 -1.448 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.545 -10.935 -0.107 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.086 -12.313 -0.349 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -2.954 -11.553 0.980 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.736 -12.230 0.854 1.00 0.00 C ATOM 0 H TRP A 76 -4.563 -10.511 -5.494 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.735 -11.374 -2.965 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.139 -8.927 -3.762 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.825 -9.187 -2.170 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.112 -10.660 -4.523 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.413 -12.023 -3.130 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.482 -10.409 0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.148 -12.840 -0.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.441 -11.512 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.299 -12.697 1.724 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.632 -9.910 -2.855 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.863 -9.221 -2.811 1.00 0.00 C ATOM 1229 C GLY A 77 -9.235 -8.990 -1.385 1.00 0.00 C ATOM 1230 O GLY A 77 -8.455 -9.301 -0.489 1.00 0.00 O ATOM 0 H GLY A 77 -7.457 -10.496 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.782 -8.271 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.638 -9.800 -3.314 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.393 -8.484 -1.158 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.837 -8.214 0.177 1.00 0.00 C ATOM 1236 C LEU A 78 -11.710 -9.321 0.663 1.00 0.00 C ATOM 1237 O LEU A 78 -12.624 -9.742 -0.029 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.594 -6.893 0.253 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.786 -5.639 -0.042 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.684 -4.421 -0.015 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.659 -5.490 0.966 1.00 0.00 C ATOM 0 H LEU A 78 -11.065 -8.243 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.955 -8.141 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.429 -6.935 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.020 -6.799 1.252 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.351 -5.728 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.094 -3.529 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.465 -4.528 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.141 -4.327 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.088 -4.588 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.076 -5.416 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.002 -6.358 0.909 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.430 -9.782 1.848 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.215 -10.815 2.486 1.00 0.00 C ATOM 1255 C ARG A 79 -13.579 -10.240 2.874 1.00 0.00 C ATOM 1256 O ARG A 79 -14.593 -10.927 2.856 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.464 -11.310 3.732 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.255 -12.238 4.623 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.478 -12.594 5.871 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.361 -13.091 6.929 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.460 -12.546 8.152 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -11.630 -11.559 8.523 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -13.381 -12.991 8.993 1.00 0.00 N ATOM 0 H ARG A 79 -10.644 -9.452 2.409 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.368 -11.653 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.557 -11.823 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.152 -10.445 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.197 -11.764 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.505 -13.147 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.732 -13.352 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.939 -11.717 6.228 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.939 -13.906 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.920 -11.219 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.710 -11.148 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.009 -13.743 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.462 -12.582 9.924 1.00 0.00 H new ATOM 1277 N SER A 80 -13.575 -8.950 3.132 1.00 0.00 N ATOM 1278 CA SER A 80 -14.713 -8.206 3.607 1.00 0.00 C ATOM 1279 C SER A 80 -15.821 -7.982 2.556 1.00 0.00 C ATOM 1280 O SER A 80 -16.872 -7.438 2.880 1.00 0.00 O ATOM 1281 CB SER A 80 -14.191 -6.904 4.156 1.00 0.00 C ATOM 1282 OG SER A 80 -13.115 -6.435 3.336 1.00 0.00 O ATOM 0 H SER A 80 -12.744 -8.371 3.011 1.00 0.00 H new ATOM 0 HA SER A 80 -15.212 -8.794 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.990 -6.163 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.847 -7.041 5.181 1.00 0.00 H new ATOM 0 HG SER A 80 -12.777 -5.587 3.693 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.591 -8.384 1.303 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.660 -8.296 0.293 1.00 0.00 C ATOM 1290 C TRP A 81 -17.656 -9.408 0.525 1.00 0.00 C ATOM 1291 O TRP A 81 -18.803 -9.351 0.091 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.135 -8.460 -1.135 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.254 -7.380 -1.650 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.411 -6.035 -1.483 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.118 -7.557 -2.497 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.420 -5.366 -2.151 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.616 -6.277 -2.785 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.463 -8.682 -3.034 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.505 -6.081 -3.584 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.359 -8.476 -3.829 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.893 -7.185 -4.097 1.00 0.00 C ATOM 0 H TRP A 81 -14.706 -8.763 0.966 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.108 -7.308 0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.588 -9.401 -1.190 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.991 -8.549 -1.804 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.198 -5.568 -0.910 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.300 -4.353 -2.173 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.818 -9.681 -2.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.135 -5.088 -3.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.844 -9.325 -4.253 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.025 -7.060 -4.727 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.196 -10.411 1.203 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.923 -11.615 1.424 1.00 0.00 C ATOM 1314 C TYR A 82 -17.925 -11.816 2.949 1.00 0.00 C ATOM 1315 O TYR A 82 -17.462 -10.920 3.656 1.00 0.00 O ATOM 1316 CB TYR A 82 -17.134 -12.756 0.769 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.398 -12.433 -0.536 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -15.125 -11.875 -0.500 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -16.922 -12.756 -1.773 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -14.407 -11.659 -1.640 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -16.206 -12.523 -2.929 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.943 -11.977 -2.848 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.197 -11.780 -3.983 1.00 0.00 O ATOM 0 H TYR A 82 -16.271 -10.412 1.632 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.935 -11.587 1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.402 -13.119 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.824 -13.577 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.694 -11.606 0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -17.906 -13.197 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.415 -11.236 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.632 -12.767 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.716 -12.055 -4.767 1.00 0.00 H new