USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 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 72 SER OG : rot 99:sc= 1.25 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.45 USER MOD Set 2.1: A 34 GLN : amide:sc= -1.17! C(o=-0.041!,f=-10!) USER MOD Set 2.2: A 38 ASN : amide:sc= 0.229 K(o=-0.041,f=-11!) USER MOD Set 2.3: A 48 LYS NZ :NH3+ -163:sc= 0.904 (180deg=-0.631) USER MOD Set 3.1: A 7 SER OG : rot -98:sc= 1.24 USER MOD Set 3.2: A 8 GLN :FLIP amide:sc= -0.231 F(o=-2.5!,f=1) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.15) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -166:sc= -0.889 (180deg=-1.32) USER MOD Single : A 21 HIS : +bothHN:sc= -1.67! C(o=-1.7!,f=-15!) USER MOD Single : A 27 HIS : +bothHN:sc= 0.815! C(o=0.81!,f=-8.9!) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0.686 (180deg=0.669) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 0.226 (180deg=0.114) USER MOD Single : A 57 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.5) USER MOD Single : A 59 TYR OH : rot 93:sc= 0.0711 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.123 F(o=-1.4,f=-0.12) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -9.896 6.500 -2.039 1.00 0.00 N ATOM 11 CA ILE A 3 -8.464 6.315 -1.899 1.00 0.00 C ATOM 12 C ILE A 3 -7.639 7.187 -2.826 1.00 0.00 C ATOM 13 O ILE A 3 -6.693 7.828 -2.403 1.00 0.00 O ATOM 14 CB ILE A 3 -8.065 4.836 -2.110 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.544 4.688 -2.277 1.00 0.00 C ATOM 16 CG2 ILE A 3 -8.838 4.186 -3.272 1.00 0.00 C ATOM 17 CD1 ILE A 3 -6.100 3.300 -2.597 1.00 0.00 C ATOM 0 HA ILE A 3 -8.240 6.622 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.349 4.293 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.209 5.357 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.055 5.012 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.524 3.148 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.907 4.222 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.631 4.728 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.015 3.279 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.402 2.627 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.558 2.978 -3.532 1.00 0.00 H new ATOM 29 N LYS A 4 -8.010 7.233 -4.069 1.00 0.00 N ATOM 30 CA LYS A 4 -7.194 7.877 -5.072 1.00 0.00 C ATOM 31 C LYS A 4 -7.180 9.410 -4.947 1.00 0.00 C ATOM 32 O LYS A 4 -6.431 10.089 -5.624 1.00 0.00 O ATOM 33 CB LYS A 4 -7.585 7.387 -6.462 1.00 0.00 C ATOM 34 CG LYS A 4 -7.283 5.904 -6.715 1.00 0.00 C ATOM 35 CD LYS A 4 -7.762 5.474 -8.095 1.00 0.00 C ATOM 36 CE LYS A 4 -7.473 4.004 -8.394 1.00 0.00 C ATOM 37 NZ LYS A 4 -6.023 3.693 -8.468 1.00 0.00 N ATOM 0 H LYS A 4 -8.878 6.831 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.158 7.584 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.651 7.559 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.060 7.985 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.211 5.728 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.769 5.296 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.835 5.651 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.281 6.095 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.931 3.387 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.944 3.733 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.885 2.805 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.527 4.464 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.640 3.592 -7.506 1.00 0.00 H new ATOM 51 N GLN A 5 -8.000 9.913 -4.050 1.00 0.00 N ATOM 52 CA GLN A 5 -8.067 11.325 -3.735 1.00 0.00 C ATOM 53 C GLN A 5 -7.064 11.699 -2.644 1.00 0.00 C ATOM 54 O GLN A 5 -6.899 12.879 -2.329 1.00 0.00 O ATOM 55 CB GLN A 5 -9.474 11.683 -3.304 1.00 0.00 C ATOM 56 CG GLN A 5 -9.960 10.864 -2.130 1.00 0.00 C ATOM 57 CD GLN A 5 -11.436 10.957 -1.960 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.960 11.790 -1.227 1.00 0.00 O ATOM 59 NE2 GLN A 5 -12.116 10.147 -2.699 1.00 0.00 N ATOM 0 H GLN A 5 -8.650 9.343 -3.509 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.807 11.891 -4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.509 12.740 -3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.153 11.540 -4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.676 9.821 -2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.468 11.207 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.634 9.471 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.135 10.182 -2.690 1.00 0.00 H new ATOM 68 N TYR A 6 -6.421 10.707 -2.044 1.00 0.00 N ATOM 69 CA TYR A 6 -5.375 10.993 -1.086 1.00 0.00 C ATOM 70 C TYR A 6 -4.155 11.379 -1.869 1.00 0.00 C ATOM 71 O TYR A 6 -3.819 10.717 -2.849 1.00 0.00 O ATOM 72 CB TYR A 6 -5.012 9.790 -0.211 1.00 0.00 C ATOM 73 CG TYR A 6 -6.062 9.288 0.754 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.427 10.025 1.870 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.631 8.039 0.585 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.331 9.523 2.786 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.538 7.534 1.479 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.885 8.275 2.583 1.00 0.00 C ATOM 79 OH TYR A 6 -8.776 7.759 3.498 1.00 0.00 O ATOM 0 H TYR A 6 -6.604 9.716 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.730 11.781 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.738 8.965 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.123 10.048 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.999 11.004 2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.353 7.446 -0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.603 10.103 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.977 6.561 1.317 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.071 6.872 3.203 1.00 0.00 H new ATOM 89 N SER A 7 -3.502 12.422 -1.465 1.00 0.00 N ATOM 90 CA SER A 7 -2.353 12.868 -2.175 1.00 0.00 C ATOM 91 C SER A 7 -1.144 11.972 -1.843 1.00 0.00 C ATOM 92 O SER A 7 -1.126 11.239 -0.830 1.00 0.00 O ATOM 93 CB SER A 7 -2.121 14.361 -1.928 1.00 0.00 C ATOM 94 OG SER A 7 -1.063 14.874 -2.717 1.00 0.00 O ATOM 0 H SER A 7 -3.747 12.979 -0.646 1.00 0.00 H new ATOM 0 HA SER A 7 -2.510 12.770 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.036 14.911 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.898 14.523 -0.874 1.00 0.00 H new ATOM 0 HG SER A 7 -0.241 14.902 -2.184 1.00 0.00 H new ATOM 100 N GLN A 8 -0.156 12.041 -2.687 1.00 0.00 N ATOM 101 CA GLN A 8 0.974 11.137 -2.681 1.00 0.00 C ATOM 102 C GLN A 8 1.839 11.206 -1.407 1.00 0.00 C ATOM 103 O GLN A 8 2.486 10.211 -1.044 1.00 0.00 O ATOM 104 CB GLN A 8 1.838 11.338 -3.922 1.00 0.00 C ATOM 105 CG GLN A 8 2.666 12.600 -3.933 1.00 0.00 C ATOM 106 CD GLN A 8 1.858 13.882 -4.088 1.00 0.00 C ATOM 107 OE1 GLN A 8 0.764 13.822 -4.827 1.00 0.00 O flip ATOM 108 NE2 GLN A 8 2.240 14.929 -3.571 1.00 0.00 N flip ATOM 0 H GLN A 8 -0.106 12.746 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 8 0.541 10.137 -2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.507 10.483 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.191 11.340 -4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.236 12.654 -3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.388 12.539 -4.747 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.089 14.939 -3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.708 15.788 -3.706 1.00 0.00 H new ATOM 117 N GLU A 9 1.867 12.350 -0.743 1.00 0.00 N ATOM 118 CA GLU A 9 2.654 12.504 0.477 1.00 0.00 C ATOM 119 C GLU A 9 2.017 11.715 1.597 1.00 0.00 C ATOM 120 O GLU A 9 2.699 11.058 2.368 1.00 0.00 O ATOM 121 CB GLU A 9 2.849 13.992 0.878 1.00 0.00 C ATOM 122 CG GLU A 9 1.615 14.766 1.337 1.00 0.00 C ATOM 123 CD GLU A 9 0.503 14.687 0.358 1.00 0.00 C ATOM 124 OE1 GLU A 9 0.723 14.986 -0.825 1.00 0.00 O ATOM 125 OE2 GLU A 9 -0.564 14.191 0.733 1.00 0.00 O ATOM 0 H GLU A 9 1.356 13.186 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 9 3.651 12.110 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.587 14.031 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.277 14.517 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.279 14.374 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.883 15.811 1.496 1.00 0.00 H new ATOM 132 N GLU A 10 0.714 11.760 1.629 1.00 0.00 N ATOM 133 CA GLU A 10 -0.088 11.056 2.575 1.00 0.00 C ATOM 134 C GLU A 10 0.141 9.574 2.394 1.00 0.00 C ATOM 135 O GLU A 10 0.501 8.848 3.313 1.00 0.00 O ATOM 136 CB GLU A 10 -1.527 11.341 2.228 1.00 0.00 C ATOM 137 CG GLU A 10 -2.525 10.859 3.246 1.00 0.00 C ATOM 138 CD GLU A 10 -2.432 11.653 4.517 1.00 0.00 C ATOM 139 OE1 GLU A 10 -1.496 11.451 5.304 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.282 12.518 4.734 1.00 0.00 O ATOM 0 H GLU A 10 0.166 12.311 0.969 1.00 0.00 H new ATOM 0 HA GLU A 10 0.154 11.356 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.650 12.416 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.754 10.877 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.532 10.939 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.350 9.804 3.459 1.00 0.00 H new ATOM 147 N LEU A 11 -0.035 9.166 1.173 1.00 0.00 N ATOM 148 CA LEU A 11 0.058 7.796 0.766 1.00 0.00 C ATOM 149 C LEU A 11 1.406 7.150 1.094 1.00 0.00 C ATOM 150 O LEU A 11 1.441 6.008 1.510 1.00 0.00 O ATOM 151 CB LEU A 11 -0.240 7.712 -0.703 1.00 0.00 C ATOM 152 CG LEU A 11 -1.659 8.071 -1.119 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.726 8.216 -2.605 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.637 6.997 -0.671 1.00 0.00 C ATOM 0 H LEU A 11 -0.255 9.801 0.406 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.676 7.227 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.450 8.370 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.031 6.696 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.931 9.013 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.743 8.473 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.045 9.005 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.438 7.276 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.646 7.273 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.366 6.045 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.601 6.902 0.414 1.00 0.00 H new ATOM 166 N LYS A 12 2.502 7.886 0.950 1.00 0.00 N ATOM 167 CA LYS A 12 3.820 7.293 1.219 1.00 0.00 C ATOM 168 C LYS A 12 4.067 7.051 2.721 1.00 0.00 C ATOM 169 O LYS A 12 4.931 6.259 3.084 1.00 0.00 O ATOM 170 CB LYS A 12 4.988 8.107 0.612 1.00 0.00 C ATOM 171 CG LYS A 12 5.084 9.545 1.103 1.00 0.00 C ATOM 172 CD LYS A 12 6.462 10.153 0.864 1.00 0.00 C ATOM 173 CE LYS A 12 6.798 10.292 -0.607 1.00 0.00 C ATOM 174 NZ LYS A 12 8.152 10.839 -0.796 1.00 0.00 N ATOM 0 H LYS A 12 2.515 8.863 0.659 1.00 0.00 H new ATOM 0 HA LYS A 12 3.797 6.325 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.924 7.597 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.883 8.114 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.331 10.149 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.856 9.578 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.507 11.134 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.216 9.532 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.725 9.319 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.069 10.944 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.354 10.923 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.212 11.778 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.848 10.203 -0.356 1.00 0.00 H new ATOM 188 N GLU A 13 3.320 7.721 3.582 1.00 0.00 N ATOM 189 CA GLU A 13 3.531 7.570 5.018 1.00 0.00 C ATOM 190 C GLU A 13 2.399 6.806 5.712 1.00 0.00 C ATOM 191 O GLU A 13 2.514 6.439 6.896 1.00 0.00 O ATOM 192 CB GLU A 13 3.778 8.916 5.686 1.00 0.00 C ATOM 193 CG GLU A 13 2.729 9.954 5.373 1.00 0.00 C ATOM 194 CD GLU A 13 2.910 11.216 6.152 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.877 11.968 5.884 1.00 0.00 O ATOM 196 OE2 GLU A 13 2.086 11.499 7.029 1.00 0.00 O ATOM 0 H GLU A 13 2.573 8.365 3.322 1.00 0.00 H new ATOM 0 HA GLU A 13 4.428 6.962 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.823 8.772 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.752 9.292 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.758 10.183 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.742 9.541 5.583 1.00 0.00 H new ATOM 203 N MET A 14 1.311 6.571 5.004 1.00 0.00 N ATOM 204 CA MET A 14 0.221 5.794 5.571 1.00 0.00 C ATOM 205 C MET A 14 0.522 4.323 5.442 1.00 0.00 C ATOM 206 O MET A 14 1.535 3.939 4.842 1.00 0.00 O ATOM 207 CB MET A 14 -1.141 6.095 4.929 1.00 0.00 C ATOM 208 CG MET A 14 -1.697 7.480 5.208 1.00 0.00 C ATOM 209 SD MET A 14 -3.427 7.645 4.685 1.00 0.00 S ATOM 210 CE MET A 14 -3.310 7.270 2.935 1.00 0.00 C ATOM 0 H MET A 14 1.157 6.900 4.051 1.00 0.00 H new ATOM 0 HA MET A 14 0.148 6.082 6.620 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.052 5.968 3.850 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.861 5.355 5.279 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.620 7.692 6.274 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.091 8.224 4.691 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.232 7.570 2.436 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.470 7.813 2.502 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.157 6.199 2.802 1.00 0.00 H new ATOM 220 N ALA A 15 -0.327 3.488 6.010 1.00 0.00 N ATOM 221 CA ALA A 15 -0.137 2.072 5.875 1.00 0.00 C ATOM 222 C ALA A 15 -0.498 1.687 4.455 1.00 0.00 C ATOM 223 O ALA A 15 -1.609 1.984 3.986 1.00 0.00 O ATOM 224 CB ALA A 15 -1.029 1.334 6.867 1.00 0.00 C ATOM 0 H ALA A 15 -1.140 3.767 6.559 1.00 0.00 H new ATOM 0 HA ALA A 15 0.898 1.803 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.881 0.259 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.772 1.637 7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.073 1.578 6.669 1.00 0.00 H new ATOM 230 N LEU A 16 0.392 0.990 3.792 1.00 0.00 N ATOM 231 CA LEU A 16 0.171 0.625 2.410 1.00 0.00 C ATOM 232 C LEU A 16 -0.893 -0.428 2.256 1.00 0.00 C ATOM 233 O LEU A 16 -1.583 -0.478 1.242 1.00 0.00 O ATOM 234 CB LEU A 16 1.458 0.325 1.578 1.00 0.00 C ATOM 235 CG LEU A 16 2.420 -0.792 2.030 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.353 -1.123 0.882 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.270 -0.356 3.212 1.00 0.00 C ATOM 0 H LEU A 16 1.275 0.664 4.184 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.214 1.537 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.141 0.089 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.034 1.249 1.526 1.00 0.00 H new ATOM 0 HG LEU A 16 1.822 -1.653 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.040 -1.912 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.770 -1.461 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.921 -0.234 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.935 -1.170 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.863 0.515 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.623 -0.100 4.051 1.00 0.00 H new ATOM 249 N VAL A 17 -1.068 -1.248 3.276 1.00 0.00 N ATOM 250 CA VAL A 17 -2.110 -2.254 3.233 1.00 0.00 C ATOM 251 C VAL A 17 -3.489 -1.591 3.399 1.00 0.00 C ATOM 252 O VAL A 17 -4.495 -2.093 2.905 1.00 0.00 O ATOM 253 CB VAL A 17 -1.910 -3.370 4.285 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.246 -2.904 5.701 1.00 0.00 C ATOM 255 CG2 VAL A 17 -2.678 -4.619 3.906 1.00 0.00 C ATOM 0 H VAL A 17 -0.512 -1.238 4.131 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.053 -2.736 2.257 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.849 -3.620 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.089 -3.725 6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.601 -2.068 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.288 -2.587 5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.520 -5.387 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.741 -4.387 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.327 -4.983 2.940 1.00 0.00 H new ATOM 265 N GLU A 18 -3.517 -0.432 4.061 1.00 0.00 N ATOM 266 CA GLU A 18 -4.754 0.297 4.248 1.00 0.00 C ATOM 267 C GLU A 18 -5.138 0.909 2.911 1.00 0.00 C ATOM 268 O GLU A 18 -6.301 0.867 2.490 1.00 0.00 O ATOM 269 CB GLU A 18 -4.610 1.362 5.350 1.00 0.00 C ATOM 270 CG GLU A 18 -5.908 2.076 5.702 1.00 0.00 C ATOM 271 CD GLU A 18 -6.995 1.108 6.119 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.688 0.572 5.255 1.00 0.00 O ATOM 273 OE2 GLU A 18 -7.146 0.827 7.311 1.00 0.00 O ATOM 0 H GLU A 18 -2.696 0.013 4.472 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.545 -0.375 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.214 0.888 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.876 2.102 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.724 2.784 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.248 2.654 4.843 1.00 0.00 H new ATOM 280 N ILE A 19 -4.121 1.405 2.221 1.00 0.00 N ATOM 281 CA ILE A 19 -4.256 1.907 0.865 1.00 0.00 C ATOM 282 C ILE A 19 -4.805 0.774 -0.012 1.00 0.00 C ATOM 283 O ILE A 19 -5.792 0.935 -0.715 1.00 0.00 O ATOM 284 CB ILE A 19 -2.866 2.369 0.320 1.00 0.00 C ATOM 285 CG1 ILE A 19 -2.295 3.488 1.203 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.951 2.818 -1.136 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.920 3.963 0.786 1.00 0.00 C ATOM 0 H ILE A 19 -3.173 1.470 2.591 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.933 2.761 0.850 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.192 1.513 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.981 4.335 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.249 3.135 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.965 3.132 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.303 1.990 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.646 3.653 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.588 4.753 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.218 3.130 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.962 4.348 -0.233 1.00 0.00 H new ATOM 299 N ALA A 20 -4.188 -0.388 0.108 1.00 0.00 N ATOM 300 CA ALA A 20 -4.593 -1.568 -0.627 1.00 0.00 C ATOM 301 C ALA A 20 -6.050 -1.974 -0.323 1.00 0.00 C ATOM 302 O ALA A 20 -6.753 -2.433 -1.211 1.00 0.00 O ATOM 303 CB ALA A 20 -3.633 -2.717 -0.362 1.00 0.00 C ATOM 0 H ALA A 20 -3.388 -0.538 0.722 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.553 -1.322 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.953 -3.595 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.629 -2.432 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.628 -2.948 0.703 1.00 0.00 H new ATOM 309 N HIS A 21 -6.508 -1.773 0.927 1.00 0.00 N ATOM 310 CA HIS A 21 -7.905 -2.104 1.284 1.00 0.00 C ATOM 311 C HIS A 21 -8.851 -1.295 0.424 1.00 0.00 C ATOM 312 O HIS A 21 -9.700 -1.853 -0.270 1.00 0.00 O ATOM 313 CB HIS A 21 -8.264 -1.819 2.757 1.00 0.00 C ATOM 314 CG HIS A 21 -7.491 -2.549 3.815 1.00 0.00 C ATOM 315 ND1 HIS A 21 -7.103 -1.949 4.975 1.00 0.00 N ATOM 316 CD2 HIS A 21 -7.078 -3.830 3.913 1.00 0.00 C ATOM 317 CE1 HIS A 21 -6.483 -2.810 5.742 1.00 0.00 C ATOM 318 NE2 HIS A 21 -6.455 -3.959 5.125 1.00 0.00 N ATOM 0 H HIS A 21 -5.949 -1.393 1.691 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.003 -3.177 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.144 -0.750 2.931 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.321 -2.048 2.895 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -7.271 -0.971 5.212 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.213 -4.607 3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.067 -2.604 6.717 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -6.036 -4.816 5.487 1.00 0.00 H new ATOM 327 N GLU A 22 -8.658 0.020 0.437 1.00 0.00 N ATOM 328 CA GLU A 22 -9.479 0.935 -0.349 1.00 0.00 C ATOM 329 C GLU A 22 -9.363 0.674 -1.825 1.00 0.00 C ATOM 330 O GLU A 22 -10.312 0.833 -2.555 1.00 0.00 O ATOM 331 CB GLU A 22 -9.086 2.356 -0.100 1.00 0.00 C ATOM 332 CG GLU A 22 -9.761 3.013 1.077 1.00 0.00 C ATOM 333 CD GLU A 22 -11.249 3.161 0.839 1.00 0.00 C ATOM 334 OE1 GLU A 22 -11.661 4.013 0.006 1.00 0.00 O ATOM 335 OE2 GLU A 22 -12.030 2.431 1.455 1.00 0.00 O ATOM 0 H GLU A 22 -7.933 0.479 0.989 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.508 0.764 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.007 2.396 0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.304 2.939 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.590 2.420 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.318 3.993 1.253 1.00 0.00 H new ATOM 342 N LEU A 23 -8.186 0.301 -2.252 1.00 0.00 N ATOM 343 CA LEU A 23 -7.910 0.017 -3.644 1.00 0.00 C ATOM 344 C LEU A 23 -8.819 -1.111 -4.134 1.00 0.00 C ATOM 345 O LEU A 23 -9.493 -1.006 -5.190 1.00 0.00 O ATOM 346 CB LEU A 23 -6.440 -0.368 -3.762 1.00 0.00 C ATOM 347 CG LEU A 23 -5.845 -0.513 -5.149 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.052 0.767 -5.938 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.372 -0.774 -4.994 1.00 0.00 C ATOM 0 H LEU A 23 -7.379 0.183 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.107 0.891 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.856 0.380 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.301 -1.315 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.327 -1.332 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.622 0.655 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.119 0.972 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.564 1.595 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.916 -0.883 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.908 0.061 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.223 -1.690 -4.422 1.00 0.00 H new ATOM 361 N PHE A 24 -8.892 -2.150 -3.346 1.00 0.00 N ATOM 362 CA PHE A 24 -9.727 -3.263 -3.668 1.00 0.00 C ATOM 363 C PHE A 24 -11.178 -2.954 -3.471 1.00 0.00 C ATOM 364 O PHE A 24 -11.983 -3.347 -4.274 1.00 0.00 O ATOM 365 CB PHE A 24 -9.303 -4.522 -2.940 1.00 0.00 C ATOM 366 CG PHE A 24 -8.072 -5.104 -3.527 1.00 0.00 C ATOM 367 CD1 PHE A 24 -6.833 -4.707 -3.100 1.00 0.00 C ATOM 368 CD2 PHE A 24 -8.162 -6.035 -4.526 1.00 0.00 C ATOM 369 CE1 PHE A 24 -5.699 -5.228 -3.658 1.00 0.00 C ATOM 370 CE2 PHE A 24 -7.036 -6.558 -5.091 1.00 0.00 C ATOM 371 CZ PHE A 24 -5.804 -6.161 -4.661 1.00 0.00 C ATOM 0 H PHE A 24 -8.377 -2.244 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.594 -3.459 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.133 -4.295 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.108 -5.255 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.751 -3.973 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.133 -6.359 -4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.727 -4.908 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.120 -7.289 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.914 -6.579 -5.108 1.00 0.00 H new ATOM 381 N GLU A 25 -11.505 -2.208 -2.444 1.00 0.00 N ATOM 382 CA GLU A 25 -12.890 -1.840 -2.184 1.00 0.00 C ATOM 383 C GLU A 25 -13.428 -0.856 -3.252 1.00 0.00 C ATOM 384 O GLU A 25 -14.640 -0.770 -3.496 1.00 0.00 O ATOM 385 CB GLU A 25 -13.044 -1.307 -0.745 1.00 0.00 C ATOM 386 CG GLU A 25 -14.446 -0.833 -0.365 1.00 0.00 C ATOM 387 CD GLU A 25 -15.554 -1.869 -0.555 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.349 -2.930 -1.201 1.00 0.00 O ATOM 389 OE2 GLU A 25 -16.693 -1.607 -0.099 1.00 0.00 O ATOM 0 H GLU A 25 -10.835 -1.839 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.508 -2.734 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.745 -2.093 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.349 -0.478 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.437 -0.521 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.688 0.048 -0.959 1.00 0.00 H new ATOM 396 N GLU A 26 -12.529 -0.124 -3.872 1.00 0.00 N ATOM 397 CA GLU A 26 -12.864 0.764 -4.968 1.00 0.00 C ATOM 398 C GLU A 26 -13.319 -0.103 -6.129 1.00 0.00 C ATOM 399 O GLU A 26 -14.414 0.060 -6.659 1.00 0.00 O ATOM 400 CB GLU A 26 -11.588 1.553 -5.394 1.00 0.00 C ATOM 401 CG GLU A 26 -11.776 2.779 -6.323 1.00 0.00 C ATOM 402 CD GLU A 26 -12.524 2.509 -7.626 1.00 0.00 C ATOM 403 OE1 GLU A 26 -11.983 1.818 -8.519 1.00 0.00 O ATOM 404 OE2 GLU A 26 -13.683 2.968 -7.758 1.00 0.00 O ATOM 0 H GLU A 26 -11.538 -0.127 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.643 1.468 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.086 1.892 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.913 0.856 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.311 3.552 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.793 3.183 -6.566 1.00 0.00 H new ATOM 411 N HIS A 27 -12.487 -1.064 -6.470 1.00 0.00 N ATOM 412 CA HIS A 27 -12.703 -1.864 -7.666 1.00 0.00 C ATOM 413 C HIS A 27 -13.789 -2.924 -7.476 1.00 0.00 C ATOM 414 O HIS A 27 -14.625 -3.117 -8.354 1.00 0.00 O ATOM 415 CB HIS A 27 -11.401 -2.539 -8.122 1.00 0.00 C ATOM 416 CG HIS A 27 -10.229 -1.612 -8.355 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.342 -0.277 -8.706 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.904 -1.846 -8.253 1.00 0.00 C ATOM 419 CE1 HIS A 27 -9.142 0.242 -8.816 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.260 -0.682 -8.545 1.00 0.00 N ATOM 0 H HIS A 27 -11.653 -1.314 -5.938 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.043 -1.172 -8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.114 -3.277 -7.373 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.599 -3.083 -9.045 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -11.218 0.223 -8.855 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.439 -2.784 -7.988 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.920 1.264 -9.086 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.248 -0.552 -8.551 1.00 0.00 H new ATOM 429 N LYS A 28 -13.760 -3.597 -6.318 1.00 0.00 N ATOM 430 CA LYS A 28 -14.639 -4.734 -5.995 1.00 0.00 C ATOM 431 C LYS A 28 -14.453 -5.847 -7.010 1.00 0.00 C ATOM 432 O LYS A 28 -15.404 -6.542 -7.413 1.00 0.00 O ATOM 433 CB LYS A 28 -16.104 -4.315 -5.868 1.00 0.00 C ATOM 434 CG LYS A 28 -16.394 -3.466 -4.644 1.00 0.00 C ATOM 435 CD LYS A 28 -17.872 -3.143 -4.547 1.00 0.00 C ATOM 436 CE LYS A 28 -18.203 -2.391 -3.267 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.874 -3.173 -2.052 1.00 0.00 N ATOM 0 H LYS A 28 -13.114 -3.364 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.348 -5.114 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.392 -3.760 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.726 -5.209 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.073 -3.994 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.818 -2.542 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.171 -2.545 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.449 -4.067 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.654 -1.449 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.264 -2.142 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.133 -2.626 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.404 -4.068 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.854 -3.375 -2.035 1.00 0.00 H new ATOM 451 N LYS A 29 -13.212 -6.019 -7.392 1.00 0.00 N ATOM 452 CA LYS A 29 -12.795 -6.988 -8.364 1.00 0.00 C ATOM 453 C LYS A 29 -11.474 -7.556 -7.869 1.00 0.00 C ATOM 454 O LYS A 29 -10.730 -6.836 -7.184 1.00 0.00 O ATOM 455 CB LYS A 29 -12.595 -6.309 -9.740 1.00 0.00 C ATOM 456 CG LYS A 29 -13.848 -5.619 -10.288 1.00 0.00 C ATOM 457 CD LYS A 29 -13.615 -4.932 -11.629 1.00 0.00 C ATOM 458 CE LYS A 29 -12.568 -3.847 -11.536 1.00 0.00 C ATOM 459 NZ LYS A 29 -12.378 -3.152 -12.819 1.00 0.00 N ATOM 0 H LYS A 29 -12.440 -5.466 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.543 -7.772 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.796 -5.573 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.264 -7.059 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.643 -6.357 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.195 -4.882 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.305 -5.672 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.552 -4.502 -11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.860 -3.126 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.622 -4.283 -11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.651 -2.416 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.074 -3.835 -13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.274 -2.713 -13.112 1.00 0.00 H new ATOM 473 N PRO A 30 -11.168 -8.828 -8.153 1.00 0.00 N ATOM 474 CA PRO A 30 -9.927 -9.436 -7.722 1.00 0.00 C ATOM 475 C PRO A 30 -8.764 -8.994 -8.610 1.00 0.00 C ATOM 476 O PRO A 30 -8.804 -9.153 -9.841 1.00 0.00 O ATOM 477 CB PRO A 30 -10.192 -10.951 -7.842 1.00 0.00 C ATOM 478 CG PRO A 30 -11.591 -11.097 -8.355 1.00 0.00 C ATOM 479 CD PRO A 30 -11.982 -9.770 -8.924 1.00 0.00 C ATOM 0 HA PRO A 30 -9.643 -9.147 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.479 -11.417 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.080 -11.443 -6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.645 -11.875 -9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.269 -11.389 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.767 -9.709 -9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.048 -9.577 -8.802 1.00 0.00 H new ATOM 487 N VAL A 31 -7.750 -8.434 -7.988 1.00 0.00 N ATOM 488 CA VAL A 31 -6.609 -7.880 -8.698 1.00 0.00 C ATOM 489 C VAL A 31 -5.337 -8.635 -8.310 1.00 0.00 C ATOM 490 O VAL A 31 -5.120 -8.924 -7.120 1.00 0.00 O ATOM 491 CB VAL A 31 -6.422 -6.350 -8.381 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.227 -5.751 -9.109 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.676 -5.565 -8.712 1.00 0.00 C ATOM 0 H VAL A 31 -7.689 -8.348 -6.973 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.797 -7.990 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.230 -6.277 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.140 -4.694 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.318 -6.272 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.365 -5.858 -10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.517 -4.511 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.905 -5.675 -9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.509 -5.943 -8.120 1.00 0.00 H new ATOM 503 N PRO A 32 -4.518 -9.033 -9.307 1.00 0.00 N ATOM 504 CA PRO A 32 -3.229 -9.669 -9.070 1.00 0.00 C ATOM 505 C PRO A 32 -2.293 -8.756 -8.288 1.00 0.00 C ATOM 506 O PRO A 32 -2.390 -7.512 -8.371 1.00 0.00 O ATOM 507 CB PRO A 32 -2.676 -9.898 -10.474 1.00 0.00 C ATOM 508 CG PRO A 32 -3.870 -9.917 -11.339 1.00 0.00 C ATOM 509 CD PRO A 32 -4.805 -8.926 -10.742 1.00 0.00 C ATOM 0 HA PRO A 32 -3.324 -10.582 -8.483 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.987 -9.104 -10.764 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.125 -10.837 -10.536 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.616 -9.650 -12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.317 -10.911 -11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.621 -7.919 -11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.845 -9.165 -10.966 1.00 0.00 H new ATOM 517 N PHE A 33 -1.372 -9.378 -7.586 1.00 0.00 N ATOM 518 CA PHE A 33 -0.441 -8.721 -6.678 1.00 0.00 C ATOM 519 C PHE A 33 0.258 -7.496 -7.296 1.00 0.00 C ATOM 520 O PHE A 33 0.159 -6.387 -6.788 1.00 0.00 O ATOM 521 CB PHE A 33 0.613 -9.740 -6.220 1.00 0.00 C ATOM 522 CG PHE A 33 1.598 -9.206 -5.219 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.307 -9.212 -3.865 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.818 -8.697 -5.636 1.00 0.00 C ATOM 525 CE1 PHE A 33 2.209 -8.720 -2.948 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.722 -8.204 -4.732 1.00 0.00 C ATOM 527 CZ PHE A 33 3.419 -8.214 -3.381 1.00 0.00 C ATOM 0 H PHE A 33 -1.241 -10.389 -7.629 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.023 -8.351 -5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.104 -10.601 -5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.158 -10.098 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.361 -9.607 -3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.060 -8.689 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.971 -8.730 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.668 -7.809 -5.072 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.129 -7.826 -2.666 1.00 0.00 H new ATOM 537 N GLN A 34 0.898 -7.692 -8.410 1.00 0.00 N ATOM 538 CA GLN A 34 1.766 -6.670 -8.970 1.00 0.00 C ATOM 539 C GLN A 34 0.996 -5.462 -9.505 1.00 0.00 C ATOM 540 O GLN A 34 1.501 -4.326 -9.464 1.00 0.00 O ATOM 541 CB GLN A 34 2.710 -7.278 -10.011 1.00 0.00 C ATOM 542 CG GLN A 34 3.808 -6.358 -10.553 1.00 0.00 C ATOM 543 CD GLN A 34 4.760 -5.793 -9.490 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.390 -5.511 -8.349 1.00 0.00 O ATOM 545 NE2 GLN A 34 5.992 -5.635 -9.855 1.00 0.00 N ATOM 0 H GLN A 34 0.842 -8.550 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 34 2.377 -6.278 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.185 -8.155 -9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.111 -7.628 -10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.394 -6.910 -11.288 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.339 -5.526 -11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.277 -5.875 -10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.677 -5.271 -9.193 1.00 0.00 H new ATOM 554 N GLU A 35 -0.238 -5.675 -9.932 1.00 0.00 N ATOM 555 CA GLU A 35 -1.016 -4.594 -10.487 1.00 0.00 C ATOM 556 C GLU A 35 -1.470 -3.653 -9.399 1.00 0.00 C ATOM 557 O GLU A 35 -1.453 -2.432 -9.583 1.00 0.00 O ATOM 558 CB GLU A 35 -2.202 -5.091 -11.298 1.00 0.00 C ATOM 559 CG GLU A 35 -1.831 -5.846 -12.559 1.00 0.00 C ATOM 560 CD GLU A 35 -3.040 -6.143 -13.402 1.00 0.00 C ATOM 561 OE1 GLU A 35 -3.503 -5.246 -14.135 1.00 0.00 O ATOM 562 OE2 GLU A 35 -3.578 -7.264 -13.333 1.00 0.00 O ATOM 0 H GLU A 35 -0.713 -6.577 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.366 -4.052 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.811 -5.739 -10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.823 -4.237 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.118 -5.260 -13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.334 -6.779 -12.292 1.00 0.00 H new ATOM 569 N LEU A 36 -1.800 -4.211 -8.233 1.00 0.00 N ATOM 570 CA LEU A 36 -2.253 -3.391 -7.125 1.00 0.00 C ATOM 571 C LEU A 36 -1.080 -2.509 -6.657 1.00 0.00 C ATOM 572 O LEU A 36 -1.257 -1.338 -6.337 1.00 0.00 O ATOM 573 CB LEU A 36 -2.848 -4.274 -5.971 1.00 0.00 C ATOM 574 CG LEU A 36 -1.873 -4.981 -5.006 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.581 -4.110 -3.792 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.386 -6.345 -4.576 1.00 0.00 C ATOM 0 H LEU A 36 -1.761 -5.212 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.067 -2.741 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.504 -3.641 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.474 -5.040 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.942 -5.140 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.892 -4.631 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.132 -3.171 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.510 -3.903 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.668 -6.806 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.343 -6.230 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.515 -6.979 -5.454 1.00 0.00 H new ATOM 588 N LEU A 37 0.140 -3.075 -6.708 1.00 0.00 N ATOM 589 CA LEU A 37 1.343 -2.347 -6.342 1.00 0.00 C ATOM 590 C LEU A 37 1.638 -1.245 -7.326 1.00 0.00 C ATOM 591 O LEU A 37 2.198 -0.227 -6.961 1.00 0.00 O ATOM 592 CB LEU A 37 2.578 -3.263 -6.217 1.00 0.00 C ATOM 593 CG LEU A 37 2.834 -3.955 -4.867 1.00 0.00 C ATOM 594 CD1 LEU A 37 2.979 -2.936 -3.752 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.775 -4.967 -4.536 1.00 0.00 C ATOM 0 H LEU A 37 0.306 -4.038 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 37 1.143 -1.915 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.496 -4.038 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.459 -2.669 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 37 3.775 -4.497 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.159 -3.452 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.818 -2.275 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.064 -2.348 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.000 -5.428 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.804 -4.474 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.751 -5.735 -5.309 1.00 0.00 H new ATOM 607 N ASN A 38 1.279 -1.448 -8.571 1.00 0.00 N ATOM 608 CA ASN A 38 1.512 -0.435 -9.578 1.00 0.00 C ATOM 609 C ASN A 38 0.534 0.701 -9.481 1.00 0.00 C ATOM 610 O ASN A 38 0.903 1.856 -9.725 1.00 0.00 O ATOM 611 CB ASN A 38 1.661 -1.010 -10.990 1.00 0.00 C ATOM 612 CG ASN A 38 3.021 -1.655 -11.149 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.968 -1.247 -10.499 1.00 0.00 O ATOM 614 ND2 ASN A 38 3.137 -2.661 -11.964 1.00 0.00 N ATOM 0 H ASN A 38 0.828 -2.297 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 38 2.487 0.000 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.878 -1.745 -11.176 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.537 -0.218 -11.728 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.037 -3.129 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.328 -2.982 -12.496 1.00 0.00 H new ATOM 621 N GLU A 39 -0.702 0.400 -9.083 1.00 0.00 N ATOM 622 CA GLU A 39 -1.654 1.462 -8.800 1.00 0.00 C ATOM 623 C GLU A 39 -1.158 2.267 -7.624 1.00 0.00 C ATOM 624 O GLU A 39 -1.149 3.489 -7.665 1.00 0.00 O ATOM 625 CB GLU A 39 -3.054 0.951 -8.488 1.00 0.00 C ATOM 626 CG GLU A 39 -3.791 0.335 -9.649 1.00 0.00 C ATOM 627 CD GLU A 39 -5.244 0.146 -9.319 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.959 1.160 -9.141 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.711 -0.995 -9.217 1.00 0.00 O ATOM 0 H GLU A 39 -1.057 -0.547 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.727 2.070 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.983 0.211 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.647 1.780 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.693 0.973 -10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.343 -0.626 -9.901 1.00 0.00 H new ATOM 636 N ILE A 40 -0.722 1.557 -6.581 1.00 0.00 N ATOM 637 CA ILE A 40 -0.165 2.180 -5.393 1.00 0.00 C ATOM 638 C ILE A 40 1.024 3.068 -5.760 1.00 0.00 C ATOM 639 O ILE A 40 1.017 4.240 -5.466 1.00 0.00 O ATOM 640 CB ILE A 40 0.253 1.116 -4.313 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.988 0.401 -3.754 1.00 0.00 C ATOM 642 CG2 ILE A 40 1.066 1.746 -3.177 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.680 -0.670 -2.722 1.00 0.00 C ATOM 0 H ILE A 40 -0.748 0.538 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.946 2.801 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 40 0.892 0.383 -4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.649 1.143 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.534 -0.054 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.335 0.977 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.973 2.194 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.470 2.515 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.610 -1.124 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.046 -1.435 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.162 -0.221 -1.875 1.00 0.00 H new ATOM 655 N ALA A 41 1.992 2.512 -6.465 1.00 0.00 N ATOM 656 CA ALA A 41 3.215 3.230 -6.822 1.00 0.00 C ATOM 657 C ALA A 41 2.957 4.559 -7.523 1.00 0.00 C ATOM 658 O ALA A 41 3.507 5.573 -7.129 1.00 0.00 O ATOM 659 CB ALA A 41 4.108 2.360 -7.675 1.00 0.00 C ATOM 0 H ALA A 41 1.959 1.552 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 41 3.714 3.465 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.014 2.910 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.375 1.459 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.581 2.082 -8.588 1.00 0.00 H new ATOM 665 N SER A 42 2.134 4.552 -8.546 1.00 0.00 N ATOM 666 CA SER A 42 1.837 5.776 -9.273 1.00 0.00 C ATOM 667 C SER A 42 0.908 6.699 -8.496 1.00 0.00 C ATOM 668 O SER A 42 0.923 7.909 -8.704 1.00 0.00 O ATOM 669 CB SER A 42 1.333 5.480 -10.689 1.00 0.00 C ATOM 670 OG SER A 42 1.148 6.665 -11.456 1.00 0.00 O ATOM 0 H SER A 42 1.658 3.721 -8.896 1.00 0.00 H new ATOM 0 HA SER A 42 2.774 6.323 -9.382 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.045 4.829 -11.197 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.390 4.937 -10.630 1.00 0.00 H new ATOM 0 HG SER A 42 0.828 6.428 -12.351 1.00 0.00 H new ATOM 676 N LEU A 43 0.091 6.135 -7.636 1.00 0.00 N ATOM 677 CA LEU A 43 -0.784 6.937 -6.812 1.00 0.00 C ATOM 678 C LEU A 43 0.081 7.690 -5.800 1.00 0.00 C ATOM 679 O LEU A 43 -0.187 8.836 -5.442 1.00 0.00 O ATOM 680 CB LEU A 43 -1.814 6.043 -6.111 1.00 0.00 C ATOM 681 CG LEU A 43 -2.954 6.750 -5.397 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.781 7.552 -6.377 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.820 5.748 -4.655 1.00 0.00 C ATOM 0 H LEU A 43 0.014 5.129 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.338 7.653 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.242 5.370 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.289 5.423 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.529 7.440 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.592 8.051 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.150 8.299 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.197 6.886 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.631 6.272 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.236 5.032 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.215 5.219 -3.918 1.00 0.00 H new ATOM 695 N LEU A 44 1.139 7.029 -5.379 1.00 0.00 N ATOM 696 CA LEU A 44 2.119 7.595 -4.495 1.00 0.00 C ATOM 697 C LEU A 44 3.140 8.391 -5.265 1.00 0.00 C ATOM 698 O LEU A 44 3.261 8.295 -6.479 1.00 0.00 O ATOM 699 CB LEU A 44 2.887 6.518 -3.709 1.00 0.00 C ATOM 700 CG LEU A 44 2.277 5.948 -2.432 1.00 0.00 C ATOM 701 CD1 LEU A 44 0.958 5.277 -2.691 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.252 4.981 -1.802 1.00 0.00 C ATOM 0 H LEU A 44 1.340 6.066 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 44 1.564 8.230 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.067 5.684 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.861 6.934 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 44 2.084 6.773 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.559 4.885 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.258 6.000 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.099 4.458 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.820 4.571 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.462 4.170 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.178 5.503 -1.562 1.00 0.00 H new ATOM 714 N GLY A 45 3.869 9.152 -4.532 1.00 0.00 N ATOM 715 CA GLY A 45 4.976 9.904 -5.072 1.00 0.00 C ATOM 716 C GLY A 45 6.245 9.166 -4.800 1.00 0.00 C ATOM 717 O GLY A 45 7.057 9.584 -3.977 1.00 0.00 O ATOM 0 H GLY A 45 3.725 9.281 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.846 10.047 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.013 10.895 -4.621 1.00 0.00 H new ATOM 721 N VAL A 46 6.368 8.026 -5.426 1.00 0.00 N ATOM 722 CA VAL A 46 7.497 7.145 -5.244 1.00 0.00 C ATOM 723 C VAL A 46 7.857 6.534 -6.577 1.00 0.00 C ATOM 724 O VAL A 46 7.024 6.476 -7.480 1.00 0.00 O ATOM 725 CB VAL A 46 7.167 5.970 -4.246 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.814 6.473 -2.857 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.052 5.075 -4.778 1.00 0.00 C ATOM 0 H VAL A 46 5.676 7.675 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 46 8.318 7.733 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 46 8.079 5.378 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.595 5.625 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.654 7.035 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.939 7.120 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.853 4.277 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.148 5.667 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.357 4.641 -5.730 1.00 0.00 H new ATOM 737 N LYS A 47 9.066 6.106 -6.716 1.00 0.00 N ATOM 738 CA LYS A 47 9.445 5.379 -7.889 1.00 0.00 C ATOM 739 C LYS A 47 9.239 3.896 -7.589 1.00 0.00 C ATOM 740 O LYS A 47 9.363 3.478 -6.433 1.00 0.00 O ATOM 741 CB LYS A 47 10.901 5.684 -8.300 1.00 0.00 C ATOM 742 CG LYS A 47 11.961 5.304 -7.276 1.00 0.00 C ATOM 743 CD LYS A 47 13.360 5.553 -7.807 1.00 0.00 C ATOM 744 CE LYS A 47 14.415 5.216 -6.771 1.00 0.00 C ATOM 745 NZ LYS A 47 15.786 5.336 -7.312 1.00 0.00 N ATOM 0 H LYS A 47 9.812 6.245 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 47 8.830 5.679 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.115 5.160 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.986 6.751 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.809 5.879 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.853 4.252 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.523 4.953 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.458 6.598 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.305 5.880 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.256 4.200 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.463 5.417 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.011 4.493 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.849 6.183 -7.913 1.00 0.00 H new ATOM 759 N LYS A 48 8.913 3.111 -8.590 1.00 0.00 N ATOM 760 CA LYS A 48 8.642 1.684 -8.408 1.00 0.00 C ATOM 761 C LYS A 48 9.778 0.951 -7.670 1.00 0.00 C ATOM 762 O LYS A 48 9.517 0.053 -6.909 1.00 0.00 O ATOM 763 CB LYS A 48 8.346 1.004 -9.738 1.00 0.00 C ATOM 764 CG LYS A 48 8.083 -0.492 -9.626 1.00 0.00 C ATOM 765 CD LYS A 48 6.722 -0.846 -8.987 1.00 0.00 C ATOM 766 CE LYS A 48 6.487 -2.345 -9.048 1.00 0.00 C ATOM 767 NZ LYS A 48 5.158 -2.712 -8.534 1.00 0.00 N ATOM 0 H LYS A 48 8.826 3.432 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 48 7.756 1.620 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.478 1.482 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.188 1.165 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.131 -0.934 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.879 -0.947 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.700 -0.509 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.920 -0.323 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.585 -2.686 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.255 -2.857 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.137 -3.730 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.960 -2.173 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.436 -2.493 -9.250 1.00 0.00 H new ATOM 781 N GLU A 49 11.015 1.371 -7.886 1.00 0.00 N ATOM 782 CA GLU A 49 12.188 0.791 -7.190 1.00 0.00 C ATOM 783 C GLU A 49 12.030 0.839 -5.654 1.00 0.00 C ATOM 784 O GLU A 49 12.114 -0.188 -4.956 1.00 0.00 O ATOM 785 CB GLU A 49 13.427 1.572 -7.574 1.00 0.00 C ATOM 786 CG GLU A 49 13.857 1.413 -9.009 1.00 0.00 C ATOM 787 CD GLU A 49 14.794 2.507 -9.424 1.00 0.00 C ATOM 788 OE1 GLU A 49 15.909 2.601 -8.873 1.00 0.00 O ATOM 789 OE2 GLU A 49 14.401 3.333 -10.261 1.00 0.00 O ATOM 0 H GLU A 49 11.249 2.117 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 49 12.272 -0.253 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.248 2.629 -7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.248 1.263 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.343 0.446 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.980 1.418 -9.656 1.00 0.00 H new ATOM 796 N GLU A 50 11.748 2.022 -5.139 1.00 0.00 N ATOM 797 CA GLU A 50 11.639 2.220 -3.699 1.00 0.00 C ATOM 798 C GLU A 50 10.328 1.620 -3.205 1.00 0.00 C ATOM 799 O GLU A 50 10.202 1.204 -2.054 1.00 0.00 O ATOM 800 CB GLU A 50 11.709 3.705 -3.361 1.00 0.00 C ATOM 801 CG GLU A 50 10.527 4.494 -3.867 1.00 0.00 C ATOM 802 CD GLU A 50 10.671 5.966 -3.647 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.568 6.416 -2.500 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.868 6.706 -4.626 1.00 0.00 O ATOM 0 H GLU A 50 11.590 2.863 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 50 12.470 1.720 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.776 3.820 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.623 4.123 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.398 4.302 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.623 4.144 -3.368 1.00 0.00 H new ATOM 811 N LEU A 51 9.359 1.573 -4.098 1.00 0.00 N ATOM 812 CA LEU A 51 8.087 0.980 -3.810 1.00 0.00 C ATOM 813 C LEU A 51 8.278 -0.536 -3.758 1.00 0.00 C ATOM 814 O LEU A 51 7.586 -1.215 -3.047 1.00 0.00 O ATOM 815 CB LEU A 51 7.057 1.441 -4.880 1.00 0.00 C ATOM 816 CG LEU A 51 5.556 1.082 -4.706 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.253 -0.354 -5.081 1.00 0.00 C ATOM 818 CD2 LEU A 51 5.079 1.376 -3.288 1.00 0.00 C ATOM 0 H LEU A 51 9.441 1.948 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 51 7.692 1.297 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.126 2.526 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.380 1.036 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 51 5.005 1.718 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.190 -0.550 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.518 -0.521 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.833 -1.026 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.025 1.114 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.661 0.788 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.210 2.437 -3.073 1.00 0.00 H new ATOM 830 N GLY A 52 9.269 -1.024 -4.498 1.00 0.00 N ATOM 831 CA GLY A 52 9.644 -2.426 -4.511 1.00 0.00 C ATOM 832 C GLY A 52 10.159 -2.861 -3.171 1.00 0.00 C ATOM 833 O GLY A 52 9.863 -3.962 -2.698 1.00 0.00 O ATOM 0 H GLY A 52 9.840 -0.444 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.782 -3.033 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.408 -2.594 -5.270 1.00 0.00 H new ATOM 837 N ASP A 53 10.917 -1.985 -2.548 1.00 0.00 N ATOM 838 CA ASP A 53 11.387 -2.215 -1.176 1.00 0.00 C ATOM 839 C ASP A 53 10.175 -2.332 -0.249 1.00 0.00 C ATOM 840 O ASP A 53 10.062 -3.262 0.571 1.00 0.00 O ATOM 841 CB ASP A 53 12.281 -1.070 -0.738 1.00 0.00 C ATOM 842 CG ASP A 53 12.803 -1.223 0.671 1.00 0.00 C ATOM 843 OD1 ASP A 53 13.815 -1.929 0.857 1.00 0.00 O ATOM 844 OD2 ASP A 53 12.247 -0.586 1.603 1.00 0.00 O ATOM 0 H ASP A 53 11.227 -1.104 -2.959 1.00 0.00 H new ATOM 0 HA ASP A 53 11.965 -3.138 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.125 -0.994 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.725 -0.135 -0.812 1.00 0.00 H new ATOM 849 N ARG A 54 9.222 -1.423 -0.444 1.00 0.00 N ATOM 850 CA ARG A 54 7.963 -1.478 0.291 1.00 0.00 C ATOM 851 C ARG A 54 7.158 -2.733 -0.063 1.00 0.00 C ATOM 852 O ARG A 54 6.351 -3.152 0.708 1.00 0.00 O ATOM 853 CB ARG A 54 7.082 -0.224 0.106 1.00 0.00 C ATOM 854 CG ARG A 54 7.425 0.988 0.982 1.00 0.00 C ATOM 855 CD ARG A 54 8.772 1.601 0.664 1.00 0.00 C ATOM 856 NE ARG A 54 9.003 2.829 1.435 1.00 0.00 N ATOM 857 CZ ARG A 54 9.700 3.896 1.013 1.00 0.00 C ATOM 858 NH1 ARG A 54 10.274 3.894 -0.187 1.00 0.00 N ATOM 859 NH2 ARG A 54 9.827 4.951 1.814 1.00 0.00 N ATOM 0 H ARG A 54 9.297 -0.646 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 54 8.250 -1.516 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.140 0.083 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.046 -0.503 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.652 1.746 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.411 0.685 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.561 0.881 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.829 1.824 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 54 8.600 2.875 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.186 3.078 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.802 4.708 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.397 4.944 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.354 5.767 1.503 1.00 0.00 H new ATOM 873 N ILE A 55 7.395 -3.315 -1.244 1.00 0.00 N ATOM 874 CA ILE A 55 6.728 -4.556 -1.664 1.00 0.00 C ATOM 875 C ILE A 55 7.166 -5.699 -0.765 1.00 0.00 C ATOM 876 O ILE A 55 6.359 -6.531 -0.368 1.00 0.00 O ATOM 877 CB ILE A 55 7.011 -4.922 -3.170 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.419 -3.867 -4.105 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.479 -6.304 -3.530 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.600 -4.161 -5.586 1.00 0.00 C ATOM 0 H ILE A 55 8.050 -2.943 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 55 5.654 -4.392 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 55 8.093 -4.940 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.354 -3.771 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.877 -2.904 -3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.695 -6.516 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.959 -7.054 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.401 -6.332 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.150 -3.361 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.663 -4.226 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.117 -5.107 -5.831 1.00 0.00 H new ATOM 892 N ALA A 56 8.440 -5.717 -0.425 1.00 0.00 N ATOM 893 CA ALA A 56 8.975 -6.728 0.477 1.00 0.00 C ATOM 894 C ALA A 56 8.311 -6.598 1.856 1.00 0.00 C ATOM 895 O ALA A 56 7.757 -7.600 2.431 1.00 0.00 O ATOM 896 CB ALA A 56 10.478 -6.588 0.576 1.00 0.00 C ATOM 0 H ALA A 56 9.129 -5.043 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 56 8.754 -7.721 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.870 -7.347 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.921 -6.717 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.727 -5.598 0.959 1.00 0.00 H new ATOM 902 N GLN A 57 8.302 -5.367 2.361 1.00 0.00 N ATOM 903 CA GLN A 57 7.657 -5.045 3.631 1.00 0.00 C ATOM 904 C GLN A 57 6.182 -5.472 3.538 1.00 0.00 C ATOM 905 O GLN A 57 5.652 -6.129 4.439 1.00 0.00 O ATOM 906 CB GLN A 57 7.804 -3.518 3.903 1.00 0.00 C ATOM 907 CG GLN A 57 7.470 -3.027 5.334 1.00 0.00 C ATOM 908 CD GLN A 57 5.990 -3.080 5.715 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.110 -2.940 4.874 1.00 0.00 O ATOM 910 NE2 GLN A 57 5.713 -3.261 6.984 1.00 0.00 N ATOM 0 H GLN A 57 8.740 -4.567 1.903 1.00 0.00 H new ATOM 0 HA GLN A 57 8.122 -5.575 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.831 -3.230 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.161 -2.985 3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.033 -3.628 6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.818 -1.999 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.469 -3.374 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.742 -3.288 7.295 1.00 0.00 H new ATOM 919 N PHE A 58 5.584 -5.163 2.395 1.00 0.00 N ATOM 920 CA PHE A 58 4.201 -5.459 2.080 1.00 0.00 C ATOM 921 C PHE A 58 3.929 -6.954 2.062 1.00 0.00 C ATOM 922 O PHE A 58 2.862 -7.351 2.401 1.00 0.00 O ATOM 923 CB PHE A 58 3.801 -4.812 0.747 1.00 0.00 C ATOM 924 CG PHE A 58 2.346 -4.913 0.385 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.378 -4.310 1.173 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.949 -5.599 -0.746 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.045 -4.393 0.837 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.618 -5.681 -1.089 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.337 -5.077 -0.296 1.00 0.00 C ATOM 0 H PHE A 58 6.070 -4.682 1.638 1.00 0.00 H new ATOM 0 HA PHE A 58 3.586 -5.031 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.076 -3.758 0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.387 -5.271 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.672 -3.769 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.691 -6.077 -1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.700 -3.922 1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.321 -6.218 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.381 -5.141 -0.563 1.00 0.00 H new ATOM 939 N TYR A 59 4.892 -7.786 1.656 1.00 0.00 N ATOM 940 CA TYR A 59 4.690 -9.237 1.757 1.00 0.00 C ATOM 941 C TYR A 59 4.421 -9.606 3.186 1.00 0.00 C ATOM 942 O TYR A 59 3.415 -10.267 3.495 1.00 0.00 O ATOM 943 CB TYR A 59 5.866 -10.062 1.229 1.00 0.00 C ATOM 944 CG TYR A 59 5.890 -10.257 -0.263 1.00 0.00 C ATOM 945 CD1 TYR A 59 5.045 -11.177 -0.867 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.761 -9.552 -1.061 1.00 0.00 C ATOM 947 CE1 TYR A 59 5.073 -11.377 -2.226 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.798 -9.747 -2.418 1.00 0.00 C ATOM 949 CZ TYR A 59 5.954 -10.656 -2.994 1.00 0.00 C ATOM 950 OH TYR A 59 5.997 -10.849 -4.345 1.00 0.00 O ATOM 0 H TYR A 59 5.789 -7.496 1.267 1.00 0.00 H new ATOM 0 HA TYR A 59 3.836 -9.476 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.794 -9.578 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.847 -11.041 1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.355 -11.744 -0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.428 -8.832 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.409 -12.094 -2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.490 -9.186 -3.028 1.00 0.00 H new ATOM 0 HH TYR A 59 5.408 -10.202 -4.787 1.00 0.00 H new ATOM 960 N THR A 60 5.270 -9.115 4.068 1.00 0.00 N ATOM 961 CA THR A 60 5.079 -9.371 5.486 1.00 0.00 C ATOM 962 C THR A 60 3.752 -8.748 5.995 1.00 0.00 C ATOM 963 O THR A 60 2.906 -9.439 6.576 1.00 0.00 O ATOM 964 CB THR A 60 6.283 -8.848 6.315 1.00 0.00 C ATOM 965 OG1 THR A 60 7.461 -9.594 5.969 1.00 0.00 O ATOM 966 CG2 THR A 60 6.030 -8.965 7.816 1.00 0.00 C ATOM 0 H THR A 60 6.085 -8.547 3.836 1.00 0.00 H new ATOM 0 HA THR A 60 5.018 -10.451 5.620 1.00 0.00 H new ATOM 0 HB THR A 60 6.420 -7.793 6.079 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.222 -9.264 6.490 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.896 -8.589 8.361 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.150 -8.380 8.083 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.863 -10.010 8.076 1.00 0.00 H new ATOM 974 N ASP A 61 3.558 -7.483 5.695 1.00 0.00 N ATOM 975 CA ASP A 61 2.412 -6.718 6.184 1.00 0.00 C ATOM 976 C ASP A 61 1.065 -7.244 5.657 1.00 0.00 C ATOM 977 O ASP A 61 0.092 -7.334 6.392 1.00 0.00 O ATOM 978 CB ASP A 61 2.598 -5.246 5.847 1.00 0.00 C ATOM 979 CG ASP A 61 1.515 -4.377 6.407 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.341 -4.349 7.646 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.839 -3.700 5.644 1.00 0.00 O ATOM 0 H ASP A 61 4.190 -6.945 5.102 1.00 0.00 H new ATOM 0 HA ASP A 61 2.375 -6.841 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.561 -4.910 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.628 -5.128 4.764 1.00 0.00 H new ATOM 986 N LEU A 62 1.042 -7.649 4.413 1.00 0.00 N ATOM 987 CA LEU A 62 -0.161 -8.160 3.769 1.00 0.00 C ATOM 988 C LEU A 62 -0.538 -9.527 4.328 1.00 0.00 C ATOM 989 O LEU A 62 -1.718 -9.862 4.435 1.00 0.00 O ATOM 990 CB LEU A 62 0.060 -8.241 2.251 1.00 0.00 C ATOM 991 CG LEU A 62 -1.090 -8.726 1.383 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.293 -7.818 1.533 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.645 -8.772 -0.064 1.00 0.00 C ATOM 0 H LEU A 62 1.861 -7.637 3.805 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.985 -7.477 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.345 -7.248 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.912 -8.898 2.073 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.378 -9.727 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.105 -8.183 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.616 -7.811 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.025 -6.806 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.469 -9.120 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.344 -7.774 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.199 -9.455 -0.164 1.00 0.00 H new ATOM 1005 N ASN A 63 0.458 -10.317 4.704 1.00 0.00 N ATOM 1006 CA ASN A 63 0.181 -11.645 5.260 1.00 0.00 C ATOM 1007 C ASN A 63 -0.347 -11.550 6.688 1.00 0.00 C ATOM 1008 O ASN A 63 -1.052 -12.440 7.164 1.00 0.00 O ATOM 1009 CB ASN A 63 1.398 -12.594 5.184 1.00 0.00 C ATOM 1010 CG ASN A 63 1.723 -13.123 3.777 1.00 0.00 C ATOM 1011 OD1 ASN A 63 1.440 -12.365 2.748 1.00 0.00 O flip ATOM 1012 ND2 ASN A 63 2.244 -14.227 3.628 1.00 0.00 N flip ATOM 0 H ASN A 63 1.447 -10.074 4.639 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.597 -12.082 4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.273 -12.070 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.219 -13.444 5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.458 -14.804 4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.463 -14.565 2.691 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.033 -10.462 7.364 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.516 -10.260 8.723 1.00 0.00 C ATOM 1021 C ILE A 64 -1.762 -9.369 8.748 1.00 0.00 C ATOM 1022 O ILE A 64 -2.270 -9.019 9.813 1.00 0.00 O ATOM 1023 CB ILE A 64 0.571 -9.699 9.682 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.151 -8.383 9.156 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.668 -10.735 9.913 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.200 -7.761 10.044 1.00 0.00 C ATOM 0 H ILE A 64 0.550 -9.708 7.001 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.784 -11.250 9.092 1.00 0.00 H new ATOM 0 HB ILE A 64 0.099 -9.485 10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.585 -8.560 8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.337 -7.670 9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.420 -10.324 10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.234 -11.631 10.356 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.134 -10.990 8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.554 -6.834 9.594 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.769 -7.548 11.022 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.036 -8.451 10.158 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.265 -9.042 7.578 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.451 -8.196 7.456 1.00 0.00 C ATOM 1040 C ASP A 65 -4.713 -8.972 7.818 1.00 0.00 C ATOM 1041 O ASP A 65 -4.821 -10.165 7.507 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.580 -7.640 6.047 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.794 -6.761 5.890 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -4.728 -5.569 6.210 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.834 -7.247 5.477 1.00 0.00 O ATOM 0 H ASP A 65 -1.874 -9.347 6.687 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.335 -7.366 8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.685 -7.068 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.637 -8.465 5.337 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.663 -8.299 8.452 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.871 -8.952 8.891 1.00 0.00 C ATOM 1052 C GLY A 66 -8.115 -8.557 8.096 1.00 0.00 C ATOM 1053 O GLY A 66 -9.231 -8.695 8.592 1.00 0.00 O ATOM 0 H GLY A 66 -5.614 -7.304 8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.735 -10.031 8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.036 -8.720 9.943 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.939 -8.050 6.896 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.066 -7.704 6.011 1.00 0.00 C ATOM 1059 C ARG A 67 -8.924 -8.394 4.654 1.00 0.00 C ATOM 1060 O ARG A 67 -9.922 -8.709 3.981 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.196 -6.175 5.821 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.645 -5.416 7.066 1.00 0.00 C ATOM 1063 CD ARG A 67 -11.038 -5.850 7.475 1.00 0.00 C ATOM 1064 NE ARG A 67 -11.503 -5.234 8.719 1.00 0.00 N ATOM 1065 CZ ARG A 67 -11.750 -5.936 9.820 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -11.176 -7.111 9.979 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -12.492 -5.432 10.800 1.00 0.00 N ATOM 0 H ARG A 67 -7.021 -7.861 6.493 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.976 -8.060 6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.233 -5.779 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.906 -5.981 5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.946 -5.598 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.634 -4.344 6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.736 -5.604 6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.053 -6.934 7.589 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.643 -4.224 8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.549 -7.474 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.359 -7.658 10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.881 -4.493 10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.672 -5.984 11.639 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.704 -8.605 4.257 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.382 -9.258 3.028 1.00 0.00 C ATOM 1083 C PHE A 68 -7.596 -10.739 3.061 1.00 0.00 C ATOM 1084 O PHE A 68 -7.526 -11.401 4.119 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.957 -8.954 2.586 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.853 -7.762 1.708 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.984 -7.906 0.346 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.632 -6.506 2.223 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.903 -6.834 -0.487 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.549 -5.418 1.387 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.685 -5.589 0.029 1.00 0.00 C ATOM 0 H PHE A 68 -6.886 -8.319 4.795 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.081 -8.848 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.336 -8.801 3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.555 -9.820 2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.154 -8.888 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.523 -6.374 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.011 -6.967 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.378 -4.433 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.619 -4.736 -0.631 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.865 -11.240 1.904 1.00 0.00 N ATOM 1102 CA LEU A 69 -8.037 -12.614 1.654 1.00 0.00 C ATOM 1103 C LEU A 69 -7.402 -12.899 0.305 1.00 0.00 C ATOM 1104 O LEU A 69 -7.651 -12.158 -0.659 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.523 -12.944 1.575 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.863 -14.408 1.320 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.481 -15.276 2.507 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.322 -14.559 0.982 1.00 0.00 C ATOM 0 H LEU A 69 -7.975 -10.664 1.069 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.585 -13.209 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.994 -12.638 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.968 -12.343 0.782 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.279 -14.749 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.736 -16.314 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.409 -15.195 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.024 -14.942 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.547 -15.610 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.927 -14.194 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.550 -13.982 0.086 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.558 -13.891 0.236 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.992 -14.296 -1.026 1.00 0.00 C ATOM 1122 C ALA A 70 -7.035 -15.110 -1.747 1.00 0.00 C ATOM 1123 O ALA A 70 -7.466 -16.142 -1.247 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.726 -15.113 -0.814 1.00 0.00 C ATOM 0 H ALA A 70 -6.245 -14.436 1.039 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.714 -13.422 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.317 -15.407 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.992 -14.513 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.961 -16.005 -0.233 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.497 -14.611 -2.860 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.531 -15.272 -3.612 1.00 0.00 C ATOM 1132 C LEU A 71 -8.067 -16.556 -4.329 1.00 0.00 C ATOM 1133 O LEU A 71 -8.033 -17.616 -3.711 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.242 -14.272 -4.515 1.00 0.00 C ATOM 1135 CG LEU A 71 -10.023 -13.197 -3.755 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.275 -12.019 -4.632 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -11.346 -13.749 -3.309 1.00 0.00 C ATOM 0 H LEU A 71 -7.169 -13.737 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.266 -15.648 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.505 -13.787 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.927 -14.811 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.431 -12.891 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.831 -11.264 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.324 -11.600 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.854 -12.330 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.898 -12.980 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.921 -14.064 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.181 -14.605 -2.654 1.00 0.00 H new ATOM 1149 N SER A 72 -7.708 -16.497 -5.596 1.00 0.00 N ATOM 1150 CA SER A 72 -7.328 -17.736 -6.257 1.00 0.00 C ATOM 1151 C SER A 72 -5.809 -17.935 -6.424 1.00 0.00 C ATOM 1152 O SER A 72 -5.227 -18.879 -5.883 1.00 0.00 O ATOM 1153 CB SER A 72 -8.055 -17.883 -7.600 1.00 0.00 C ATOM 1154 OG SER A 72 -7.738 -16.804 -8.486 1.00 0.00 O ATOM 0 H SER A 72 -7.670 -15.653 -6.167 1.00 0.00 H new ATOM 0 HA SER A 72 -7.646 -18.532 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.778 -18.830 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.131 -17.913 -7.431 1.00 0.00 H new ATOM 0 HG SER A 72 -7.047 -17.092 -9.118 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.177 -17.019 -7.138 1.00 0.00 N ATOM 1161 CA ASP A 73 -3.790 -17.188 -7.594 1.00 0.00 C ATOM 1162 C ASP A 73 -2.925 -16.076 -7.080 1.00 0.00 C ATOM 1163 O ASP A 73 -2.064 -15.578 -7.796 1.00 0.00 O ATOM 1164 CB ASP A 73 -3.754 -17.174 -9.134 1.00 0.00 C ATOM 1165 CG ASP A 73 -4.611 -18.238 -9.756 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -5.819 -17.986 -9.988 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -4.119 -19.353 -10.014 1.00 0.00 O ATOM 0 H ASP A 73 -5.602 -16.136 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.413 -18.137 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.083 -16.198 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.725 -17.304 -9.468 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.131 -15.702 -5.816 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.478 -14.516 -5.207 1.00 0.00 C ATOM 1174 C GLN A 74 -3.083 -13.286 -5.768 1.00 0.00 C ATOM 1175 O GLN A 74 -2.514 -12.200 -5.761 1.00 0.00 O ATOM 1176 CB GLN A 74 -0.922 -14.507 -5.254 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.290 -15.351 -4.154 1.00 0.00 C ATOM 1178 CD GLN A 74 -0.639 -16.814 -4.256 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -0.665 -17.337 -5.452 1.00 0.00 O flip ATOM 1180 NE2 GLN A 74 -0.804 -17.486 -3.246 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.750 -16.203 -5.179 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.676 -14.565 -4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.591 -14.877 -6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.567 -13.480 -5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.793 -15.238 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.613 -14.973 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.777 -17.042 -2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.969 -18.490 -3.323 1.00 0.00 H new ATOM 1189 N THR A 75 -4.253 -13.494 -6.259 1.00 0.00 N ATOM 1190 CA THR A 75 -5.119 -12.472 -6.642 1.00 0.00 C ATOM 1191 C THR A 75 -5.707 -12.022 -5.324 1.00 0.00 C ATOM 1192 O THR A 75 -6.349 -12.821 -4.635 1.00 0.00 O ATOM 1193 CB THR A 75 -6.228 -13.080 -7.502 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.698 -14.243 -8.194 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.708 -12.072 -8.528 1.00 0.00 C ATOM 0 H THR A 75 -4.636 -14.428 -6.405 1.00 0.00 H new ATOM 0 HA THR A 75 -4.644 -11.669 -7.205 1.00 0.00 H new ATOM 0 HB THR A 75 -7.064 -13.364 -6.863 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.401 -14.643 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.497 -12.517 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.096 -11.190 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.877 -11.783 -9.171 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.463 -10.828 -4.932 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.880 -10.432 -3.626 1.00 0.00 C ATOM 1205 C TRP A 76 -7.208 -9.757 -3.656 1.00 0.00 C ATOM 1206 O TRP A 76 -7.751 -9.453 -4.736 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.817 -9.578 -2.913 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.605 -10.364 -2.483 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.479 -10.596 -3.207 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.408 -11.015 -1.214 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.598 -11.368 -2.483 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -2.143 -11.634 -1.254 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -4.178 -11.137 -0.055 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.633 -12.363 -0.170 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.673 -11.855 1.012 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.415 -12.460 0.948 1.00 0.00 C ATOM 0 H TRP A 76 -4.985 -10.113 -5.480 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.994 -11.342 -3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.502 -8.774 -3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.266 -9.109 -2.037 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.301 -10.228 -4.207 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.687 -11.690 -2.809 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.153 -10.677 0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.660 -12.830 -0.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.262 -11.950 1.912 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.052 -13.016 1.800 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.764 -9.595 -2.501 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.999 -8.955 -2.372 1.00 0.00 C ATOM 1229 C GLY A 77 -9.415 -8.916 -0.949 1.00 0.00 C ATOM 1230 O GLY A 77 -8.643 -9.278 -0.055 1.00 0.00 O ATOM 0 H GLY A 77 -7.357 -9.912 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.933 -7.941 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.751 -9.478 -2.963 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.619 -8.549 -0.730 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.126 -8.372 0.595 1.00 0.00 C ATOM 1236 C LEU A 78 -12.167 -9.404 0.879 1.00 0.00 C ATOM 1237 O LEU A 78 -12.955 -9.764 0.010 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.728 -6.973 0.771 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.778 -5.787 0.575 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.534 -4.483 0.735 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.621 -5.850 1.566 1.00 0.00 C ATOM 0 H LEU A 78 -11.297 -8.358 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.298 -8.482 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.554 -6.867 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.151 -6.908 1.773 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.367 -5.838 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.850 -3.646 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.330 -4.430 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.967 -4.433 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.960 -4.998 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.011 -5.823 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.064 -6.775 1.416 1.00 0.00 H new ATOM 1253 N ARG A 79 -12.164 -9.891 2.082 1.00 0.00 N ATOM 1254 CA ARG A 79 -13.149 -10.862 2.511 1.00 0.00 C ATOM 1255 C ARG A 79 -14.508 -10.197 2.769 1.00 0.00 C ATOM 1256 O ARG A 79 -15.537 -10.856 2.872 1.00 0.00 O ATOM 1257 CB ARG A 79 -12.642 -11.635 3.731 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.193 -10.785 4.907 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.667 -11.679 6.008 1.00 0.00 C ATOM 1260 NE ARG A 79 -11.205 -10.955 7.215 1.00 0.00 N ATOM 1261 CZ ARG A 79 -11.997 -10.475 8.201 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -13.278 -10.266 7.975 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -11.458 -10.099 9.362 1.00 0.00 N ATOM 0 H ARG A 79 -11.485 -9.634 2.799 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.300 -11.582 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.434 -12.303 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.807 -12.263 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.418 -10.088 4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.027 -10.188 5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.451 -12.379 6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.840 -12.271 5.615 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.201 -10.805 7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.673 -10.466 7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.875 -9.904 8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.451 -10.174 9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.053 -9.737 10.107 1.00 0.00 H new ATOM 1277 N SER A 80 -14.493 -8.892 2.778 1.00 0.00 N ATOM 1278 CA SER A 80 -15.638 -8.068 3.073 1.00 0.00 C ATOM 1279 C SER A 80 -16.606 -7.920 1.865 1.00 0.00 C ATOM 1280 O SER A 80 -17.506 -7.072 1.877 1.00 0.00 O ATOM 1281 CB SER A 80 -15.087 -6.721 3.504 1.00 0.00 C ATOM 1282 OG SER A 80 -14.069 -6.928 4.491 1.00 0.00 O ATOM 0 H SER A 80 -13.653 -8.351 2.573 1.00 0.00 H new ATOM 0 HA SER A 80 -16.239 -8.530 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.676 -6.190 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.885 -6.100 3.911 1.00 0.00 H new ATOM 0 HG SER A 80 -13.707 -6.062 4.774 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.424 -8.743 0.839 1.00 0.00 N ATOM 1289 CA TRP A 81 -17.309 -8.708 -0.327 1.00 0.00 C ATOM 1290 C TRP A 81 -18.154 -9.953 -0.402 1.00 0.00 C ATOM 1291 O TRP A 81 -18.997 -10.096 -1.305 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.538 -8.681 -1.617 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.606 -7.568 -1.827 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.796 -6.249 -1.548 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.352 -7.682 -2.460 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.704 -5.532 -1.952 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.800 -6.397 -2.530 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.631 -8.773 -2.976 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.562 -6.161 -3.100 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.403 -8.533 -3.543 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.880 -7.237 -3.608 1.00 0.00 C ATOM 0 H TRP A 81 -15.679 -9.438 0.787 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.911 -7.807 -0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.974 -9.611 -1.691 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -17.256 -8.678 -2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.675 -5.832 -1.079 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.579 -4.525 -1.844 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.032 -9.774 -2.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.147 -5.165 -3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.833 -9.357 -3.945 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.916 -7.080 -4.069 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.922 -10.873 0.484 1.00 0.00 N ATOM 1313 CA TYR A 82 -18.597 -12.139 0.412 1.00 0.00 C ATOM 1314 C TYR A 82 -19.057 -12.507 1.812 1.00 0.00 C ATOM 1315 O TYR A 82 -18.741 -11.789 2.775 1.00 0.00 O ATOM 1316 CB TYR A 82 -17.620 -13.238 -0.070 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.772 -12.943 -1.304 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -15.570 -12.256 -1.188 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -17.138 -13.400 -2.557 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -14.767 -12.029 -2.271 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -16.338 -13.168 -3.660 1.00 0.00 C ATOM 1322 CZ TYR A 82 -15.150 -12.479 -3.506 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.339 -12.250 -4.591 1.00 0.00 O ATOM 0 H TYR A 82 -17.273 -10.775 1.265 1.00 0.00 H new ATOM 0 HA TYR A 82 -19.435 -12.064 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.944 -13.470 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -18.201 -14.139 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -15.262 -11.892 -0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.062 -13.946 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.835 -11.497 -2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.639 -13.522 -4.635 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.751 -12.633 -5.394 1.00 0.00 H new