USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 61 GLN : amide:sc= -1.42 K(o=-16,f=-14) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -14.7! C(o=-16!,f=-18!) USER MOD Set 2.1: A 27 ASN : amide:sc= -5.25! K(o=-5.7!,f=-3.5) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -145:sc= -0.431 (180deg=-1.19) USER MOD Single : A 2 SER OG : rot 31:sc= 0.00376 USER MOD Single : A 3 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.37) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 36:sc= -1.7! USER MOD Single : A 10 THR OG1 : rot -93:sc= 0.0334 USER MOD Single : A 13 MET CE :methyl -164:sc= -1.52 (180deg=-1.65!) USER MOD Single : A 17 ASN : amide:sc= -0.711 X(o=-0.71,f=-0.36) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.0106 (180deg=-0.181) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 150:sc= -2.05 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 176:sc= -4.83! (180deg=-5.05!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= 0.118 (180deg=0.0486) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -150:sc= -0.124 (180deg=-0.583) USER MOD Single : A 63 TYR OH : rot -43:sc= 0.225 USER MOD Single : A 67 MET CE :methyl -170:sc= 0 (180deg=-0.236) USER MOD Single : A 69 ASN : amide:sc= -0.834 K(o=-0.83,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -102:sc= 1.24 (180deg=-0.863) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.097 -21.047 12.478 1.00 0.00 N ATOM 2 CA SER A 2 -9.341 -20.291 12.401 1.00 0.00 C ATOM 3 C SER A 2 -9.340 -19.138 13.398 1.00 0.00 C ATOM 4 O SER A 2 -9.400 -19.351 14.609 1.00 0.00 O ATOM 5 CB SER A 2 -10.536 -21.208 12.666 1.00 0.00 C ATOM 6 OG SER A 2 -10.712 -22.135 11.608 1.00 0.00 O ATOM 0 HA SER A 2 -9.424 -19.878 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.386 -21.745 13.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.439 -20.609 12.783 1.00 0.00 H new ATOM 0 HG SER A 2 -9.843 -22.341 11.205 1.00 0.00 H new ATOM 12 N HIS A 3 -9.270 -17.915 12.882 1.00 0.00 N ATOM 13 CA HIS A 3 -9.261 -16.728 13.729 1.00 0.00 C ATOM 14 C HIS A 3 -9.412 -15.461 12.891 1.00 0.00 C ATOM 15 O HIS A 3 -8.572 -15.161 12.044 1.00 0.00 O ATOM 16 CB HIS A 3 -7.968 -16.663 14.543 1.00 0.00 C ATOM 17 CG HIS A 3 -6.742 -17.005 13.753 1.00 0.00 C ATOM 18 ND1 HIS A 3 -6.041 -18.180 13.923 1.00 0.00 N ATOM 19 CD2 HIS A 3 -6.093 -16.320 12.781 1.00 0.00 C ATOM 20 CE1 HIS A 3 -5.013 -18.202 13.092 1.00 0.00 C ATOM 21 NE2 HIS A 3 -5.023 -17.085 12.388 1.00 0.00 N ATOM 0 H HIS A 3 -9.219 -17.720 11.882 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.108 -16.795 14.412 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.857 -15.659 14.953 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.047 -17.346 15.389 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.367 -15.352 12.388 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.288 -18.998 13.004 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.346 -16.832 11.669 1.00 0.00 H new ATOM 30 N MET A 4 -10.492 -14.723 13.132 1.00 0.00 N ATOM 31 CA MET A 4 -10.754 -13.489 12.401 1.00 0.00 C ATOM 32 C MET A 4 -10.046 -12.302 13.053 1.00 0.00 C ATOM 33 O MET A 4 -9.353 -11.539 12.379 1.00 0.00 O ATOM 34 CB MET A 4 -12.260 -13.227 12.321 1.00 0.00 C ATOM 35 CG MET A 4 -12.854 -13.501 10.949 1.00 0.00 C ATOM 36 SD MET A 4 -12.514 -12.180 9.769 1.00 0.00 S ATOM 37 CE MET A 4 -13.394 -12.779 8.329 1.00 0.00 C ATOM 0 H MET A 4 -11.199 -14.959 13.828 1.00 0.00 H new ATOM 0 HA MET A 4 -10.361 -13.606 11.391 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.768 -13.849 13.058 1.00 0.00 H new ATOM 0 HB3 MET A 4 -12.454 -12.189 12.591 1.00 0.00 H new ATOM 0 HG2 MET A 4 -12.453 -14.439 10.564 1.00 0.00 H new ATOM 0 HG3 MET A 4 -13.932 -13.630 11.043 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.279 -12.068 7.510 1.00 0.00 H new ATOM 0 HE2 MET A 4 -12.988 -13.746 8.030 1.00 0.00 H new ATOM 0 HE3 MET A 4 -14.452 -12.888 8.568 1.00 0.00 H new ATOM 47 N PRO A 5 -10.209 -12.126 14.377 1.00 0.00 N ATOM 48 CA PRO A 5 -9.587 -11.028 15.119 1.00 0.00 C ATOM 49 C PRO A 5 -8.126 -11.313 15.452 1.00 0.00 C ATOM 50 O PRO A 5 -7.704 -11.182 16.600 1.00 0.00 O ATOM 51 CB PRO A 5 -10.430 -10.933 16.408 1.00 0.00 C ATOM 52 CG PRO A 5 -11.500 -11.977 16.278 1.00 0.00 C ATOM 53 CD PRO A 5 -11.011 -12.968 15.264 1.00 0.00 C ATOM 0 HA PRO A 5 -9.573 -10.104 14.542 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.816 -11.111 17.290 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.865 -9.940 16.518 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.686 -12.463 17.236 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.441 -11.529 15.960 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.418 -13.760 15.721 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.833 -13.450 14.735 1.00 0.00 H new ATOM 61 N LYS A 6 -7.356 -11.699 14.440 1.00 0.00 N ATOM 62 CA LYS A 6 -5.940 -12.001 14.624 1.00 0.00 C ATOM 63 C LYS A 6 -5.109 -10.720 14.619 1.00 0.00 C ATOM 64 O LYS A 6 -4.098 -10.626 13.923 1.00 0.00 O ATOM 65 CB LYS A 6 -5.451 -12.948 13.526 1.00 0.00 C ATOM 66 CG LYS A 6 -5.830 -12.501 12.124 1.00 0.00 C ATOM 67 CD LYS A 6 -4.800 -12.948 11.099 1.00 0.00 C ATOM 68 CE LYS A 6 -4.804 -12.046 9.875 1.00 0.00 C ATOM 69 NZ LYS A 6 -4.453 -12.791 8.635 1.00 0.00 N ATOM 0 H LYS A 6 -7.689 -11.810 13.482 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.818 -12.489 15.591 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.366 -13.035 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.862 -13.942 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.806 -12.909 11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.922 -11.415 12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.809 -12.944 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.008 -13.974 10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.789 -11.594 9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.095 -11.231 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.467 -12.141 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.502 -13.201 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.144 -13.552 8.480 1.00 0.00 H new ATOM 83 N ARG A 7 -5.557 -9.730 15.389 1.00 0.00 N ATOM 84 CA ARG A 7 -4.889 -8.445 15.478 1.00 0.00 C ATOM 85 C ARG A 7 -5.262 -7.593 14.285 1.00 0.00 C ATOM 86 O ARG A 7 -5.586 -8.108 13.215 1.00 0.00 O ATOM 87 CB ARG A 7 -3.373 -8.593 15.611 1.00 0.00 C ATOM 88 CG ARG A 7 -2.839 -7.996 16.904 1.00 0.00 C ATOM 89 CD ARG A 7 -1.373 -7.615 16.782 1.00 0.00 C ATOM 90 NE ARG A 7 -1.198 -6.178 16.581 1.00 0.00 N ATOM 91 CZ ARG A 7 -1.200 -5.284 17.568 1.00 0.00 C ATOM 92 NH1 ARG A 7 -1.375 -5.672 18.825 1.00 0.00 N ATOM 93 NH2 ARG A 7 -1.032 -3.998 17.295 1.00 0.00 N ATOM 0 H ARG A 7 -6.394 -9.802 15.967 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.228 -7.946 16.386 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.109 -9.650 15.567 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.888 -8.108 14.764 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.424 -7.114 17.167 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.962 -8.714 17.715 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.842 -7.923 17.683 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.926 -8.155 15.948 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.066 -5.840 15.628 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.509 -6.660 19.040 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.375 -4.982 19.576 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.901 -3.694 16.330 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.033 -3.312 18.050 1.00 0.00 H new ATOM 107 N ALA A 8 -5.267 -6.292 14.491 1.00 0.00 N ATOM 108 CA ALA A 8 -5.661 -5.369 13.450 1.00 0.00 C ATOM 109 C ALA A 8 -4.492 -4.875 12.606 1.00 0.00 C ATOM 110 O ALA A 8 -3.377 -5.391 12.690 1.00 0.00 O ATOM 111 CB ALA A 8 -6.404 -4.216 14.074 1.00 0.00 C ATOM 0 H ALA A 8 -5.002 -5.851 15.372 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.311 -5.906 12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.705 -3.514 13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.289 -4.590 14.589 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.755 -3.709 14.789 1.00 0.00 H new ATOM 117 N THR A 9 -4.786 -3.894 11.757 1.00 0.00 N ATOM 118 CA THR A 9 -3.808 -3.326 10.836 1.00 0.00 C ATOM 119 C THR A 9 -3.156 -2.057 11.348 1.00 0.00 C ATOM 120 O THR A 9 -3.834 -1.065 11.572 1.00 0.00 O ATOM 121 CB THR A 9 -4.507 -2.968 9.534 1.00 0.00 C ATOM 122 OG1 THR A 9 -5.692 -2.235 9.792 1.00 0.00 O ATOM 123 CG2 THR A 9 -4.890 -4.152 8.708 1.00 0.00 C ATOM 0 H THR A 9 -5.711 -3.470 11.689 1.00 0.00 H new ATOM 0 HA THR A 9 -3.033 -4.082 10.711 1.00 0.00 H new ATOM 0 HB THR A 9 -3.779 -2.380 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.551 -1.645 10.562 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.383 -3.815 7.796 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.996 -4.719 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.571 -4.787 9.275 1.00 0.00 H new ATOM 131 N THR A 10 -1.835 -2.075 11.479 1.00 0.00 N ATOM 132 CA THR A 10 -1.093 -0.902 11.906 1.00 0.00 C ATOM 133 C THR A 10 -1.320 0.216 10.914 1.00 0.00 C ATOM 134 O THR A 10 -1.632 -0.034 9.750 1.00 0.00 O ATOM 135 CB THR A 10 0.400 -1.221 12.004 1.00 0.00 C ATOM 136 OG1 THR A 10 0.798 -2.086 10.955 1.00 0.00 O ATOM 137 CG2 THR A 10 0.787 -1.877 13.312 1.00 0.00 C ATOM 0 H THR A 10 -1.256 -2.894 11.294 1.00 0.00 H new ATOM 0 HA THR A 10 -1.443 -0.594 12.891 1.00 0.00 H new ATOM 0 HB THR A 10 0.906 -0.258 11.935 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.746 -3.016 11.260 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.859 -2.076 13.316 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.538 -1.213 14.140 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.243 -2.815 13.424 1.00 0.00 H new ATOM 145 N ALA A 11 -1.149 1.445 11.370 1.00 0.00 N ATOM 146 CA ALA A 11 -1.319 2.602 10.511 1.00 0.00 C ATOM 147 C ALA A 11 -0.672 2.332 9.168 1.00 0.00 C ATOM 148 O ALA A 11 -1.214 2.667 8.115 1.00 0.00 O ATOM 149 CB ALA A 11 -0.702 3.831 11.158 1.00 0.00 C ATOM 0 H ALA A 11 -0.892 1.667 12.332 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.383 2.789 10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.836 4.693 10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.189 4.022 12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.362 3.661 11.321 1.00 0.00 H new ATOM 155 N PHE A 12 0.511 1.737 9.229 1.00 0.00 N ATOM 156 CA PHE A 12 1.287 1.422 8.036 1.00 0.00 C ATOM 157 C PHE A 12 0.701 0.252 7.259 1.00 0.00 C ATOM 158 O PHE A 12 0.800 0.197 6.036 1.00 0.00 O ATOM 159 CB PHE A 12 2.715 1.082 8.445 1.00 0.00 C ATOM 160 CG PHE A 12 3.722 1.275 7.347 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.848 0.335 6.338 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.548 2.389 7.331 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.779 0.500 5.332 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.479 2.558 6.326 1.00 0.00 C ATOM 165 CZ PHE A 12 5.595 1.612 5.326 1.00 0.00 C ATOM 0 H PHE A 12 0.959 1.460 10.102 1.00 0.00 H new ATOM 0 HA PHE A 12 1.265 2.297 7.386 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.996 1.701 9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.750 0.045 8.780 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.211 -0.537 6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.462 3.131 8.111 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.868 -0.241 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.117 3.430 6.321 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.324 1.743 4.540 1.00 0.00 H new ATOM 175 N MET A 13 0.104 -0.693 7.968 1.00 0.00 N ATOM 176 CA MET A 13 -0.470 -1.850 7.322 1.00 0.00 C ATOM 177 C MET A 13 -1.780 -1.466 6.678 1.00 0.00 C ATOM 178 O MET A 13 -1.929 -1.556 5.464 1.00 0.00 O ATOM 179 CB MET A 13 -0.680 -2.981 8.333 1.00 0.00 C ATOM 180 CG MET A 13 -1.381 -4.201 7.755 1.00 0.00 C ATOM 181 SD MET A 13 -0.261 -5.591 7.497 1.00 0.00 S ATOM 182 CE MET A 13 1.159 -4.752 6.803 1.00 0.00 C ATOM 0 H MET A 13 0.007 -0.677 8.983 1.00 0.00 H new ATOM 0 HA MET A 13 0.216 -2.208 6.554 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.289 -3.285 8.730 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.264 -2.602 9.172 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.183 -4.506 8.427 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.845 -3.933 6.806 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.817 -5.481 6.331 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.826 -4.028 6.059 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.700 -4.235 7.596 1.00 0.00 H new ATOM 192 N LEU A 14 -2.740 -1.051 7.494 1.00 0.00 N ATOM 193 CA LEU A 14 -4.044 -0.677 6.988 1.00 0.00 C ATOM 194 C LEU A 14 -3.939 0.288 5.827 1.00 0.00 C ATOM 195 O LEU A 14 -4.823 0.336 4.970 1.00 0.00 O ATOM 196 CB LEU A 14 -4.944 -0.190 8.148 1.00 0.00 C ATOM 197 CG LEU A 14 -5.156 1.314 8.410 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.372 1.713 9.624 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.792 2.226 7.264 1.00 0.00 C ATOM 0 H LEU A 14 -2.636 -0.967 8.505 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.535 -1.555 6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.930 -0.629 7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.543 -0.621 9.066 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.229 1.439 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.516 2.776 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.716 1.138 10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.314 1.515 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.978 3.261 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.737 2.101 7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.398 1.976 6.393 1.00 0.00 H new ATOM 211 N TRP A 15 -2.845 1.033 5.772 1.00 0.00 N ATOM 212 CA TRP A 15 -2.644 1.955 4.679 1.00 0.00 C ATOM 213 C TRP A 15 -1.900 1.255 3.571 1.00 0.00 C ATOM 214 O TRP A 15 -2.284 1.331 2.406 1.00 0.00 O ATOM 215 CB TRP A 15 -1.866 3.196 5.108 1.00 0.00 C ATOM 216 CG TRP A 15 -1.077 3.762 3.974 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.485 4.696 3.069 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.249 3.390 3.604 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.485 4.931 2.157 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.594 4.139 2.466 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.179 2.496 4.131 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.844 4.005 1.851 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.404 2.376 3.516 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.717 3.123 2.396 1.00 0.00 C ATOM 0 H TRP A 15 -2.096 1.014 6.464 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.625 2.284 4.335 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.558 3.950 5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.195 2.941 5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.451 5.179 3.069 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.535 5.587 1.377 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.943 1.908 5.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.103 4.582 0.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.133 1.687 3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.688 3.000 1.940 1.00 0.00 H new ATOM 235 N LEU A 16 -0.855 0.535 3.945 1.00 0.00 N ATOM 236 CA LEU A 16 -0.102 -0.206 2.964 1.00 0.00 C ATOM 237 C LEU A 16 -0.949 -1.331 2.429 1.00 0.00 C ATOM 238 O LEU A 16 -0.558 -2.006 1.513 1.00 0.00 O ATOM 239 CB LEU A 16 1.182 -0.795 3.526 1.00 0.00 C ATOM 240 CG LEU A 16 1.970 -1.595 2.490 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.529 -0.658 1.446 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.082 -2.397 3.148 1.00 0.00 C ATOM 0 H LEU A 16 -0.518 0.452 4.904 1.00 0.00 H new ATOM 0 HA LEU A 16 0.170 0.497 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.808 0.010 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.941 -1.441 4.370 1.00 0.00 H new ATOM 0 HG LEU A 16 1.297 -2.304 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.091 -1.230 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.711 -0.133 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.189 0.066 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.626 -2.957 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.766 -1.719 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.652 -3.091 3.870 1.00 0.00 H new ATOM 254 N ASN A 17 -2.106 -1.535 3.015 1.00 0.00 N ATOM 255 CA ASN A 17 -3.002 -2.586 2.598 1.00 0.00 C ATOM 256 C ASN A 17 -3.805 -2.135 1.379 1.00 0.00 C ATOM 257 O ASN A 17 -3.758 -2.735 0.275 1.00 0.00 O ATOM 258 CB ASN A 17 -3.951 -2.875 3.777 1.00 0.00 C ATOM 259 CG ASN A 17 -3.848 -4.296 4.286 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.694 -5.242 3.512 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.933 -4.449 5.602 1.00 0.00 N ATOM 0 H ASN A 17 -2.452 -0.976 3.795 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.445 -3.482 2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.729 -2.186 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.977 -2.680 3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.871 -5.381 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.061 -3.635 6.203 1.00 0.00 H new ATOM 268 N ASP A 18 -4.432 -0.987 1.574 1.00 0.00 N ATOM 269 CA ASP A 18 -5.202 -0.343 0.540 1.00 0.00 C ATOM 270 C ASP A 18 -4.283 0.224 -0.513 1.00 0.00 C ATOM 271 O ASP A 18 -4.670 0.384 -1.670 1.00 0.00 O ATOM 272 CB ASP A 18 -6.076 0.765 1.130 1.00 0.00 C ATOM 273 CG ASP A 18 -7.303 0.221 1.834 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.207 -0.092 3.039 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.361 0.107 1.180 1.00 0.00 O ATOM 0 H ASP A 18 -4.417 -0.479 2.459 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.853 -1.086 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.487 1.352 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.387 1.441 0.334 1.00 0.00 H new ATOM 280 N THR A 19 -3.054 0.526 -0.114 1.00 0.00 N ATOM 281 CA THR A 19 -2.076 1.069 -1.019 1.00 0.00 C ATOM 282 C THR A 19 -1.083 0.007 -1.439 1.00 0.00 C ATOM 283 O THR A 19 -0.479 0.129 -2.484 1.00 0.00 O ATOM 284 CB THR A 19 -1.370 2.235 -0.348 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.704 3.460 -0.975 1.00 0.00 O ATOM 286 CG2 THR A 19 0.139 2.126 -0.323 1.00 0.00 C ATOM 0 H THR A 19 -2.719 0.399 0.841 1.00 0.00 H new ATOM 0 HA THR A 19 -2.577 1.423 -1.920 1.00 0.00 H new ATOM 0 HB THR A 19 -1.722 2.205 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.239 4.196 -0.524 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.559 3.001 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.430 1.226 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.517 2.073 -1.344 1.00 0.00 H new ATOM 294 N ARG A 20 -0.917 -1.045 -0.633 1.00 0.00 N ATOM 295 CA ARG A 20 0.017 -2.112 -0.998 1.00 0.00 C ATOM 296 C ARG A 20 -0.326 -2.567 -2.374 1.00 0.00 C ATOM 297 O ARG A 20 0.537 -2.889 -3.197 1.00 0.00 O ATOM 298 CB ARG A 20 -0.064 -3.314 -0.052 1.00 0.00 C ATOM 299 CG ARG A 20 -0.114 -4.642 -0.772 1.00 0.00 C ATOM 300 CD ARG A 20 -0.036 -5.800 0.200 1.00 0.00 C ATOM 301 NE ARG A 20 1.270 -5.892 0.849 1.00 0.00 N ATOM 302 CZ ARG A 20 2.284 -6.621 0.387 1.00 0.00 C ATOM 303 NH1 ARG A 20 2.159 -7.311 -0.742 1.00 0.00 N ATOM 304 NH2 ARG A 20 3.429 -6.657 1.052 1.00 0.00 N ATOM 0 H ARG A 20 -1.403 -1.180 0.254 1.00 0.00 H new ATOM 0 HA ARG A 20 1.030 -1.714 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.799 -3.302 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.951 -3.215 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.036 -4.710 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.711 -4.704 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.810 -5.687 0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.243 -6.730 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 20 1.414 -5.365 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.282 -7.285 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.941 -7.867 -1.089 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.533 -6.127 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.206 -7.215 0.699 1.00 0.00 H new ATOM 318 N GLU A 21 -1.609 -2.539 -2.625 1.00 0.00 N ATOM 319 CA GLU A 21 -2.093 -2.910 -3.943 1.00 0.00 C ATOM 320 C GLU A 21 -1.632 -1.856 -4.951 1.00 0.00 C ATOM 321 O GLU A 21 -1.265 -2.161 -6.091 1.00 0.00 O ATOM 322 CB GLU A 21 -3.621 -3.028 -3.949 1.00 0.00 C ATOM 323 CG GLU A 21 -4.341 -1.694 -3.839 1.00 0.00 C ATOM 324 CD GLU A 21 -5.781 -1.844 -3.387 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.011 -2.493 -2.345 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.677 -1.313 -4.075 1.00 0.00 O ATOM 0 H GLU A 21 -2.330 -2.270 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.686 -3.883 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.934 -3.524 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.930 -3.666 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.808 -1.055 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.318 -1.192 -4.806 1.00 0.00 H new ATOM 333 N SER A 22 -1.680 -0.608 -4.501 1.00 0.00 N ATOM 334 CA SER A 22 -1.313 0.531 -5.332 1.00 0.00 C ATOM 335 C SER A 22 0.184 0.591 -5.590 1.00 0.00 C ATOM 336 O SER A 22 0.631 1.127 -6.599 1.00 0.00 O ATOM 337 CB SER A 22 -1.780 1.833 -4.678 1.00 0.00 C ATOM 338 OG SER A 22 -3.191 1.953 -4.730 1.00 0.00 O ATOM 0 H SER A 22 -1.972 -0.358 -3.556 1.00 0.00 H new ATOM 0 HA SER A 22 -1.810 0.405 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.448 1.862 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.321 2.683 -5.184 1.00 0.00 H new ATOM 0 HG SER A 22 -3.464 2.792 -4.304 1.00 0.00 H new ATOM 344 N ILE A 23 0.941 0.042 -4.662 1.00 0.00 N ATOM 345 CA ILE A 23 2.386 0.031 -4.752 1.00 0.00 C ATOM 346 C ILE A 23 2.841 -0.875 -5.869 1.00 0.00 C ATOM 347 O ILE A 23 3.764 -0.545 -6.615 1.00 0.00 O ATOM 348 CB ILE A 23 3.031 -0.429 -3.442 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.238 0.117 -2.249 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.491 0.004 -3.406 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.077 0.728 -1.147 1.00 0.00 C ATOM 0 H ILE A 23 0.572 -0.409 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 23 2.701 1.054 -4.955 1.00 0.00 H new ATOM 0 HB ILE A 23 3.008 -1.517 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.538 0.870 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.644 -0.693 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.945 -0.326 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.024 -0.442 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.550 1.090 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.426 1.085 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.759 -0.024 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.651 1.563 -1.548 1.00 0.00 H new ATOM 363 N LYS A 24 2.188 -2.019 -5.993 1.00 0.00 N ATOM 364 CA LYS A 24 2.545 -2.948 -7.043 1.00 0.00 C ATOM 365 C LYS A 24 2.093 -2.407 -8.400 1.00 0.00 C ATOM 366 O LYS A 24 2.671 -2.745 -9.432 1.00 0.00 O ATOM 367 CB LYS A 24 1.964 -4.333 -6.776 1.00 0.00 C ATOM 368 CG LYS A 24 3.009 -5.439 -6.784 1.00 0.00 C ATOM 369 CD LYS A 24 3.846 -5.424 -5.516 1.00 0.00 C ATOM 370 CE LYS A 24 4.883 -6.535 -5.521 1.00 0.00 C ATOM 371 NZ LYS A 24 4.252 -7.883 -5.534 1.00 0.00 N ATOM 0 H LYS A 24 1.422 -2.320 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 24 3.630 -3.051 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.460 -4.327 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.207 -4.553 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.516 -6.406 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.659 -5.321 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.345 -4.460 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.196 -5.535 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.527 -6.427 -6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.520 -6.441 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.969 -8.604 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.497 -7.920 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.849 -8.069 -6.475 1.00 0.00 H new ATOM 385 N ARG A 25 1.078 -1.536 -8.395 1.00 0.00 N ATOM 386 CA ARG A 25 0.600 -0.926 -9.642 1.00 0.00 C ATOM 387 C ARG A 25 1.669 0.021 -10.178 1.00 0.00 C ATOM 388 O ARG A 25 2.113 -0.083 -11.320 1.00 0.00 O ATOM 389 CB ARG A 25 -0.697 -0.137 -9.425 1.00 0.00 C ATOM 390 CG ARG A 25 -1.661 -0.767 -8.438 1.00 0.00 C ATOM 391 CD ARG A 25 -2.245 -2.060 -8.975 1.00 0.00 C ATOM 392 NE ARG A 25 -1.259 -3.137 -9.007 1.00 0.00 N ATOM 393 CZ ARG A 25 -1.342 -4.194 -9.814 1.00 0.00 C ATOM 394 NH1 ARG A 25 -2.372 -4.330 -10.640 1.00 0.00 N ATOM 395 NH2 ARG A 25 -0.395 -5.121 -9.793 1.00 0.00 N ATOM 0 H ARG A 25 0.578 -1.241 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 25 0.399 -1.727 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.444 0.864 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.202 -0.023 -10.384 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.144 -0.963 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.467 -0.067 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.090 -2.361 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.631 -1.893 -9.980 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.461 -3.077 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.107 -3.623 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.429 -5.142 -11.255 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.398 -5.026 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.459 -5.930 -10.411 1.00 0.00 H new ATOM 409 N GLU A 26 2.076 0.938 -9.307 1.00 0.00 N ATOM 410 CA GLU A 26 3.104 1.918 -9.634 1.00 0.00 C ATOM 411 C GLU A 26 4.430 1.209 -9.861 1.00 0.00 C ATOM 412 O GLU A 26 5.374 1.786 -10.400 1.00 0.00 O ATOM 413 CB GLU A 26 3.253 2.976 -8.533 1.00 0.00 C ATOM 414 CG GLU A 26 2.823 2.513 -7.152 1.00 0.00 C ATOM 415 CD GLU A 26 3.631 3.154 -6.041 1.00 0.00 C ATOM 416 OE1 GLU A 26 3.459 4.369 -5.809 1.00 0.00 O ATOM 417 OE2 GLU A 26 4.435 2.442 -5.404 1.00 0.00 O ATOM 0 H GLU A 26 1.705 1.023 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 26 2.801 2.434 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.295 3.291 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.666 3.853 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.768 2.745 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.923 1.429 -7.089 1.00 0.00 H new ATOM 424 N ASN A 27 4.484 -0.062 -9.465 1.00 0.00 N ATOM 425 CA ASN A 27 5.673 -0.860 -9.644 1.00 0.00 C ATOM 426 C ASN A 27 5.291 -2.325 -9.843 1.00 0.00 C ATOM 427 O ASN A 27 5.359 -3.127 -8.911 1.00 0.00 O ATOM 428 CB ASN A 27 6.611 -0.700 -8.449 1.00 0.00 C ATOM 429 CG ASN A 27 6.710 0.738 -7.977 1.00 0.00 C ATOM 430 OD1 ASN A 27 7.716 1.410 -8.204 1.00 0.00 O ATOM 431 ND2 ASN A 27 5.664 1.216 -7.314 1.00 0.00 N ATOM 0 H ASN A 27 3.710 -0.553 -9.018 1.00 0.00 H new ATOM 0 HA ASN A 27 6.200 -0.514 -10.533 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.259 -1.325 -7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.604 -1.059 -8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.674 2.176 -6.970 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.851 0.623 -7.149 1.00 0.00 H new ATOM 438 N PRO A 28 4.862 -2.687 -11.068 1.00 0.00 N ATOM 439 CA PRO A 28 4.442 -4.057 -11.395 1.00 0.00 C ATOM 440 C PRO A 28 5.611 -5.025 -11.552 1.00 0.00 C ATOM 441 O PRO A 28 5.656 -5.809 -12.501 1.00 0.00 O ATOM 442 CB PRO A 28 3.711 -3.887 -12.727 1.00 0.00 C ATOM 443 CG PRO A 28 4.355 -2.702 -13.357 1.00 0.00 C ATOM 444 CD PRO A 28 4.735 -1.782 -12.228 1.00 0.00 C ATOM 0 HA PRO A 28 3.835 -4.490 -10.600 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.814 -4.774 -13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.644 -3.725 -12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.233 -2.996 -13.932 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.671 -2.209 -14.048 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.670 -1.261 -12.434 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.975 -1.019 -12.060 1.00 0.00 H new ATOM 452 N GLY A 29 6.548 -4.970 -10.617 1.00 0.00 N ATOM 453 CA GLY A 29 7.699 -5.850 -10.665 1.00 0.00 C ATOM 454 C GLY A 29 8.502 -5.824 -9.380 1.00 0.00 C ATOM 455 O GLY A 29 9.659 -6.245 -9.355 1.00 0.00 O ATOM 0 H GLY A 29 6.532 -4.330 -9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.366 -6.869 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.341 -5.559 -11.497 1.00 0.00 H new ATOM 459 N ILE A 30 7.894 -5.320 -8.307 1.00 0.00 N ATOM 460 CA ILE A 30 8.565 -5.235 -7.031 1.00 0.00 C ATOM 461 C ILE A 30 8.354 -6.494 -6.212 1.00 0.00 C ATOM 462 O ILE A 30 8.228 -7.594 -6.750 1.00 0.00 O ATOM 463 CB ILE A 30 8.110 -3.994 -6.233 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.700 -4.165 -5.642 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.154 -2.781 -7.123 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.122 -2.889 -5.050 1.00 0.00 C ATOM 0 H ILE A 30 6.937 -4.967 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 30 9.631 -5.134 -7.237 1.00 0.00 H new ATOM 0 HB ILE A 30 8.796 -3.868 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.031 -4.528 -6.422 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.732 -4.932 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.833 -1.905 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.172 -2.629 -7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.489 -2.930 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.127 -3.090 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.768 -2.536 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.056 -2.125 -5.825 1.00 0.00 H new ATOM 478 N LYS A 31 8.341 -6.321 -4.908 1.00 0.00 N ATOM 479 CA LYS A 31 8.177 -7.399 -3.991 1.00 0.00 C ATOM 480 C LYS A 31 7.642 -6.872 -2.682 1.00 0.00 C ATOM 481 O LYS A 31 7.834 -5.710 -2.330 1.00 0.00 O ATOM 482 CB LYS A 31 9.522 -8.089 -3.799 1.00 0.00 C ATOM 483 CG LYS A 31 10.519 -7.280 -2.983 1.00 0.00 C ATOM 484 CD LYS A 31 11.952 -7.671 -3.308 1.00 0.00 C ATOM 485 CE LYS A 31 12.488 -8.696 -2.323 1.00 0.00 C ATOM 486 NZ LYS A 31 13.800 -9.250 -2.755 1.00 0.00 N ATOM 0 H LYS A 31 8.446 -5.410 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 31 7.462 -8.125 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.360 -9.049 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.954 -8.300 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.377 -6.218 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.331 -7.434 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.999 -8.077 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.585 -6.784 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.595 -8.234 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.769 -9.508 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.130 -9.945 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.694 -9.713 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.494 -8.479 -2.832 1.00 0.00 H new ATOM 500 N VAL A 32 6.982 -7.750 -1.975 1.00 0.00 N ATOM 501 CA VAL A 32 6.400 -7.465 -0.680 1.00 0.00 C ATOM 502 C VAL A 32 7.259 -6.511 0.155 1.00 0.00 C ATOM 503 O VAL A 32 6.749 -5.736 0.963 1.00 0.00 O ATOM 504 CB VAL A 32 6.233 -8.794 0.079 1.00 0.00 C ATOM 505 CG1 VAL A 32 6.747 -9.960 -0.754 1.00 0.00 C ATOM 506 CG2 VAL A 32 6.943 -8.765 1.418 1.00 0.00 C ATOM 0 H VAL A 32 6.827 -8.709 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 32 5.440 -6.974 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 32 5.167 -8.930 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.619 -10.889 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.186 -10.016 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.804 -9.812 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.803 -9.720 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.007 -8.590 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.530 -7.964 2.032 1.00 0.00 H new ATOM 516 N THR A 33 8.562 -6.614 -0.031 1.00 0.00 N ATOM 517 CA THR A 33 9.524 -5.802 0.719 1.00 0.00 C ATOM 518 C THR A 33 9.675 -4.394 0.148 1.00 0.00 C ATOM 519 O THR A 33 9.952 -3.444 0.886 1.00 0.00 O ATOM 520 CB THR A 33 10.888 -6.494 0.752 1.00 0.00 C ATOM 521 OG1 THR A 33 11.562 -6.334 -0.483 1.00 0.00 O ATOM 522 CG2 THR A 33 10.800 -7.977 1.042 1.00 0.00 C ATOM 0 H THR A 33 8.989 -7.256 -0.699 1.00 0.00 H new ATOM 0 HA THR A 33 9.133 -5.703 1.732 1.00 0.00 H new ATOM 0 HB THR A 33 11.436 -6.015 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.530 -6.327 -0.329 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.802 -8.406 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.331 -8.130 2.014 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.204 -8.464 0.270 1.00 0.00 H new ATOM 530 N GLU A 34 9.454 -4.243 -1.150 1.00 0.00 N ATOM 531 CA GLU A 34 9.538 -2.933 -1.778 1.00 0.00 C ATOM 532 C GLU A 34 8.221 -2.193 -1.578 1.00 0.00 C ATOM 533 O GLU A 34 8.163 -0.969 -1.637 1.00 0.00 O ATOM 534 CB GLU A 34 9.862 -3.078 -3.270 1.00 0.00 C ATOM 535 CG GLU A 34 9.314 -1.957 -4.142 1.00 0.00 C ATOM 536 CD GLU A 34 10.230 -1.618 -5.302 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.000 -2.504 -5.729 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.176 -0.468 -5.784 1.00 0.00 O ATOM 0 H GLU A 34 9.217 -5.005 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 34 10.340 -2.358 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.944 -3.122 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.463 -4.028 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.337 -2.247 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.164 -1.067 -3.531 1.00 0.00 H new ATOM 545 N ILE A 35 7.168 -2.957 -1.333 1.00 0.00 N ATOM 546 CA ILE A 35 5.862 -2.387 -1.112 1.00 0.00 C ATOM 547 C ILE A 35 5.844 -1.694 0.236 1.00 0.00 C ATOM 548 O ILE A 35 5.407 -0.551 0.368 1.00 0.00 O ATOM 549 CB ILE A 35 4.759 -3.464 -1.138 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.868 -4.320 -2.399 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.384 -2.824 -1.048 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.027 -5.575 -2.344 1.00 0.00 C ATOM 0 H ILE A 35 7.200 -3.975 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 35 5.663 -1.677 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 35 4.896 -4.111 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.565 -3.725 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.911 -4.596 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.619 -3.600 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.305 -2.261 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.240 -2.151 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.150 -6.137 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.345 -6.190 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.978 -5.305 -2.220 1.00 0.00 H new ATOM 564 N ALA A 36 6.330 -2.411 1.238 1.00 0.00 N ATOM 565 CA ALA A 36 6.375 -1.898 2.589 1.00 0.00 C ATOM 566 C ALA A 36 7.419 -0.798 2.757 1.00 0.00 C ATOM 567 O ALA A 36 7.321 0.017 3.673 1.00 0.00 O ATOM 568 CB ALA A 36 6.642 -3.029 3.568 1.00 0.00 C ATOM 0 H ALA A 36 6.700 -3.356 1.134 1.00 0.00 H new ATOM 0 HA ALA A 36 5.402 -1.454 2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.674 -2.632 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.846 -3.770 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.597 -3.497 3.331 1.00 0.00 H new ATOM 574 N LYS A 37 8.430 -0.783 1.895 1.00 0.00 N ATOM 575 CA LYS A 37 9.487 0.219 1.992 1.00 0.00 C ATOM 576 C LYS A 37 9.201 1.437 1.120 1.00 0.00 C ATOM 577 O LYS A 37 9.204 2.583 1.599 1.00 0.00 O ATOM 578 CB LYS A 37 10.831 -0.394 1.599 1.00 0.00 C ATOM 579 CG LYS A 37 11.539 -1.095 2.748 1.00 0.00 C ATOM 580 CD LYS A 37 12.327 -0.112 3.598 1.00 0.00 C ATOM 581 CE LYS A 37 12.518 -0.630 5.015 1.00 0.00 C ATOM 582 NZ LYS A 37 11.296 -0.439 5.845 1.00 0.00 N ATOM 0 H LYS A 37 8.540 -1.446 1.128 1.00 0.00 H new ATOM 0 HA LYS A 37 9.525 0.553 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.673 -1.108 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.479 0.391 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.806 -1.609 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.211 -1.856 2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.300 0.068 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.806 0.845 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.773 -1.689 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.357 -0.114 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.467 -0.805 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.066 0.574 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.501 -0.953 5.415 1.00 0.00 H new ATOM 596 N LYS A 38 8.945 1.195 -0.164 1.00 0.00 N ATOM 597 CA LYS A 38 8.665 2.274 -1.093 1.00 0.00 C ATOM 598 C LYS A 38 7.324 2.926 -0.784 1.00 0.00 C ATOM 599 O LYS A 38 7.020 4.006 -1.290 1.00 0.00 O ATOM 600 CB LYS A 38 8.718 1.756 -2.538 1.00 0.00 C ATOM 601 CG LYS A 38 7.372 1.674 -3.247 1.00 0.00 C ATOM 602 CD LYS A 38 7.025 2.989 -3.926 1.00 0.00 C ATOM 603 CE LYS A 38 7.493 3.007 -5.373 1.00 0.00 C ATOM 604 NZ LYS A 38 6.827 4.081 -6.159 1.00 0.00 N ATOM 0 H LYS A 38 8.927 0.263 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 38 9.432 3.040 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.376 2.405 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.170 0.764 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.397 0.875 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.594 1.417 -2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.947 3.146 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.486 3.814 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.573 3.152 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.288 2.040 -5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.670 3.752 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.913 4.316 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.432 4.927 -6.173 1.00 0.00 H new ATOM 618 N GLY A 39 6.535 2.281 0.064 1.00 0.00 N ATOM 619 CA GLY A 39 5.268 2.847 0.430 1.00 0.00 C ATOM 620 C GLY A 39 5.411 3.746 1.638 1.00 0.00 C ATOM 621 O GLY A 39 4.875 4.850 1.679 1.00 0.00 O ATOM 0 H GLY A 39 6.753 1.384 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.863 3.416 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.557 2.050 0.646 1.00 0.00 H new ATOM 625 N GLY A 40 6.150 3.273 2.625 1.00 0.00 N ATOM 626 CA GLY A 40 6.367 4.053 3.828 1.00 0.00 C ATOM 627 C GLY A 40 6.824 5.456 3.507 1.00 0.00 C ATOM 628 O GLY A 40 6.366 6.421 4.116 1.00 0.00 O ATOM 0 H GLY A 40 6.606 2.361 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.444 4.094 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.113 3.561 4.452 1.00 0.00 H new ATOM 632 N GLU A 41 7.720 5.569 2.534 1.00 0.00 N ATOM 633 CA GLU A 41 8.224 6.874 2.121 1.00 0.00 C ATOM 634 C GLU A 41 7.072 7.794 1.722 1.00 0.00 C ATOM 635 O GLU A 41 7.038 8.966 2.096 1.00 0.00 O ATOM 636 CB GLU A 41 9.182 6.717 0.945 1.00 0.00 C ATOM 637 CG GLU A 41 8.571 5.956 -0.218 1.00 0.00 C ATOM 638 CD GLU A 41 9.545 5.750 -1.362 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.566 6.469 -1.409 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.287 4.871 -2.210 1.00 0.00 O ATOM 0 H GLU A 41 8.110 4.780 2.019 1.00 0.00 H new ATOM 0 HA GLU A 41 8.754 7.318 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.494 7.704 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.079 6.198 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.220 4.986 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.699 6.498 -0.583 1.00 0.00 H new ATOM 647 N MET A 42 6.130 7.248 0.958 1.00 0.00 N ATOM 648 CA MET A 42 4.970 8.004 0.502 1.00 0.00 C ATOM 649 C MET A 42 3.972 8.191 1.632 1.00 0.00 C ATOM 650 O MET A 42 3.299 9.217 1.731 1.00 0.00 O ATOM 651 CB MET A 42 4.287 7.271 -0.649 1.00 0.00 C ATOM 652 CG MET A 42 3.415 6.114 -0.192 1.00 0.00 C ATOM 653 SD MET A 42 2.304 5.535 -1.483 1.00 0.00 S ATOM 654 CE MET A 42 3.010 3.924 -1.784 1.00 0.00 C ATOM 0 H MET A 42 6.149 6.279 0.641 1.00 0.00 H new ATOM 0 HA MET A 42 5.315 8.981 0.165 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.676 7.978 -1.209 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.048 6.895 -1.333 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.051 5.290 0.132 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.830 6.424 0.674 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.400 3.390 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.022 4.037 -2.172 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.040 3.360 -0.852 1.00 0.00 H new ATOM 664 N TRP A 43 3.878 7.170 2.470 1.00 0.00 N ATOM 665 CA TRP A 43 2.971 7.164 3.590 1.00 0.00 C ATOM 666 C TRP A 43 3.300 8.282 4.578 1.00 0.00 C ATOM 667 O TRP A 43 2.449 9.117 4.882 1.00 0.00 O ATOM 668 CB TRP A 43 3.047 5.776 4.216 1.00 0.00 C ATOM 669 CG TRP A 43 2.749 5.691 5.663 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.655 5.620 6.658 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.465 5.616 6.261 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.010 5.502 7.871 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.653 5.497 7.645 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.175 5.641 5.751 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.580 5.395 8.530 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.890 5.542 6.623 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.683 5.419 8.001 1.00 0.00 C ATOM 0 H TRP A 43 4.436 6.320 2.385 1.00 0.00 H new ATOM 0 HA TRP A 43 1.948 7.364 3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.354 5.123 3.685 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.049 5.380 4.049 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.726 5.651 6.525 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.463 5.430 8.782 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.007 5.736 4.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.739 5.301 9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.898 5.560 6.236 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.535 5.342 8.660 1.00 0.00 H new ATOM 688 N LYS A 44 4.532 8.298 5.078 1.00 0.00 N ATOM 689 CA LYS A 44 4.954 9.322 6.029 1.00 0.00 C ATOM 690 C LYS A 44 4.635 10.732 5.522 1.00 0.00 C ATOM 691 O LYS A 44 4.495 11.664 6.314 1.00 0.00 O ATOM 692 CB LYS A 44 6.454 9.195 6.310 1.00 0.00 C ATOM 693 CG LYS A 44 6.779 8.944 7.773 1.00 0.00 C ATOM 694 CD LYS A 44 7.280 7.526 8.000 1.00 0.00 C ATOM 695 CE LYS A 44 8.781 7.424 7.788 1.00 0.00 C ATOM 696 NZ LYS A 44 9.163 6.148 7.123 1.00 0.00 N ATOM 0 H LYS A 44 5.253 7.617 4.842 1.00 0.00 H new ATOM 0 HA LYS A 44 4.397 9.165 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.860 8.380 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.954 10.108 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.535 9.655 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.890 9.118 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.032 7.210 9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.768 6.845 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.120 8.264 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.289 7.499 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.195 6.118 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.863 5.346 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.699 6.088 6.194 1.00 0.00 H new ATOM 710 N GLU A 45 4.529 10.886 4.203 1.00 0.00 N ATOM 711 CA GLU A 45 4.236 12.189 3.608 1.00 0.00 C ATOM 712 C GLU A 45 2.883 12.188 2.895 1.00 0.00 C ATOM 713 O GLU A 45 2.746 12.733 1.800 1.00 0.00 O ATOM 714 CB GLU A 45 5.341 12.581 2.624 1.00 0.00 C ATOM 715 CG GLU A 45 6.532 13.256 3.285 1.00 0.00 C ATOM 716 CD GLU A 45 6.421 14.769 3.279 1.00 0.00 C ATOM 717 OE1 GLU A 45 5.370 15.288 3.708 1.00 0.00 O ATOM 718 OE2 GLU A 45 7.387 15.432 2.847 1.00 0.00 O ATOM 0 H GLU A 45 4.641 10.129 3.529 1.00 0.00 H new ATOM 0 HA GLU A 45 4.193 12.920 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.684 11.688 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.925 13.251 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.619 12.906 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.445 12.960 2.769 1.00 0.00 H new ATOM 725 N LEU A 46 1.888 11.570 3.523 1.00 0.00 N ATOM 726 CA LEU A 46 0.553 11.503 2.936 1.00 0.00 C ATOM 727 C LEU A 46 -0.520 11.945 3.942 1.00 0.00 C ATOM 728 O LEU A 46 -0.418 11.670 5.136 1.00 0.00 O ATOM 729 CB LEU A 46 0.313 10.086 2.375 1.00 0.00 C ATOM 730 CG LEU A 46 -0.850 9.291 2.963 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.245 8.163 2.031 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.486 8.738 4.326 1.00 0.00 C ATOM 0 H LEU A 46 1.978 11.112 4.430 1.00 0.00 H new ATOM 0 HA LEU A 46 0.481 12.204 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.155 10.171 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.225 9.507 2.519 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.699 9.965 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.075 7.606 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.548 8.575 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.396 7.495 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.329 8.175 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.378 8.081 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.245 9.560 5.000 1.00 0.00 H new ATOM 744 N LYS A 47 -1.537 12.662 3.446 1.00 0.00 N ATOM 745 CA LYS A 47 -2.622 13.175 4.295 1.00 0.00 C ATOM 746 C LYS A 47 -3.776 12.191 4.398 1.00 0.00 C ATOM 747 O LYS A 47 -4.891 12.553 4.772 1.00 0.00 O ATOM 748 CB LYS A 47 -3.126 14.518 3.764 1.00 0.00 C ATOM 749 CG LYS A 47 -3.676 14.445 2.348 1.00 0.00 C ATOM 750 CD LYS A 47 -5.197 14.473 2.338 1.00 0.00 C ATOM 751 CE LYS A 47 -5.761 13.628 1.208 1.00 0.00 C ATOM 752 NZ LYS A 47 -6.057 14.444 -0.002 1.00 0.00 N ATOM 0 H LYS A 47 -1.632 12.901 2.459 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.213 13.313 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.905 14.893 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.309 15.239 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.292 15.281 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.325 13.532 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.575 14.106 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.543 15.501 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.049 12.843 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.672 13.134 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.440 13.830 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.755 15.177 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.183 14.895 -0.339 1.00 0.00 H new ATOM 766 N ASP A 48 -3.480 10.940 4.112 1.00 0.00 N ATOM 767 CA ASP A 48 -4.453 9.874 4.215 1.00 0.00 C ATOM 768 C ASP A 48 -4.110 9.027 5.434 1.00 0.00 C ATOM 769 O ASP A 48 -4.922 8.240 5.907 1.00 0.00 O ATOM 770 CB ASP A 48 -4.450 9.015 2.949 1.00 0.00 C ATOM 771 CG ASP A 48 -5.563 9.391 1.991 1.00 0.00 C ATOM 772 OD1 ASP A 48 -5.807 10.604 1.813 1.00 0.00 O ATOM 773 OD2 ASP A 48 -6.191 8.476 1.420 1.00 0.00 O ATOM 0 H ASP A 48 -2.558 10.634 3.802 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.452 10.297 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.490 9.120 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.552 7.966 3.225 1.00 0.00 H new ATOM 778 N LYS A 49 -2.891 9.220 5.942 1.00 0.00 N ATOM 779 CA LYS A 49 -2.408 8.505 7.108 1.00 0.00 C ATOM 780 C LYS A 49 -3.032 9.074 8.369 1.00 0.00 C ATOM 781 O LYS A 49 -3.219 8.366 9.351 1.00 0.00 O ATOM 782 CB LYS A 49 -0.883 8.602 7.185 1.00 0.00 C ATOM 783 CG LYS A 49 -0.305 8.239 8.534 1.00 0.00 C ATOM 784 CD LYS A 49 0.215 9.463 9.266 1.00 0.00 C ATOM 785 CE LYS A 49 1.359 10.111 8.502 1.00 0.00 C ATOM 786 NZ LYS A 49 2.110 11.084 9.342 1.00 0.00 N ATOM 0 H LYS A 49 -2.217 9.878 5.551 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.692 7.456 7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.450 7.947 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.582 9.619 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.069 7.750 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.505 7.521 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.593 10.183 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.554 9.179 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.040 9.338 8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.965 10.620 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.881 11.503 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.466 11.836 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.508 10.594 10.169 1.00 0.00 H new ATOM 800 N SER A 50 -3.394 10.346 8.334 1.00 0.00 N ATOM 801 CA SER A 50 -4.036 10.952 9.481 1.00 0.00 C ATOM 802 C SER A 50 -5.437 10.380 9.608 1.00 0.00 C ATOM 803 O SER A 50 -5.996 10.286 10.702 1.00 0.00 O ATOM 804 CB SER A 50 -4.085 12.474 9.340 1.00 0.00 C ATOM 805 OG SER A 50 -5.054 13.036 10.208 1.00 0.00 O ATOM 0 H SER A 50 -3.256 10.967 7.537 1.00 0.00 H new ATOM 0 HA SER A 50 -3.462 10.728 10.380 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.105 12.895 9.563 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.318 12.739 8.309 1.00 0.00 H new ATOM 0 HG SER A 50 -5.064 14.010 10.100 1.00 0.00 H new ATOM 811 N LYS A 51 -5.988 9.989 8.464 1.00 0.00 N ATOM 812 CA LYS A 51 -7.324 9.405 8.417 1.00 0.00 C ATOM 813 C LYS A 51 -7.256 7.877 8.369 1.00 0.00 C ATOM 814 O LYS A 51 -8.250 7.198 8.622 1.00 0.00 O ATOM 815 CB LYS A 51 -8.112 9.939 7.217 1.00 0.00 C ATOM 816 CG LYS A 51 -7.473 9.640 5.874 1.00 0.00 C ATOM 817 CD LYS A 51 -7.742 8.211 5.432 1.00 0.00 C ATOM 818 CE LYS A 51 -7.605 8.058 3.925 1.00 0.00 C ATOM 819 NZ LYS A 51 -8.466 6.963 3.398 1.00 0.00 N ATOM 0 H LYS A 51 -5.530 10.066 7.556 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.844 9.696 9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.114 9.510 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.225 11.018 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.858 10.332 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.397 9.806 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.046 7.537 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.746 7.917 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.873 8.996 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.564 7.854 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.074 6.615 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.498 6.184 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.428 7.324 3.239 1.00 0.00 H new ATOM 833 N TRP A 52 -6.078 7.343 8.044 1.00 0.00 N ATOM 834 CA TRP A 52 -5.886 5.897 7.963 1.00 0.00 C ATOM 835 C TRP A 52 -5.167 5.364 9.200 1.00 0.00 C ATOM 836 O TRP A 52 -5.580 4.360 9.786 1.00 0.00 O ATOM 837 CB TRP A 52 -5.096 5.537 6.699 1.00 0.00 C ATOM 838 CG TRP A 52 -5.819 4.622 5.747 1.00 0.00 C ATOM 839 CD1 TRP A 52 -5.240 3.838 4.794 1.00 0.00 C ATOM 840 CD2 TRP A 52 -7.237 4.392 5.642 1.00 0.00 C ATOM 841 NE1 TRP A 52 -6.193 3.118 4.123 1.00 0.00 N ATOM 842 CE2 TRP A 52 -7.424 3.440 4.619 1.00 0.00 C ATOM 843 CE3 TRP A 52 -8.365 4.882 6.310 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -8.681 2.971 4.254 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -9.613 4.417 5.942 1.00 0.00 C ATOM 846 CH2 TRP A 52 -9.763 3.468 4.924 1.00 0.00 C ATOM 0 H TRP A 52 -5.244 7.891 7.833 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.870 5.430 7.915 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.838 6.456 6.173 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.159 5.065 6.994 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.179 3.791 4.596 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.012 2.450 3.374 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.262 5.611 7.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.798 2.239 3.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.489 4.793 6.449 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -10.752 3.122 4.663 1.00 0.00 H new ATOM 857 N GLU A 53 -4.097 6.042 9.607 1.00 0.00 N ATOM 858 CA GLU A 53 -3.342 5.621 10.783 1.00 0.00 C ATOM 859 C GLU A 53 -4.275 5.412 11.960 1.00 0.00 C ATOM 860 O GLU A 53 -4.028 4.572 12.825 1.00 0.00 O ATOM 861 CB GLU A 53 -2.270 6.656 11.143 1.00 0.00 C ATOM 862 CG GLU A 53 -2.740 7.738 12.106 1.00 0.00 C ATOM 863 CD GLU A 53 -2.392 7.424 13.548 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.189 7.440 13.885 1.00 0.00 O ATOM 865 OE2 GLU A 53 -3.321 7.163 14.341 1.00 0.00 O ATOM 0 H GLU A 53 -3.736 6.877 9.145 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.847 4.678 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.417 6.140 11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.917 7.130 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.289 8.690 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.820 7.858 12.014 1.00 0.00 H new ATOM 872 N ASP A 54 -5.345 6.189 11.985 1.00 0.00 N ATOM 873 CA ASP A 54 -6.310 6.095 13.054 1.00 0.00 C ATOM 874 C ASP A 54 -7.097 4.817 12.938 1.00 0.00 C ATOM 875 O ASP A 54 -7.477 4.229 13.945 1.00 0.00 O ATOM 876 CB ASP A 54 -7.239 7.309 13.071 1.00 0.00 C ATOM 877 CG ASP A 54 -7.823 7.572 14.446 1.00 0.00 C ATOM 878 OD1 ASP A 54 -8.401 6.635 15.035 1.00 0.00 O ATOM 879 OD2 ASP A 54 -7.701 8.716 14.933 1.00 0.00 O ATOM 0 H ASP A 54 -5.562 6.889 11.276 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.768 6.083 14.000 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.688 8.189 12.739 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.049 7.153 12.359 1.00 0.00 H new ATOM 884 N ALA A 55 -7.308 4.357 11.714 1.00 0.00 N ATOM 885 CA ALA A 55 -8.012 3.109 11.519 1.00 0.00 C ATOM 886 C ALA A 55 -7.289 2.035 12.316 1.00 0.00 C ATOM 887 O ALA A 55 -7.909 1.242 13.022 1.00 0.00 O ATOM 888 CB ALA A 55 -8.082 2.746 10.042 1.00 0.00 C ATOM 0 H ALA A 55 -7.006 4.823 10.858 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.041 3.201 11.868 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.616 1.803 9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.607 3.532 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.072 2.643 9.644 1.00 0.00 H new ATOM 894 N ALA A 56 -5.962 2.019 12.185 1.00 0.00 N ATOM 895 CA ALA A 56 -5.127 1.044 12.884 1.00 0.00 C ATOM 896 C ALA A 56 -5.353 1.110 14.387 1.00 0.00 C ATOM 897 O ALA A 56 -5.607 0.093 15.029 1.00 0.00 O ATOM 898 CB ALA A 56 -3.662 1.289 12.569 1.00 0.00 C ATOM 0 H ALA A 56 -5.442 2.673 11.599 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.407 0.049 12.539 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.049 0.557 13.095 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.500 1.194 11.495 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.384 2.293 12.890 1.00 0.00 H new ATOM 904 N ALA A 57 -5.282 2.319 14.944 1.00 0.00 N ATOM 905 CA ALA A 57 -5.505 2.508 16.373 1.00 0.00 C ATOM 906 C ALA A 57 -6.957 2.203 16.731 1.00 0.00 C ATOM 907 O ALA A 57 -7.301 2.029 17.896 1.00 0.00 O ATOM 908 CB ALA A 57 -5.142 3.927 16.783 1.00 0.00 C ATOM 0 H ALA A 57 -5.073 3.175 14.430 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.863 1.816 16.918 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.314 4.052 17.852 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.091 4.113 16.560 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.760 4.635 16.231 1.00 0.00 H new ATOM 914 N LYS A 58 -7.801 2.157 15.708 1.00 0.00 N ATOM 915 CA LYS A 58 -9.218 1.888 15.892 1.00 0.00 C ATOM 916 C LYS A 58 -9.516 0.396 15.783 1.00 0.00 C ATOM 917 O LYS A 58 -10.330 -0.138 16.539 1.00 0.00 O ATOM 918 CB LYS A 58 -10.053 2.688 14.874 1.00 0.00 C ATOM 919 CG LYS A 58 -10.835 1.835 13.880 1.00 0.00 C ATOM 920 CD LYS A 58 -11.789 2.680 13.047 1.00 0.00 C ATOM 921 CE LYS A 58 -11.420 2.654 11.572 1.00 0.00 C ATOM 922 NZ LYS A 58 -12.623 2.537 10.701 1.00 0.00 N ATOM 0 H LYS A 58 -7.525 2.304 14.737 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.495 2.208 16.896 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.753 3.322 15.418 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.388 3.350 14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.140 1.313 13.222 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.398 1.072 14.418 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.807 2.312 13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.774 3.708 13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.875 3.563 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.750 1.816 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.329 2.523 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.130 1.657 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.251 3.350 10.865 1.00 0.00 H new ATOM 936 N ASP A 59 -8.870 -0.281 14.837 1.00 0.00 N ATOM 937 CA ASP A 59 -9.112 -1.702 14.650 1.00 0.00 C ATOM 938 C ASP A 59 -8.290 -2.545 15.614 1.00 0.00 C ATOM 939 O ASP A 59 -8.766 -3.564 16.097 1.00 0.00 O ATOM 940 CB ASP A 59 -8.830 -2.103 13.202 1.00 0.00 C ATOM 941 CG ASP A 59 -9.348 -3.489 12.873 1.00 0.00 C ATOM 942 OD1 ASP A 59 -9.535 -4.292 13.813 1.00 0.00 O ATOM 943 OD2 ASP A 59 -9.569 -3.773 11.677 1.00 0.00 O ATOM 0 H ASP A 59 -8.186 0.126 14.199 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.163 -1.892 14.868 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.290 -1.378 12.531 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.756 -2.068 13.021 1.00 0.00 H new ATOM 948 N LYS A 60 -7.059 -2.130 15.896 1.00 0.00 N ATOM 949 CA LYS A 60 -6.215 -2.884 16.816 1.00 0.00 C ATOM 950 C LYS A 60 -6.794 -2.803 18.222 1.00 0.00 C ATOM 951 O LYS A 60 -6.931 -3.806 18.920 1.00 0.00 O ATOM 952 CB LYS A 60 -4.763 -2.368 16.776 1.00 0.00 C ATOM 953 CG LYS A 60 -4.231 -1.824 18.102 1.00 0.00 C ATOM 954 CD LYS A 60 -4.610 -0.365 18.303 1.00 0.00 C ATOM 955 CE LYS A 60 -3.379 0.521 18.423 1.00 0.00 C ATOM 956 NZ LYS A 60 -3.660 1.762 19.195 1.00 0.00 N ATOM 0 H LYS A 60 -6.629 -1.290 15.508 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.195 -3.929 16.508 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.114 -3.180 16.448 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.694 -1.581 16.025 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.627 -2.420 18.925 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.146 -1.925 18.128 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.221 -0.028 17.466 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.219 -0.267 19.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.578 -0.035 18.909 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.024 0.786 17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.045 2.529 18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.656 2.033 19.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.476 1.592 20.204 1.00 0.00 H new ATOM 970 N GLN A 61 -7.140 -1.593 18.616 1.00 0.00 N ATOM 971 CA GLN A 61 -7.715 -1.341 19.913 1.00 0.00 C ATOM 972 C GLN A 61 -9.118 -1.929 19.974 1.00 0.00 C ATOM 973 O GLN A 61 -9.625 -2.234 21.046 1.00 0.00 O ATOM 974 CB GLN A 61 -7.718 0.165 20.206 1.00 0.00 C ATOM 975 CG GLN A 61 -9.046 0.720 20.705 1.00 0.00 C ATOM 976 CD GLN A 61 -8.901 1.504 21.995 1.00 0.00 C ATOM 977 OE1 GLN A 61 -9.495 2.569 22.159 1.00 0.00 O ATOM 978 NE2 GLN A 61 -8.107 0.974 22.918 1.00 0.00 N ATOM 0 H GLN A 61 -7.028 -0.758 18.041 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.112 -1.824 20.682 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.950 0.377 20.950 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.437 0.697 19.297 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.477 1.364 19.939 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.744 -0.102 20.860 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.635 0.088 22.737 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.969 1.453 23.808 1.00 0.00 H new ATOM 987 N ARG A 62 -9.748 -2.100 18.824 1.00 0.00 N ATOM 988 CA ARG A 62 -11.075 -2.672 18.807 1.00 0.00 C ATOM 989 C ARG A 62 -11.011 -4.189 18.700 1.00 0.00 C ATOM 990 O ARG A 62 -11.992 -4.884 18.966 1.00 0.00 O ATOM 991 CB ARG A 62 -11.909 -2.124 17.659 1.00 0.00 C ATOM 992 CG ARG A 62 -13.140 -2.968 17.399 1.00 0.00 C ATOM 993 CD ARG A 62 -13.953 -2.434 16.237 1.00 0.00 C ATOM 994 NE ARG A 62 -13.159 -2.343 15.015 1.00 0.00 N ATOM 995 CZ ARG A 62 -13.574 -1.735 13.905 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.771 -1.164 13.861 1.00 0.00 N ATOM 997 NH2 ARG A 62 -12.788 -1.696 12.837 1.00 0.00 N ATOM 0 H ARG A 62 -9.368 -1.855 17.910 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.551 -2.394 19.747 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.212 -1.102 17.886 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.300 -2.083 16.756 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.839 -3.995 17.191 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.760 -2.993 18.295 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.811 -3.084 16.065 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.345 -1.449 16.490 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.233 -2.770 15.011 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.379 -1.189 14.680 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.084 -0.700 13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.866 -2.132 12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.106 -1.230 11.987 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.857 -4.698 18.313 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.681 -6.134 18.174 1.00 0.00 C ATOM 1013 C TYR A 63 -9.318 -6.705 19.517 1.00 0.00 C ATOM 1014 O TYR A 63 -9.857 -7.716 19.948 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.590 -6.466 17.141 1.00 0.00 C ATOM 1016 CG TYR A 63 -7.440 -7.282 17.702 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -7.509 -8.668 17.763 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -6.294 -6.663 18.186 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -6.469 -9.412 18.288 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -5.252 -7.400 18.714 1.00 0.00 C ATOM 1021 CZ TYR A 63 -5.343 -8.774 18.761 1.00 0.00 C ATOM 1022 OH TYR A 63 -4.308 -9.512 19.287 1.00 0.00 O ATOM 0 H TYR A 63 -9.030 -4.143 18.090 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.612 -6.575 17.818 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.041 -7.013 16.314 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.197 -5.536 16.731 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.390 -9.173 17.394 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.217 -5.586 18.149 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.539 -10.489 18.327 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.370 -6.902 19.088 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.669 -10.216 19.866 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.412 -6.019 20.179 1.00 0.00 N ATOM 1033 CA HIS A 64 -7.973 -6.400 21.475 1.00 0.00 C ATOM 1034 C HIS A 64 -9.073 -6.075 22.476 1.00 0.00 C ATOM 1035 O HIS A 64 -9.213 -6.703 23.512 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.668 -5.645 21.783 1.00 0.00 C ATOM 1037 CG HIS A 64 -6.884 -4.344 22.451 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -7.753 -3.424 21.961 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.345 -3.807 23.561 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -7.753 -2.363 22.727 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -6.905 -2.562 23.718 1.00 0.00 N ATOM 0 H HIS A 64 -7.965 -5.177 19.818 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.771 -7.469 21.535 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.037 -6.269 22.416 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.124 -5.481 20.853 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.611 -4.267 24.206 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.347 -1.474 22.574 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.700 -1.905 24.471 1.00 0.00 H new ATOM 1050 N ASP A 65 -9.856 -5.066 22.148 1.00 0.00 N ATOM 1051 CA ASP A 65 -10.915 -4.636 23.012 1.00 0.00 C ATOM 1052 C ASP A 65 -11.926 -5.731 23.234 1.00 0.00 C ATOM 1053 O ASP A 65 -12.855 -5.556 24.024 1.00 0.00 O ATOM 1054 CB ASP A 65 -11.611 -3.415 22.428 1.00 0.00 C ATOM 1055 CG ASP A 65 -11.283 -2.140 23.181 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -10.243 -2.110 23.872 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -12.067 -1.173 23.079 1.00 0.00 O ATOM 0 H ASP A 65 -9.770 -4.532 21.283 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.469 -4.379 23.973 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.320 -3.301 21.384 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.689 -3.574 22.443 1.00 0.00 H new ATOM 1062 N GLU A 66 -11.785 -6.858 22.543 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.747 -7.891 22.728 1.00 0.00 C ATOM 1064 C GLU A 66 -12.271 -9.189 22.150 1.00 0.00 C ATOM 1065 O GLU A 66 -12.667 -10.264 22.600 1.00 0.00 O ATOM 1066 CB GLU A 66 -14.066 -7.487 22.077 1.00 0.00 C ATOM 1067 CG GLU A 66 -13.899 -6.862 20.700 1.00 0.00 C ATOM 1068 CD GLU A 66 -14.390 -5.427 20.645 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.421 -4.770 21.707 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.744 -4.963 19.542 1.00 0.00 O ATOM 0 H GLU A 66 -11.037 -7.058 21.879 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.893 -8.032 23.799 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.704 -8.366 21.993 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.581 -6.780 22.728 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.847 -6.893 20.417 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.444 -7.457 19.967 1.00 0.00 H new ATOM 1077 N MET A 67 -11.450 -9.096 21.126 1.00 0.00 N ATOM 1078 CA MET A 67 -10.954 -10.257 20.454 1.00 0.00 C ATOM 1079 C MET A 67 -9.433 -10.308 20.497 1.00 0.00 C ATOM 1080 O MET A 67 -8.823 -11.050 19.726 1.00 0.00 O ATOM 1081 CB MET A 67 -11.428 -10.183 19.010 1.00 0.00 C ATOM 1082 CG MET A 67 -12.803 -9.542 18.864 1.00 0.00 C ATOM 1083 SD MET A 67 -13.359 -9.434 17.153 1.00 0.00 S ATOM 1084 CE MET A 67 -14.915 -8.571 17.356 1.00 0.00 C ATOM 0 H MET A 67 -11.114 -8.212 20.744 1.00 0.00 H new ATOM 0 HA MET A 67 -11.325 -11.157 20.945 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.705 -9.615 18.425 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.456 -11.189 18.591 1.00 0.00 H new ATOM 0 HG2 MET A 67 -13.528 -10.118 19.439 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.778 -8.541 19.295 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.464 -8.584 16.414 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.506 -9.064 18.128 1.00 0.00 H new ATOM 0 HE3 MET A 67 -14.723 -7.539 17.650 1.00 0.00 H new ATOM 1094 N ARG A 68 -8.806 -9.526 21.393 1.00 0.00 N ATOM 1095 CA ARG A 68 -7.342 -9.542 21.481 1.00 0.00 C ATOM 1096 C ARG A 68 -6.853 -10.962 21.429 1.00 0.00 C ATOM 1097 O ARG A 68 -5.901 -11.282 20.717 1.00 0.00 O ATOM 1098 CB ARG A 68 -6.790 -8.883 22.761 1.00 0.00 C ATOM 1099 CG ARG A 68 -7.723 -8.848 23.954 1.00 0.00 C ATOM 1100 CD ARG A 68 -7.408 -7.638 24.824 1.00 0.00 C ATOM 1101 NE ARG A 68 -7.283 -7.986 26.236 1.00 0.00 N ATOM 1102 CZ ARG A 68 -6.311 -8.751 26.729 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -5.377 -9.248 25.928 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -6.272 -9.019 28.027 1.00 0.00 N ATOM 0 H ARG A 68 -9.274 -8.896 22.045 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.980 -8.959 20.634 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.881 -9.410 23.053 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.502 -7.859 22.522 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.758 -8.804 23.616 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.617 -9.763 24.537 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.480 -7.180 24.482 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.195 -6.893 24.704 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.982 -7.622 26.884 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.401 -9.045 24.929 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.635 -9.833 26.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.987 -8.639 28.648 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.527 -9.605 28.405 1.00 0.00 H new ATOM 1118 N ASN A 69 -7.490 -11.810 22.214 1.00 0.00 N ATOM 1119 CA ASN A 69 -7.088 -13.213 22.281 1.00 0.00 C ATOM 1120 C ASN A 69 -8.157 -14.155 21.724 1.00 0.00 C ATOM 1121 O ASN A 69 -8.150 -15.349 22.018 1.00 0.00 O ATOM 1122 CB ASN A 69 -6.773 -13.589 23.732 1.00 0.00 C ATOM 1123 CG ASN A 69 -8.014 -13.635 24.605 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -8.534 -14.709 24.908 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -8.497 -12.467 25.015 1.00 0.00 N ATOM 0 H ASN A 69 -8.280 -11.562 22.810 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.200 -13.328 21.660 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.282 -14.562 23.753 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.069 -12.867 24.146 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.329 -12.438 25.604 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.035 -11.600 24.741 1.00 0.00 H new ATOM 1132 N TYR A 70 -9.073 -13.617 20.927 1.00 0.00 N ATOM 1133 CA TYR A 70 -10.144 -14.420 20.340 1.00 0.00 C ATOM 1134 C TYR A 70 -9.599 -15.706 19.719 1.00 0.00 C ATOM 1135 O TYR A 70 -10.295 -16.719 19.655 1.00 0.00 O ATOM 1136 CB TYR A 70 -10.890 -13.609 19.283 1.00 0.00 C ATOM 1137 CG TYR A 70 -12.379 -13.512 19.531 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -12.873 -13.105 20.764 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -13.290 -13.828 18.531 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -14.233 -13.016 20.993 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -14.652 -13.741 18.752 1.00 0.00 C ATOM 1142 CZ TYR A 70 -15.118 -13.334 19.985 1.00 0.00 C ATOM 1143 OH TYR A 70 -16.473 -13.247 20.210 1.00 0.00 O ATOM 0 H TYR A 70 -9.097 -12.630 20.672 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.833 -14.694 21.139 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.470 -12.604 19.246 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.722 -14.061 18.305 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.183 -12.854 21.556 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.928 -14.147 17.565 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.601 -12.699 21.958 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.347 -13.990 17.964 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.957 -13.505 19.398 1.00 0.00 H new ATOM 1153 N LYS A 71 -8.349 -15.657 19.264 1.00 0.00 N ATOM 1154 CA LYS A 71 -7.711 -16.817 18.648 1.00 0.00 C ATOM 1155 C LYS A 71 -7.816 -18.047 19.550 1.00 0.00 C ATOM 1156 O LYS A 71 -7.140 -18.130 20.576 1.00 0.00 O ATOM 1157 CB LYS A 71 -6.240 -16.514 18.352 1.00 0.00 C ATOM 1158 CG LYS A 71 -5.443 -16.115 19.583 1.00 0.00 C ATOM 1159 CD LYS A 71 -4.150 -15.410 19.204 1.00 0.00 C ATOM 1160 CE LYS A 71 -3.112 -16.391 18.686 1.00 0.00 C ATOM 1161 NZ LYS A 71 -2.222 -16.887 19.772 1.00 0.00 N ATOM 0 H LYS A 71 -7.758 -14.827 19.310 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.231 -17.031 17.714 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.780 -17.393 17.900 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.184 -15.711 17.617 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.046 -15.459 20.211 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.215 -17.002 20.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.354 -14.658 18.441 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.753 -14.884 20.072 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.615 -17.236 18.215 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.510 -15.909 17.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.309 -16.391 19.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.667 -16.708 20.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.067 -17.909 19.654 1.00 0.00 H new ATOM 1175 N PRO A 72 -8.667 -19.022 19.182 1.00 0.00 N ATOM 1176 CA PRO A 72 -8.851 -20.246 19.969 1.00 0.00 C ATOM 1177 C PRO A 72 -7.654 -21.185 19.869 1.00 0.00 C ATOM 1178 O PRO A 72 -6.666 -20.877 19.202 1.00 0.00 O ATOM 1179 CB PRO A 72 -10.088 -20.888 19.341 1.00 0.00 C ATOM 1180 CG PRO A 72 -10.090 -20.402 17.933 1.00 0.00 C ATOM 1181 CD PRO A 72 -9.517 -19.011 17.974 1.00 0.00 C ATOM 0 HA PRO A 72 -8.957 -20.034 21.033 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.035 -21.976 19.385 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.997 -20.592 19.864 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.491 -21.052 17.295 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.100 -20.396 17.524 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.937 -18.789 17.078 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.301 -18.256 18.042 1.00 0.00 H new ATOM 1189 N GLU A 73 -7.750 -22.330 20.537 1.00 0.00 N ATOM 1190 CA GLU A 73 -6.677 -23.319 20.526 1.00 0.00 C ATOM 1191 C GLU A 73 -5.412 -22.757 21.171 1.00 0.00 C ATOM 1192 O GLU A 73 -5.116 -23.044 22.331 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.381 -23.770 19.093 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.152 -25.012 18.676 1.00 0.00 C ATOM 1195 CD GLU A 73 -8.648 -24.863 18.873 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -9.126 -25.105 20.001 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -9.342 -24.505 17.898 1.00 0.00 O ATOM 0 H GLU A 73 -8.562 -22.597 21.094 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.006 -24.181 21.107 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.620 -22.957 18.408 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.313 -23.965 18.995 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.947 -25.227 17.627 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.797 -25.866 19.252 1.00 0.00 H new ATOM 1204 N ALA A 74 -4.667 -21.958 20.412 1.00 0.00 N ATOM 1205 CA ALA A 74 -3.437 -21.359 20.912 1.00 0.00 C ATOM 1206 C ALA A 74 -2.833 -20.407 19.885 1.00 0.00 C ATOM 1207 O ALA A 74 -2.165 -19.436 20.299 1.00 0.00 O ATOM 1208 CB ALA A 74 -2.435 -22.443 21.282 1.00 0.00 C ATOM 1209 OXT ALA A 74 -3.031 -20.641 18.674 1.00 0.00 O ATOM 0 H ALA A 74 -4.895 -21.711 19.449 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.679 -20.783 21.805 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.520 -21.981 21.654 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.860 -23.082 22.056 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.206 -23.043 20.401 1.00 0.00 H new TER 1215 ALA A 74