USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 728 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -153:sc= -0.203 (180deg=-0.825) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0.0206 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.345 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 39 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.46) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 63 HIS : no HD1:sc= -4.05! C(o=-4!,f=-5.2!) USER MOD Single : A 65 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 69 SER OG : rot -67:sc=-0.00726 USER MOD Single : A 71 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.313 K(o=0.31,f=-2.6!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.806 -1.115 -6.115 1.00 0.00 N ATOM 2 CA GLY A 1 15.606 0.025 -5.710 1.00 0.00 C ATOM 3 C GLY A 1 15.248 1.285 -6.473 1.00 0.00 C ATOM 4 O GLY A 1 15.145 1.268 -7.699 1.00 0.00 O ATOM 0 H1 GLY A 1 15.089 -1.951 -5.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.800 -0.912 -5.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.954 -1.301 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.470 0.199 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.661 -0.202 -5.864 1.00 0.00 H new ATOM 8 N SER A 2 15.056 2.381 -5.746 1.00 0.00 N ATOM 9 CA SER A 2 14.702 3.655 -6.361 1.00 0.00 C ATOM 10 C SER A 2 15.344 4.818 -5.611 1.00 0.00 C ATOM 11 O SER A 2 15.164 4.967 -4.403 1.00 0.00 O ATOM 12 CB SER A 2 13.182 3.827 -6.388 1.00 0.00 C ATOM 13 OG SER A 2 12.557 2.739 -7.045 1.00 0.00 O ATOM 0 H SER A 2 15.140 2.412 -4.730 1.00 0.00 H new ATOM 0 HA SER A 2 15.079 3.654 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.804 3.906 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.927 4.757 -6.896 1.00 0.00 H new ATOM 0 HG SER A 2 11.586 2.872 -7.047 1.00 0.00 H new ATOM 19 N SER A 3 16.094 5.640 -6.338 1.00 0.00 N ATOM 20 CA SER A 3 16.767 6.788 -5.742 1.00 0.00 C ATOM 21 C SER A 3 15.924 8.051 -5.894 1.00 0.00 C ATOM 22 O SER A 3 15.680 8.518 -7.005 1.00 0.00 O ATOM 23 CB SER A 3 18.138 6.996 -6.389 1.00 0.00 C ATOM 24 OG SER A 3 18.883 7.984 -5.699 1.00 0.00 O ATOM 0 H SER A 3 16.251 5.532 -7.340 1.00 0.00 H new ATOM 0 HA SER A 3 16.902 6.587 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.689 6.056 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.011 7.293 -7.430 1.00 0.00 H new ATOM 0 HG SER A 3 19.755 8.097 -6.131 1.00 0.00 H new ATOM 30 N GLY A 4 15.481 8.599 -4.766 1.00 0.00 N ATOM 31 CA GLY A 4 14.670 9.802 -4.794 1.00 0.00 C ATOM 32 C GLY A 4 13.265 9.542 -5.298 1.00 0.00 C ATOM 33 O GLY A 4 13.042 9.423 -6.503 1.00 0.00 O ATOM 0 H GLY A 4 15.670 8.231 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.620 10.226 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.150 10.545 -5.431 1.00 0.00 H new ATOM 37 N SER A 5 12.314 9.452 -4.374 1.00 0.00 N ATOM 38 CA SER A 5 10.923 9.199 -4.731 1.00 0.00 C ATOM 39 C SER A 5 9.999 10.221 -4.075 1.00 0.00 C ATOM 40 O SER A 5 9.954 10.337 -2.851 1.00 0.00 O ATOM 41 CB SER A 5 10.516 7.784 -4.312 1.00 0.00 C ATOM 42 OG SER A 5 11.123 6.812 -5.146 1.00 0.00 O ATOM 0 H SER A 5 12.481 9.550 -3.373 1.00 0.00 H new ATOM 0 HA SER A 5 10.829 9.292 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.805 7.611 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.432 7.684 -4.361 1.00 0.00 H new ATOM 0 HG SER A 5 10.849 5.916 -4.857 1.00 0.00 H new ATOM 48 N SER A 6 9.263 10.959 -4.900 1.00 0.00 N ATOM 49 CA SER A 6 8.343 11.974 -4.402 1.00 0.00 C ATOM 50 C SER A 6 6.906 11.462 -4.424 1.00 0.00 C ATOM 51 O SER A 6 6.415 10.998 -5.453 1.00 0.00 O ATOM 52 CB SER A 6 8.454 13.249 -5.240 1.00 0.00 C ATOM 53 OG SER A 6 7.738 14.316 -4.643 1.00 0.00 O ATOM 0 H SER A 6 9.286 10.873 -5.916 1.00 0.00 H new ATOM 0 HA SER A 6 8.615 12.200 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.503 13.526 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.068 13.064 -6.242 1.00 0.00 H new ATOM 0 HG SER A 6 7.826 15.120 -5.197 1.00 0.00 H new ATOM 59 N GLY A 7 6.235 11.550 -3.279 1.00 0.00 N ATOM 60 CA GLY A 7 4.861 11.092 -3.187 1.00 0.00 C ATOM 61 C GLY A 7 4.266 11.319 -1.811 1.00 0.00 C ATOM 62 O GLY A 7 4.731 12.175 -1.060 1.00 0.00 O ATOM 0 H GLY A 7 6.619 11.930 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.257 11.612 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.818 10.030 -3.427 1.00 0.00 H new ATOM 66 N MET A 8 3.232 10.551 -1.482 1.00 0.00 N ATOM 67 CA MET A 8 2.571 10.674 -0.188 1.00 0.00 C ATOM 68 C MET A 8 3.107 9.638 0.796 1.00 0.00 C ATOM 69 O MET A 8 4.003 8.862 0.466 1.00 0.00 O ATOM 70 CB MET A 8 1.059 10.509 -0.345 1.00 0.00 C ATOM 71 CG MET A 8 0.402 11.639 -1.121 1.00 0.00 C ATOM 72 SD MET A 8 0.111 13.101 -0.107 1.00 0.00 S ATOM 73 CE MET A 8 -1.120 12.480 1.037 1.00 0.00 C ATOM 0 H MET A 8 2.834 9.838 -2.093 1.00 0.00 H new ATOM 0 HA MET A 8 2.781 11.668 0.206 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.855 9.565 -0.851 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.604 10.445 0.643 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.034 11.909 -1.967 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.546 11.290 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.738 13.306 1.390 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.748 11.746 0.532 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.623 12.010 1.886 1.00 0.00 H new ATOM 83 N GLU A 9 2.553 9.634 2.004 1.00 0.00 N ATOM 84 CA GLU A 9 2.978 8.694 3.035 1.00 0.00 C ATOM 85 C GLU A 9 1.776 7.983 3.652 1.00 0.00 C ATOM 86 O GLU A 9 0.937 8.608 4.302 1.00 0.00 O ATOM 87 CB GLU A 9 3.768 9.421 4.125 1.00 0.00 C ATOM 88 CG GLU A 9 5.171 9.820 3.697 1.00 0.00 C ATOM 89 CD GLU A 9 6.050 10.209 4.869 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.157 9.410 5.822 1.00 0.00 O ATOM 91 OE2 GLU A 9 6.632 11.314 4.832 1.00 0.00 O ATOM 0 H GLU A 9 1.810 10.270 2.293 1.00 0.00 H new ATOM 0 HA GLU A 9 3.620 7.947 2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.220 10.315 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.834 8.779 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.633 8.991 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.110 10.656 3.000 1.00 0.00 H new ATOM 98 N LEU A 10 1.700 6.674 3.442 1.00 0.00 N ATOM 99 CA LEU A 10 0.601 5.877 3.976 1.00 0.00 C ATOM 100 C LEU A 10 1.058 5.057 5.179 1.00 0.00 C ATOM 101 O LEU A 10 1.925 4.191 5.062 1.00 0.00 O ATOM 102 CB LEU A 10 0.045 4.949 2.895 1.00 0.00 C ATOM 103 CG LEU A 10 -1.429 4.567 3.030 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.321 5.749 2.681 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.754 3.372 2.147 1.00 0.00 C ATOM 0 H LEU A 10 2.386 6.142 2.906 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.185 6.559 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.188 5.427 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.638 4.034 2.890 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.619 4.289 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.367 5.458 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.107 6.578 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.129 6.059 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.808 3.115 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.548 3.622 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.140 2.522 2.445 1.00 0.00 H new ATOM 117 N LYS A 11 0.466 5.335 6.336 1.00 0.00 N ATOM 118 CA LYS A 11 0.808 4.622 7.561 1.00 0.00 C ATOM 119 C LYS A 11 -0.096 3.409 7.755 1.00 0.00 C ATOM 120 O LYS A 11 -1.303 3.547 7.953 1.00 0.00 O ATOM 121 CB LYS A 11 0.692 5.556 8.768 1.00 0.00 C ATOM 122 CG LYS A 11 1.642 6.740 8.714 1.00 0.00 C ATOM 123 CD LYS A 11 1.101 7.848 7.826 1.00 0.00 C ATOM 124 CE LYS A 11 1.935 9.115 7.945 1.00 0.00 C ATOM 125 NZ LYS A 11 1.291 10.269 7.260 1.00 0.00 N ATOM 0 H LYS A 11 -0.253 6.049 6.451 1.00 0.00 H new ATOM 0 HA LYS A 11 1.838 4.275 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.332 5.925 8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.885 4.987 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.803 7.125 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.612 6.413 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.092 7.513 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.068 8.064 8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.083 9.354 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.922 8.942 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.890 11.113 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.172 10.051 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.360 10.451 7.687 1.00 0.00 H new ATOM 139 N VAL A 12 0.497 2.220 7.699 1.00 0.00 N ATOM 140 CA VAL A 12 -0.255 0.982 7.871 1.00 0.00 C ATOM 141 C VAL A 12 0.403 0.080 8.909 1.00 0.00 C ATOM 142 O VAL A 12 1.625 0.077 9.058 1.00 0.00 O ATOM 143 CB VAL A 12 -0.380 0.212 6.543 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.084 1.063 5.497 1.00 0.00 C ATOM 145 CG2 VAL A 12 0.991 -0.227 6.051 1.00 0.00 C ATOM 0 H VAL A 12 1.495 2.088 7.536 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.251 1.261 8.215 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.982 -0.680 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.163 0.503 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.082 1.322 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.512 1.975 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.884 -0.770 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.619 0.650 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.454 -0.876 6.794 1.00 0.00 H new ATOM 155 N TRP A 13 -0.415 -0.684 9.624 1.00 0.00 N ATOM 156 CA TRP A 13 0.088 -1.592 10.648 1.00 0.00 C ATOM 157 C TRP A 13 0.348 -2.977 10.067 1.00 0.00 C ATOM 158 O TRP A 13 -0.584 -3.738 9.806 1.00 0.00 O ATOM 159 CB TRP A 13 -0.908 -1.690 11.805 1.00 0.00 C ATOM 160 CG TRP A 13 -0.980 -0.443 12.634 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.894 0.565 12.519 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.102 -0.073 13.702 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.637 1.541 13.452 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.543 1.173 14.191 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.012 -0.672 14.295 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.093 1.827 15.243 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.642 -0.021 15.339 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.181 1.217 15.804 1.00 0.00 C ATOM 0 H TRP A 13 -1.429 -0.693 9.514 1.00 0.00 H new ATOM 0 HA TRP A 13 1.031 -1.192 11.022 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.898 -1.910 11.405 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.630 -2.527 12.445 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.700 0.591 11.801 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.173 2.400 13.575 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.375 -1.627 13.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.260 2.782 15.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.505 -0.475 15.804 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.695 1.700 16.622 1.00 0.00 H new ATOM 179 N VAL A 14 1.622 -3.300 9.867 1.00 0.00 N ATOM 180 CA VAL A 14 2.005 -4.596 9.318 1.00 0.00 C ATOM 181 C VAL A 14 2.873 -5.374 10.301 1.00 0.00 C ATOM 182 O VAL A 14 3.996 -4.972 10.607 1.00 0.00 O ATOM 183 CB VAL A 14 2.768 -4.438 7.990 1.00 0.00 C ATOM 184 CG1 VAL A 14 3.262 -5.789 7.494 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.888 -3.768 6.946 1.00 0.00 C ATOM 0 H VAL A 14 2.406 -2.682 10.077 1.00 0.00 H new ATOM 0 HA VAL A 14 1.083 -5.149 9.136 1.00 0.00 H new ATOM 0 HB VAL A 14 3.636 -3.801 8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.799 -5.658 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.930 -6.227 8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.411 -6.452 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.444 -3.665 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.000 -4.377 6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.588 -2.782 7.301 1.00 0.00 H new ATOM 195 N ASP A 15 2.346 -6.490 10.791 1.00 0.00 N ATOM 196 CA ASP A 15 3.072 -7.327 11.739 1.00 0.00 C ATOM 197 C ASP A 15 3.466 -6.529 12.978 1.00 0.00 C ATOM 198 O ASP A 15 4.533 -6.742 13.553 1.00 0.00 O ATOM 199 CB ASP A 15 4.320 -7.917 11.079 1.00 0.00 C ATOM 200 CG ASP A 15 4.770 -9.205 11.739 1.00 0.00 C ATOM 201 OD1 ASP A 15 4.823 -9.246 12.987 1.00 0.00 O ATOM 202 OD2 ASP A 15 5.070 -10.173 11.009 1.00 0.00 O ATOM 0 H ASP A 15 1.418 -6.836 10.547 1.00 0.00 H new ATOM 0 HA ASP A 15 2.414 -8.140 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.116 -8.104 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.129 -7.188 11.122 1.00 0.00 H new ATOM 207 N GLY A 16 2.597 -5.608 13.384 1.00 0.00 N ATOM 208 CA GLY A 16 2.873 -4.792 14.551 1.00 0.00 C ATOM 209 C GLY A 16 3.946 -3.753 14.291 1.00 0.00 C ATOM 210 O GLY A 16 4.636 -3.318 15.214 1.00 0.00 O ATOM 0 H GLY A 16 1.707 -5.413 12.925 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.957 -4.293 14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.185 -5.434 15.374 1.00 0.00 H new ATOM 214 N VAL A 17 4.088 -3.353 13.032 1.00 0.00 N ATOM 215 CA VAL A 17 5.085 -2.359 12.653 1.00 0.00 C ATOM 216 C VAL A 17 4.537 -1.405 11.597 1.00 0.00 C ATOM 217 O VAL A 17 4.009 -1.836 10.572 1.00 0.00 O ATOM 218 CB VAL A 17 6.365 -3.025 12.112 1.00 0.00 C ATOM 219 CG1 VAL A 17 7.370 -1.971 11.672 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.970 -3.945 13.162 1.00 0.00 C ATOM 0 H VAL A 17 3.525 -3.702 12.256 1.00 0.00 H new ATOM 0 HA VAL A 17 5.330 -1.797 13.554 1.00 0.00 H new ATOM 0 HB VAL A 17 6.102 -3.627 11.242 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.267 -2.460 11.293 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.932 -1.356 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.632 -1.341 12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.873 -4.407 12.764 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.220 -3.367 14.052 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.251 -4.721 13.424 1.00 0.00 H new ATOM 230 N GLN A 18 4.666 -0.108 11.855 1.00 0.00 N ATOM 231 CA GLN A 18 4.183 0.907 10.926 1.00 0.00 C ATOM 232 C GLN A 18 5.035 0.937 9.661 1.00 0.00 C ATOM 233 O GLN A 18 6.184 1.377 9.685 1.00 0.00 O ATOM 234 CB GLN A 18 4.191 2.284 11.593 1.00 0.00 C ATOM 235 CG GLN A 18 3.409 3.336 10.824 1.00 0.00 C ATOM 236 CD GLN A 18 3.294 4.645 11.580 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.220 5.457 11.583 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.153 4.858 12.225 1.00 0.00 N ATOM 0 H GLN A 18 5.101 0.265 12.699 1.00 0.00 H new ATOM 0 HA GLN A 18 3.161 0.652 10.648 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.775 2.195 12.596 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.222 2.619 11.704 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.895 3.516 9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.410 2.956 10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.412 4.158 12.195 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.017 5.722 12.750 1.00 0.00 H new ATOM 247 N ARG A 19 4.463 0.465 8.558 1.00 0.00 N ATOM 248 CA ARG A 19 5.171 0.436 7.284 1.00 0.00 C ATOM 249 C ARG A 19 4.712 1.577 6.381 1.00 0.00 C ATOM 250 O ARG A 19 3.584 1.576 5.887 1.00 0.00 O ATOM 251 CB ARG A 19 4.946 -0.905 6.582 1.00 0.00 C ATOM 252 CG ARG A 19 5.929 -1.985 7.003 1.00 0.00 C ATOM 253 CD ARG A 19 7.315 -1.731 6.432 1.00 0.00 C ATOM 254 NE ARG A 19 7.407 -2.118 5.026 1.00 0.00 N ATOM 255 CZ ARG A 19 8.470 -1.879 4.266 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.526 -1.259 4.774 1.00 0.00 N ATOM 257 NH2 ARG A 19 8.478 -2.261 2.996 1.00 0.00 N ATOM 0 H ARG A 19 3.512 0.098 8.521 1.00 0.00 H new ATOM 0 HA ARG A 19 6.235 0.560 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.932 -1.248 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.020 -0.758 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.984 -2.024 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.569 -2.957 6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.561 -0.674 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.053 -2.287 7.010 1.00 0.00 H new ATOM 0 HE ARG A 19 6.611 -2.598 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.524 -0.964 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.341 -1.077 4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.667 -2.739 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.295 -2.077 2.413 1.00 0.00 H new ATOM 271 N ILE A 20 5.593 2.550 6.172 1.00 0.00 N ATOM 272 CA ILE A 20 5.279 3.697 5.329 1.00 0.00 C ATOM 273 C ILE A 20 5.744 3.469 3.895 1.00 0.00 C ATOM 274 O ILE A 20 6.833 2.947 3.660 1.00 0.00 O ATOM 275 CB ILE A 20 5.926 4.986 5.868 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.451 5.263 7.296 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.603 6.161 4.959 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.125 6.456 7.936 1.00 0.00 C ATOM 0 H ILE A 20 6.530 2.567 6.575 1.00 0.00 H new ATOM 0 HA ILE A 20 4.195 3.811 5.343 1.00 0.00 H new ATOM 0 HB ILE A 20 7.008 4.852 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.373 5.427 7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.634 4.380 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.067 7.065 5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.987 5.963 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.523 6.299 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.740 6.593 8.946 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.201 6.287 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.921 7.349 7.346 1.00 0.00 H new ATOM 290 N VAL A 21 4.910 3.866 2.939 1.00 0.00 N ATOM 291 CA VAL A 21 5.236 3.708 1.526 1.00 0.00 C ATOM 292 C VAL A 21 5.197 5.047 0.800 1.00 0.00 C ATOM 293 O VAL A 21 4.134 5.652 0.649 1.00 0.00 O ATOM 294 CB VAL A 21 4.268 2.731 0.832 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.597 2.614 -0.648 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.314 1.368 1.506 1.00 0.00 C ATOM 0 H VAL A 21 4.004 4.299 3.117 1.00 0.00 H new ATOM 0 HA VAL A 21 6.246 3.302 1.478 1.00 0.00 H new ATOM 0 HB VAL A 21 3.255 3.123 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.903 1.920 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.509 3.593 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.616 2.245 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.624 0.690 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.326 0.967 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.025 1.469 2.552 1.00 0.00 H new ATOM 306 N CYS A 22 6.360 5.506 0.352 1.00 0.00 N ATOM 307 CA CYS A 22 6.459 6.775 -0.360 1.00 0.00 C ATOM 308 C CYS A 22 6.329 6.567 -1.865 1.00 0.00 C ATOM 309 O CYS A 22 6.610 5.485 -2.379 1.00 0.00 O ATOM 310 CB CYS A 22 7.788 7.460 -0.040 1.00 0.00 C ATOM 311 SG CYS A 22 9.244 6.535 -0.582 1.00 0.00 S ATOM 0 H CYS A 22 7.248 5.018 0.469 1.00 0.00 H new ATOM 0 HA CYS A 22 5.640 7.414 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.800 8.444 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.852 7.620 1.036 1.00 0.00 H new ATOM 0 HG CYS A 22 10.319 7.196 -0.269 1.00 0.00 H new ATOM 317 N GLY A 23 5.899 7.611 -2.567 1.00 0.00 N ATOM 318 CA GLY A 23 5.737 7.521 -4.007 1.00 0.00 C ATOM 319 C GLY A 23 4.299 7.272 -4.414 1.00 0.00 C ATOM 320 O GLY A 23 3.905 7.567 -5.543 1.00 0.00 O ATOM 0 H GLY A 23 5.660 8.517 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.087 8.445 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.364 6.716 -4.391 1.00 0.00 H new ATOM 324 N VAL A 24 3.511 6.726 -3.493 1.00 0.00 N ATOM 325 CA VAL A 24 2.107 6.436 -3.763 1.00 0.00 C ATOM 326 C VAL A 24 1.319 7.718 -4.010 1.00 0.00 C ATOM 327 O VAL A 24 1.289 8.614 -3.167 1.00 0.00 O ATOM 328 CB VAL A 24 1.459 5.666 -2.597 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.514 6.487 -1.318 1.00 0.00 C ATOM 330 CG2 VAL A 24 0.025 5.290 -2.939 1.00 0.00 C ATOM 0 H VAL A 24 3.820 6.476 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 24 2.078 5.816 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 24 2.022 4.747 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.051 5.926 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.553 6.700 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.977 7.424 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.418 4.747 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.553 6.194 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.016 4.659 -3.828 1.00 0.00 H new ATOM 340 N THR A 25 0.682 7.799 -5.174 1.00 0.00 N ATOM 341 CA THR A 25 -0.106 8.971 -5.534 1.00 0.00 C ATOM 342 C THR A 25 -1.559 8.595 -5.803 1.00 0.00 C ATOM 343 O THR A 25 -1.904 7.415 -5.858 1.00 0.00 O ATOM 344 CB THR A 25 0.469 9.674 -6.778 1.00 0.00 C ATOM 345 OG1 THR A 25 0.844 8.702 -7.760 1.00 0.00 O ATOM 346 CG2 THR A 25 1.676 10.523 -6.410 1.00 0.00 C ATOM 0 H THR A 25 0.697 7.066 -5.884 1.00 0.00 H new ATOM 0 HA THR A 25 -0.061 9.655 -4.686 1.00 0.00 H new ATOM 0 HB THR A 25 -0.302 10.326 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.207 9.157 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.065 11.010 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.380 11.281 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.449 9.888 -5.977 1.00 0.00 H new ATOM 354 N GLU A 26 -2.406 9.606 -5.970 1.00 0.00 N ATOM 355 CA GLU A 26 -3.822 9.380 -6.233 1.00 0.00 C ATOM 356 C GLU A 26 -4.014 8.253 -7.244 1.00 0.00 C ATOM 357 O GLU A 26 -4.854 7.373 -7.057 1.00 0.00 O ATOM 358 CB GLU A 26 -4.479 10.662 -6.751 1.00 0.00 C ATOM 359 CG GLU A 26 -4.646 11.733 -5.685 1.00 0.00 C ATOM 360 CD GLU A 26 -5.396 12.949 -6.193 1.00 0.00 C ATOM 361 OE1 GLU A 26 -6.619 12.839 -6.417 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.760 14.009 -6.367 1.00 0.00 O ATOM 0 H GLU A 26 -2.136 10.589 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.297 9.090 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.879 11.064 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.457 10.417 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.179 11.312 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.663 12.040 -5.327 1.00 0.00 H new ATOM 369 N VAL A 27 -3.230 8.289 -8.317 1.00 0.00 N ATOM 370 CA VAL A 27 -3.313 7.271 -9.358 1.00 0.00 C ATOM 371 C VAL A 27 -3.204 5.870 -8.767 1.00 0.00 C ATOM 372 O VAL A 27 -4.072 5.023 -8.984 1.00 0.00 O ATOM 373 CB VAL A 27 -2.208 7.458 -10.415 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.292 6.370 -11.474 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.303 8.838 -11.047 1.00 0.00 C ATOM 0 H VAL A 27 -2.531 9.012 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.286 7.386 -9.836 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.240 7.376 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.504 6.519 -12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.169 5.394 -11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.263 6.416 -11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.515 8.952 -11.791 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.275 8.952 -11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.188 9.600 -10.276 1.00 0.00 H new ATOM 385 N THR A 28 -2.132 5.631 -8.019 1.00 0.00 N ATOM 386 CA THR A 28 -1.909 4.332 -7.396 1.00 0.00 C ATOM 387 C THR A 28 -3.158 3.850 -6.668 1.00 0.00 C ATOM 388 O THR A 28 -3.587 4.451 -5.682 1.00 0.00 O ATOM 389 CB THR A 28 -0.735 4.381 -6.401 1.00 0.00 C ATOM 390 OG1 THR A 28 0.444 4.860 -7.057 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.469 3.004 -5.810 1.00 0.00 C ATOM 0 H THR A 28 -1.404 6.320 -7.830 1.00 0.00 H new ATOM 0 HA THR A 28 -1.667 3.634 -8.198 1.00 0.00 H new ATOM 0 HB THR A 28 -1.001 5.061 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.185 4.890 -6.417 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.364 3.063 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.359 2.655 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.222 2.306 -6.610 1.00 0.00 H new ATOM 399 N THR A 29 -3.739 2.759 -7.158 1.00 0.00 N ATOM 400 CA THR A 29 -4.940 2.195 -6.553 1.00 0.00 C ATOM 401 C THR A 29 -4.589 1.257 -5.405 1.00 0.00 C ATOM 402 O THR A 29 -3.497 0.688 -5.367 1.00 0.00 O ATOM 403 CB THR A 29 -5.783 1.427 -7.589 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.033 0.324 -8.110 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.206 2.343 -8.728 1.00 0.00 C ATOM 0 H THR A 29 -3.397 2.248 -7.972 1.00 0.00 H new ATOM 0 HA THR A 29 -5.523 3.032 -6.169 1.00 0.00 H new ATOM 0 HB THR A 29 -6.679 1.054 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.576 -0.160 -8.766 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.800 1.779 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.801 3.166 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.320 2.742 -9.222 1.00 0.00 H new ATOM 413 N CYS A 30 -5.520 1.099 -4.471 1.00 0.00 N ATOM 414 CA CYS A 30 -5.308 0.228 -3.319 1.00 0.00 C ATOM 415 C CYS A 30 -4.540 -1.027 -3.721 1.00 0.00 C ATOM 416 O CYS A 30 -3.470 -1.310 -3.183 1.00 0.00 O ATOM 417 CB CYS A 30 -6.648 -0.158 -2.692 1.00 0.00 C ATOM 418 SG CYS A 30 -7.283 1.050 -1.506 1.00 0.00 S ATOM 0 H CYS A 30 -6.429 1.562 -4.488 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.716 0.775 -2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.383 -0.293 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.539 -1.120 -2.191 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.421 0.636 -1.032 1.00 0.00 H new ATOM 424 N GLN A 31 -5.095 -1.776 -4.668 1.00 0.00 N ATOM 425 CA GLN A 31 -4.463 -3.002 -5.140 1.00 0.00 C ATOM 426 C GLN A 31 -2.963 -2.803 -5.331 1.00 0.00 C ATOM 427 O GLN A 31 -2.154 -3.553 -4.786 1.00 0.00 O ATOM 428 CB GLN A 31 -5.101 -3.458 -6.453 1.00 0.00 C ATOM 429 CG GLN A 31 -4.586 -4.800 -6.947 1.00 0.00 C ATOM 430 CD GLN A 31 -5.228 -5.228 -8.251 1.00 0.00 C ATOM 431 OE1 GLN A 31 -5.479 -4.405 -9.132 1.00 0.00 O ATOM 432 NE2 GLN A 31 -5.498 -6.521 -8.383 1.00 0.00 N ATOM 0 H GLN A 31 -5.981 -1.555 -5.123 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.615 -3.773 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.181 -3.520 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.916 -2.704 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.506 -4.743 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.774 -5.559 -6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.273 -7.169 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.930 -6.867 -9.240 1.00 0.00 H new ATOM 441 N GLU A 32 -2.600 -1.788 -6.109 1.00 0.00 N ATOM 442 CA GLU A 32 -1.197 -1.492 -6.373 1.00 0.00 C ATOM 443 C GLU A 32 -0.419 -1.340 -5.069 1.00 0.00 C ATOM 444 O GLU A 32 0.725 -1.783 -4.960 1.00 0.00 O ATOM 445 CB GLU A 32 -1.071 -0.215 -7.207 1.00 0.00 C ATOM 446 CG GLU A 32 -1.561 -0.370 -8.636 1.00 0.00 C ATOM 447 CD GLU A 32 -0.848 0.556 -9.602 1.00 0.00 C ATOM 448 OE1 GLU A 32 -0.457 1.665 -9.182 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.681 0.171 -10.778 1.00 0.00 O ATOM 0 H GLU A 32 -3.258 -1.157 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.775 -2.326 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.635 0.582 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.027 0.097 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.417 -1.402 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.632 -0.171 -8.672 1.00 0.00 H new ATOM 456 N VAL A 33 -1.047 -0.710 -4.081 1.00 0.00 N ATOM 457 CA VAL A 33 -0.415 -0.500 -2.784 1.00 0.00 C ATOM 458 C VAL A 33 -0.394 -1.787 -1.968 1.00 0.00 C ATOM 459 O VAL A 33 0.668 -2.349 -1.702 1.00 0.00 O ATOM 460 CB VAL A 33 -1.139 0.595 -1.978 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.509 0.750 -0.602 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.117 1.915 -2.735 1.00 0.00 C ATOM 0 H VAL A 33 -1.993 -0.336 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 33 0.609 -0.180 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.179 0.296 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.034 1.528 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.581 -0.193 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.540 1.027 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.633 2.678 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.084 2.222 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.618 1.792 -3.695 1.00 0.00 H new ATOM 472 N VAL A 34 -1.576 -2.249 -1.573 1.00 0.00 N ATOM 473 CA VAL A 34 -1.695 -3.472 -0.788 1.00 0.00 C ATOM 474 C VAL A 34 -0.777 -4.563 -1.327 1.00 0.00 C ATOM 475 O VAL A 34 -0.176 -5.317 -0.561 1.00 0.00 O ATOM 476 CB VAL A 34 -3.144 -3.994 -0.777 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.645 -4.206 -2.198 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.241 -5.281 0.028 1.00 0.00 C ATOM 0 H VAL A 34 -2.465 -1.795 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.399 -3.223 0.231 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.778 -3.246 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.670 -4.575 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.614 -3.261 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.010 -4.935 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.272 -5.635 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.596 -6.038 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.925 -5.093 1.054 1.00 0.00 H new ATOM 488 N ILE A 35 -0.673 -4.641 -2.649 1.00 0.00 N ATOM 489 CA ILE A 35 0.174 -5.639 -3.291 1.00 0.00 C ATOM 490 C ILE A 35 1.651 -5.321 -3.085 1.00 0.00 C ATOM 491 O ILE A 35 2.478 -6.223 -2.959 1.00 0.00 O ATOM 492 CB ILE A 35 -0.114 -5.734 -4.801 1.00 0.00 C ATOM 493 CG1 ILE A 35 -1.457 -6.424 -5.045 1.00 0.00 C ATOM 494 CG2 ILE A 35 1.008 -6.480 -5.508 1.00 0.00 C ATOM 495 CD1 ILE A 35 -1.692 -6.796 -6.492 1.00 0.00 C ATOM 0 H ILE A 35 -1.165 -4.025 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.057 -6.597 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.167 -4.725 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.510 -7.325 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.260 -5.766 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.790 -6.539 -6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.948 -5.949 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.090 -7.487 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.663 -7.281 -6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.672 -5.896 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.910 -7.479 -6.824 1.00 0.00 H new ATOM 507 N ALA A 36 1.974 -4.033 -3.050 1.00 0.00 N ATOM 508 CA ALA A 36 3.351 -3.596 -2.855 1.00 0.00 C ATOM 509 C ALA A 36 3.894 -4.074 -1.513 1.00 0.00 C ATOM 510 O ALA A 36 5.083 -4.367 -1.381 1.00 0.00 O ATOM 511 CB ALA A 36 3.442 -2.080 -2.954 1.00 0.00 C ATOM 0 H ALA A 36 1.301 -3.274 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 36 3.962 -4.038 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.476 -1.767 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.103 -1.759 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.813 -1.627 -2.188 1.00 0.00 H new ATOM 517 N LEU A 37 3.016 -4.150 -0.518 1.00 0.00 N ATOM 518 CA LEU A 37 3.408 -4.592 0.816 1.00 0.00 C ATOM 519 C LEU A 37 3.675 -6.094 0.835 1.00 0.00 C ATOM 520 O LEU A 37 4.756 -6.537 1.222 1.00 0.00 O ATOM 521 CB LEU A 37 2.318 -4.244 1.831 1.00 0.00 C ATOM 522 CG LEU A 37 2.255 -2.781 2.272 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.427 -2.448 3.182 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.238 -1.859 1.062 1.00 0.00 C ATOM 0 H LEU A 37 2.029 -3.911 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 37 4.328 -4.074 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.352 -4.516 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.462 -4.864 2.716 1.00 0.00 H new ATOM 0 HG LEU A 37 1.332 -2.629 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.366 -1.403 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.394 -3.086 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.362 -2.616 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.193 -0.822 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.143 -2.012 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.365 -2.081 0.448 1.00 0.00 H new ATOM 536 N ALA A 38 2.684 -6.872 0.412 1.00 0.00 N ATOM 537 CA ALA A 38 2.813 -8.323 0.377 1.00 0.00 C ATOM 538 C ALA A 38 4.113 -8.742 -0.303 1.00 0.00 C ATOM 539 O ALA A 38 4.787 -9.669 0.145 1.00 0.00 O ATOM 540 CB ALA A 38 1.620 -8.942 -0.335 1.00 0.00 C ATOM 0 H ALA A 38 1.783 -6.521 0.089 1.00 0.00 H new ATOM 0 HA ALA A 38 2.837 -8.686 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.730 -10.026 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.704 -8.679 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.570 -8.565 -1.356 1.00 0.00 H new ATOM 546 N GLN A 39 4.457 -8.053 -1.387 1.00 0.00 N ATOM 547 CA GLN A 39 5.675 -8.356 -2.129 1.00 0.00 C ATOM 548 C GLN A 39 6.913 -8.016 -1.305 1.00 0.00 C ATOM 549 O GLN A 39 7.865 -8.794 -1.247 1.00 0.00 O ATOM 550 CB GLN A 39 5.699 -7.583 -3.448 1.00 0.00 C ATOM 551 CG GLN A 39 4.947 -8.277 -4.573 1.00 0.00 C ATOM 552 CD GLN A 39 5.781 -9.336 -5.266 1.00 0.00 C ATOM 553 OE1 GLN A 39 5.378 -10.496 -5.362 1.00 0.00 O ATOM 554 NE2 GLN A 39 6.952 -8.943 -5.754 1.00 0.00 N ATOM 0 H GLN A 39 3.910 -7.282 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 39 5.684 -9.425 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.267 -6.595 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.735 -7.433 -3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.044 -8.736 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.629 -7.534 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.247 -7.972 -5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.556 -9.612 -6.231 1.00 0.00 H new ATOM 563 N ALA A 40 6.892 -6.850 -0.668 1.00 0.00 N ATOM 564 CA ALA A 40 8.012 -6.408 0.154 1.00 0.00 C ATOM 565 C ALA A 40 8.294 -7.401 1.276 1.00 0.00 C ATOM 566 O ALA A 40 9.428 -7.848 1.451 1.00 0.00 O ATOM 567 CB ALA A 40 7.733 -5.027 0.727 1.00 0.00 C ATOM 0 H ALA A 40 6.112 -6.194 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 40 8.897 -6.354 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.577 -4.709 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.588 -4.318 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.833 -5.063 1.341 1.00 0.00 H new ATOM 573 N ILE A 41 7.257 -7.742 2.034 1.00 0.00 N ATOM 574 CA ILE A 41 7.394 -8.683 3.139 1.00 0.00 C ATOM 575 C ILE A 41 7.812 -10.061 2.638 1.00 0.00 C ATOM 576 O ILE A 41 8.481 -10.814 3.345 1.00 0.00 O ATOM 577 CB ILE A 41 6.082 -8.813 3.933 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.952 -9.291 3.019 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.720 -7.485 4.581 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.748 -9.815 3.770 1.00 0.00 C ATOM 0 H ILE A 41 6.312 -7.380 1.903 1.00 0.00 H new ATOM 0 HA ILE A 41 8.169 -8.288 3.796 1.00 0.00 H new ATOM 0 HB ILE A 41 6.224 -9.552 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.640 -8.466 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.332 -10.076 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.790 -7.594 5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.517 -7.182 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.593 -6.726 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.987 -10.136 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.046 -10.661 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.343 -9.026 4.404 1.00 0.00 H new ATOM 592 N GLY A 42 7.414 -10.385 1.411 1.00 0.00 N ATOM 593 CA GLY A 42 7.758 -11.672 0.836 1.00 0.00 C ATOM 594 C GLY A 42 6.536 -12.465 0.416 1.00 0.00 C ATOM 595 O GLY A 42 6.334 -12.726 -0.770 1.00 0.00 O ATOM 0 H GLY A 42 6.860 -9.779 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.403 -11.519 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.330 -12.250 1.562 1.00 0.00 H new ATOM 599 N ARG A 43 5.719 -12.849 1.391 1.00 0.00 N ATOM 600 CA ARG A 43 4.512 -13.619 1.117 1.00 0.00 C ATOM 601 C ARG A 43 3.807 -13.099 -0.132 1.00 0.00 C ATOM 602 O ARG A 43 3.561 -11.899 -0.266 1.00 0.00 O ATOM 603 CB ARG A 43 3.561 -13.561 2.314 1.00 0.00 C ATOM 604 CG ARG A 43 4.105 -14.243 3.558 1.00 0.00 C ATOM 605 CD ARG A 43 3.284 -13.893 4.789 1.00 0.00 C ATOM 606 NE ARG A 43 1.975 -14.540 4.776 1.00 0.00 N ATOM 607 CZ ARG A 43 1.798 -15.846 4.941 1.00 0.00 C ATOM 608 NH1 ARG A 43 2.842 -16.641 5.131 1.00 0.00 N ATOM 609 NH2 ARG A 43 0.575 -16.359 4.916 1.00 0.00 N ATOM 0 H ARG A 43 5.871 -12.640 2.378 1.00 0.00 H new ATOM 0 HA ARG A 43 4.804 -14.655 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.346 -12.518 2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.615 -14.027 2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.102 -15.323 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.142 -13.945 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.828 -14.193 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.154 -12.812 4.842 1.00 0.00 H new ATOM 0 HE ARG A 43 1.151 -13.957 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.784 -16.250 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.703 -17.644 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.230 -15.750 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.440 -17.362 5.043 1.00 0.00 H new ATOM 623 N THR A 44 3.484 -14.009 -1.046 1.00 0.00 N ATOM 624 CA THR A 44 2.809 -13.642 -2.285 1.00 0.00 C ATOM 625 C THR A 44 1.368 -14.139 -2.294 1.00 0.00 C ATOM 626 O THR A 44 1.044 -15.145 -1.664 1.00 0.00 O ATOM 627 CB THR A 44 3.544 -14.210 -3.514 1.00 0.00 C ATOM 628 OG1 THR A 44 3.771 -15.613 -3.344 1.00 0.00 O ATOM 629 CG2 THR A 44 4.871 -13.498 -3.728 1.00 0.00 C ATOM 0 H THR A 44 3.679 -15.006 -0.951 1.00 0.00 H new ATOM 0 HA THR A 44 2.815 -12.553 -2.338 1.00 0.00 H new ATOM 0 HB THR A 44 2.918 -14.048 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.237 -15.967 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.372 -13.916 -4.601 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.692 -12.435 -3.887 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.502 -13.632 -2.849 1.00 0.00 H new ATOM 637 N GLY A 45 0.505 -13.427 -3.013 1.00 0.00 N ATOM 638 CA GLY A 45 -0.891 -13.812 -3.091 1.00 0.00 C ATOM 639 C GLY A 45 -1.815 -12.619 -3.231 1.00 0.00 C ATOM 640 O GLY A 45 -1.629 -11.781 -4.113 1.00 0.00 O ATOM 0 H GLY A 45 0.749 -12.590 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.034 -14.480 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.160 -14.373 -2.196 1.00 0.00 H new ATOM 644 N ARG A 46 -2.816 -12.542 -2.359 1.00 0.00 N ATOM 645 CA ARG A 46 -3.774 -11.443 -2.391 1.00 0.00 C ATOM 646 C ARG A 46 -3.950 -10.835 -1.003 1.00 0.00 C ATOM 647 O ARG A 46 -3.909 -11.540 0.005 1.00 0.00 O ATOM 648 CB ARG A 46 -5.124 -11.931 -2.921 1.00 0.00 C ATOM 649 CG ARG A 46 -5.056 -12.500 -4.329 1.00 0.00 C ATOM 650 CD ARG A 46 -4.645 -13.964 -4.319 1.00 0.00 C ATOM 651 NE ARG A 46 -5.792 -14.853 -4.155 1.00 0.00 N ATOM 652 CZ ARG A 46 -6.665 -15.112 -5.122 1.00 0.00 C ATOM 653 NH1 ARG A 46 -6.523 -14.553 -6.315 1.00 0.00 N ATOM 654 NH2 ARG A 46 -7.684 -15.932 -4.896 1.00 0.00 N ATOM 0 H ARG A 46 -2.984 -13.227 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.385 -10.674 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.514 -12.695 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.831 -11.102 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.028 -12.397 -4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.344 -11.925 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.131 -14.203 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.935 -14.136 -3.510 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.930 -15.299 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.742 -13.922 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.195 -14.754 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.797 -16.364 -3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.354 -16.130 -5.639 1.00 0.00 H new ATOM 668 N TYR A 47 -4.145 -9.521 -0.959 1.00 0.00 N ATOM 669 CA TYR A 47 -4.324 -8.817 0.305 1.00 0.00 C ATOM 670 C TYR A 47 -5.418 -7.759 0.189 1.00 0.00 C ATOM 671 O TYR A 47 -5.903 -7.467 -0.905 1.00 0.00 O ATOM 672 CB TYR A 47 -3.011 -8.164 0.739 1.00 0.00 C ATOM 673 CG TYR A 47 -2.056 -9.118 1.419 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.461 -10.157 0.714 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.748 -8.980 2.767 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.589 -11.032 1.332 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.875 -9.849 3.393 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.298 -10.874 2.671 1.00 0.00 C ATOM 679 OH TYR A 47 0.571 -11.742 3.290 1.00 0.00 O ATOM 0 H TYR A 47 -4.183 -8.923 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.626 -9.545 1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.522 -7.735 -0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.232 -7.339 1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.684 -10.283 -0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.199 -8.180 3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.137 -11.836 0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.645 -9.727 4.441 1.00 0.00 H new ATOM 0 HH TYR A 47 0.668 -11.491 4.232 1.00 0.00 H new ATOM 689 N THR A 48 -5.802 -7.187 1.326 1.00 0.00 N ATOM 690 CA THR A 48 -6.838 -6.163 1.355 1.00 0.00 C ATOM 691 C THR A 48 -6.545 -5.114 2.421 1.00 0.00 C ATOM 692 O THR A 48 -5.951 -5.416 3.457 1.00 0.00 O ATOM 693 CB THR A 48 -8.226 -6.775 1.620 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.247 -5.805 1.358 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.338 -7.260 3.057 1.00 0.00 C ATOM 0 H THR A 48 -5.410 -7.416 2.239 1.00 0.00 H new ATOM 0 HA THR A 48 -6.840 -5.688 0.374 1.00 0.00 H new ATOM 0 HB THR A 48 -8.356 -7.628 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.127 -6.202 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.327 -7.688 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.578 -8.019 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.189 -6.421 3.737 1.00 0.00 H new ATOM 703 N LEU A 49 -6.964 -3.881 2.163 1.00 0.00 N ATOM 704 CA LEU A 49 -6.747 -2.786 3.102 1.00 0.00 C ATOM 705 C LEU A 49 -7.972 -2.578 3.988 1.00 0.00 C ATOM 706 O LEU A 49 -9.091 -2.439 3.494 1.00 0.00 O ATOM 707 CB LEU A 49 -6.426 -1.495 2.347 1.00 0.00 C ATOM 708 CG LEU A 49 -5.016 -1.393 1.764 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.999 -0.452 0.569 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.032 -0.925 2.827 1.00 0.00 C ATOM 0 H LEU A 49 -7.456 -3.614 1.311 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.901 -3.048 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.143 -1.385 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.580 -0.654 3.023 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.711 -2.383 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.987 -0.392 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.673 -0.829 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.324 0.540 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.034 -0.858 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.334 0.055 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.023 -1.636 3.653 1.00 0.00 H new ATOM 722 N ILE A 50 -7.751 -2.556 5.298 1.00 0.00 N ATOM 723 CA ILE A 50 -8.835 -2.361 6.252 1.00 0.00 C ATOM 724 C ILE A 50 -8.621 -1.097 7.077 1.00 0.00 C ATOM 725 O ILE A 50 -7.599 -0.946 7.745 1.00 0.00 O ATOM 726 CB ILE A 50 -8.971 -3.565 7.203 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.097 -4.863 6.404 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.172 -3.382 8.120 1.00 0.00 C ATOM 729 CD1 ILE A 50 -7.765 -5.503 6.077 1.00 0.00 C ATOM 0 H ILE A 50 -6.831 -2.671 5.723 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.752 -2.261 5.671 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.074 -3.626 7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.702 -5.571 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.630 -4.658 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.255 -4.241 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.044 -2.475 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.078 -3.299 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.931 -6.419 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.165 -4.812 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.238 -5.739 7.001 1.00 0.00 H new ATOM 741 N GLU A 51 -9.594 -0.192 7.027 1.00 0.00 N ATOM 742 CA GLU A 51 -9.512 1.059 7.771 1.00 0.00 C ATOM 743 C GLU A 51 -10.271 0.958 9.091 1.00 0.00 C ATOM 744 O GLU A 51 -11.493 0.806 9.108 1.00 0.00 O ATOM 745 CB GLU A 51 -10.070 2.213 6.936 1.00 0.00 C ATOM 746 CG GLU A 51 -9.037 2.867 6.034 1.00 0.00 C ATOM 747 CD GLU A 51 -8.773 2.067 4.774 1.00 0.00 C ATOM 748 OE1 GLU A 51 -8.585 0.837 4.881 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.753 2.670 3.680 1.00 0.00 O ATOM 0 H GLU A 51 -10.447 -0.302 6.479 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.462 1.253 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.892 1.843 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.485 2.967 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.379 3.865 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.104 2.989 6.585 1.00 0.00 H new ATOM 756 N LYS A 52 -9.539 1.044 10.196 1.00 0.00 N ATOM 757 CA LYS A 52 -10.141 0.963 11.522 1.00 0.00 C ATOM 758 C LYS A 52 -10.440 2.355 12.069 1.00 0.00 C ATOM 759 O LYS A 52 -9.572 3.228 12.079 1.00 0.00 O ATOM 760 CB LYS A 52 -9.213 0.214 12.481 1.00 0.00 C ATOM 761 CG LYS A 52 -9.925 -0.356 13.695 1.00 0.00 C ATOM 762 CD LYS A 52 -9.146 -1.508 14.309 1.00 0.00 C ATOM 763 CE LYS A 52 -9.637 -1.827 15.713 1.00 0.00 C ATOM 764 NZ LYS A 52 -8.939 -1.009 16.743 1.00 0.00 N ATOM 0 H LYS A 52 -8.527 1.170 10.200 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.080 0.417 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.726 -0.598 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.427 0.891 12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.063 0.429 14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.918 -0.700 13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.244 -2.392 13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.086 -1.256 14.342 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.710 -1.647 15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.479 -2.885 15.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.301 -1.256 17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.917 -1.200 16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.110 0.000 16.559 1.00 0.00 H new ATOM 778 N TRP A 53 -11.671 2.554 12.526 1.00 0.00 N ATOM 779 CA TRP A 53 -12.083 3.840 13.077 1.00 0.00 C ATOM 780 C TRP A 53 -13.240 3.668 14.055 1.00 0.00 C ATOM 781 O TRP A 53 -14.158 2.886 13.812 1.00 0.00 O ATOM 782 CB TRP A 53 -12.487 4.794 11.952 1.00 0.00 C ATOM 783 CG TRP A 53 -13.112 6.064 12.445 1.00 0.00 C ATOM 784 CD1 TRP A 53 -12.464 7.214 12.795 1.00 0.00 C ATOM 785 CD2 TRP A 53 -14.508 6.311 12.646 1.00 0.00 C ATOM 786 NE1 TRP A 53 -13.373 8.161 13.201 1.00 0.00 N ATOM 787 CE2 TRP A 53 -14.633 7.632 13.118 1.00 0.00 C ATOM 788 CE3 TRP A 53 -15.664 5.545 12.471 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -15.868 8.201 13.417 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -16.889 6.111 12.769 1.00 0.00 C ATOM 791 CH2 TRP A 53 -16.984 7.429 13.236 1.00 0.00 C ATOM 0 H TRP A 53 -12.401 1.842 12.526 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.236 4.264 13.617 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.606 5.038 11.358 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.188 4.286 11.289 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.394 7.358 12.758 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -13.146 9.105 13.514 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.601 4.529 12.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -15.943 9.216 13.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.789 5.528 12.640 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -17.956 7.844 13.457 1.00 0.00 H new ATOM 802 N ARG A 54 -13.188 4.403 15.161 1.00 0.00 N ATOM 803 CA ARG A 54 -14.232 4.330 16.175 1.00 0.00 C ATOM 804 C ARG A 54 -14.760 2.905 16.311 1.00 0.00 C ATOM 805 O ARG A 54 -15.967 2.687 16.417 1.00 0.00 O ATOM 806 CB ARG A 54 -15.380 5.280 15.826 1.00 0.00 C ATOM 807 CG ARG A 54 -16.104 5.834 17.042 1.00 0.00 C ATOM 808 CD ARG A 54 -17.551 6.174 16.722 1.00 0.00 C ATOM 809 NE ARG A 54 -18.281 5.023 16.198 1.00 0.00 N ATOM 810 CZ ARG A 54 -19.405 5.123 15.496 1.00 0.00 C ATOM 811 NH1 ARG A 54 -19.924 6.314 15.235 1.00 0.00 N ATOM 812 NH2 ARG A 54 -20.011 4.028 15.053 1.00 0.00 N ATOM 0 H ARG A 54 -12.434 5.055 15.377 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.798 4.631 17.129 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.988 6.110 15.238 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.097 4.754 15.196 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.071 5.104 17.850 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.589 6.727 17.398 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -18.046 6.537 17.623 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.580 6.984 15.993 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.908 4.091 16.381 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.461 7.157 15.573 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -20.787 6.387 14.696 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.614 3.110 15.251 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.874 4.105 14.514 1.00 0.00 H new ATOM 826 N ASP A 55 -13.848 1.939 16.306 1.00 0.00 N ATOM 827 CA ASP A 55 -14.221 0.535 16.429 1.00 0.00 C ATOM 828 C ASP A 55 -15.083 0.096 15.249 1.00 0.00 C ATOM 829 O ASP A 55 -16.096 -0.582 15.424 1.00 0.00 O ATOM 830 CB ASP A 55 -14.971 0.297 17.740 1.00 0.00 C ATOM 831 CG ASP A 55 -14.037 -0.011 18.894 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.113 -0.830 18.706 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.230 0.565 19.985 1.00 0.00 O ATOM 0 H ASP A 55 -12.845 2.103 16.218 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.307 -0.059 16.429 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.563 1.179 17.982 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.669 -0.530 17.611 1.00 0.00 H new ATOM 838 N THR A 56 -14.676 0.489 14.046 1.00 0.00 N ATOM 839 CA THR A 56 -15.411 0.139 12.838 1.00 0.00 C ATOM 840 C THR A 56 -14.465 -0.286 11.721 1.00 0.00 C ATOM 841 O THR A 56 -13.756 0.541 11.148 1.00 0.00 O ATOM 842 CB THR A 56 -16.273 1.317 12.344 1.00 0.00 C ATOM 843 OG1 THR A 56 -17.163 1.742 13.382 1.00 0.00 O ATOM 844 CG2 THR A 56 -17.074 0.922 11.112 1.00 0.00 C ATOM 0 H THR A 56 -13.840 1.051 13.883 1.00 0.00 H new ATOM 0 HA THR A 56 -16.062 -0.696 13.096 1.00 0.00 H new ATOM 0 HB THR A 56 -15.608 2.139 12.078 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.706 2.492 13.061 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.675 1.769 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.392 0.627 10.314 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.729 0.086 11.357 1.00 0.00 H new ATOM 852 N GLU A 57 -14.459 -1.580 11.418 1.00 0.00 N ATOM 853 CA GLU A 57 -13.598 -2.114 10.369 1.00 0.00 C ATOM 854 C GLU A 57 -14.367 -2.272 9.061 1.00 0.00 C ATOM 855 O GLU A 57 -15.497 -2.760 9.048 1.00 0.00 O ATOM 856 CB GLU A 57 -13.013 -3.463 10.795 1.00 0.00 C ATOM 857 CG GLU A 57 -11.990 -3.356 11.913 1.00 0.00 C ATOM 858 CD GLU A 57 -11.949 -4.595 12.787 1.00 0.00 C ATOM 859 OE1 GLU A 57 -13.001 -4.958 13.353 1.00 0.00 O ATOM 860 OE2 GLU A 57 -10.864 -5.203 12.903 1.00 0.00 O ATOM 0 H GLU A 57 -15.040 -2.277 11.883 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.784 -1.407 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.824 -4.116 11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.547 -3.937 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.003 -3.187 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.221 -2.488 12.530 1.00 0.00 H new ATOM 867 N ARG A 58 -13.747 -1.855 7.962 1.00 0.00 N ATOM 868 CA ARG A 58 -14.373 -1.947 6.649 1.00 0.00 C ATOM 869 C ARG A 58 -13.347 -2.320 5.582 1.00 0.00 C ATOM 870 O ARG A 58 -12.227 -1.809 5.578 1.00 0.00 O ATOM 871 CB ARG A 58 -15.044 -0.621 6.285 1.00 0.00 C ATOM 872 CG ARG A 58 -16.474 -0.505 6.785 1.00 0.00 C ATOM 873 CD ARG A 58 -16.908 0.948 6.901 1.00 0.00 C ATOM 874 NE ARG A 58 -16.636 1.699 5.678 1.00 0.00 N ATOM 875 CZ ARG A 58 -16.522 3.022 5.639 1.00 0.00 C ATOM 876 NH1 ARG A 58 -16.656 3.736 6.748 1.00 0.00 N ATOM 877 NH2 ARG A 58 -16.274 3.634 4.488 1.00 0.00 N ATOM 0 H ARG A 58 -12.811 -1.450 7.955 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.130 -2.730 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.456 0.199 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.036 -0.505 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.142 -1.032 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.561 -0.991 7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.974 0.991 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.388 1.416 7.737 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.528 1.180 4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.847 3.270 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.568 4.752 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.171 3.089 3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.187 4.650 4.459 1.00 0.00 H new ATOM 891 N HIS A 59 -13.738 -3.214 4.680 1.00 0.00 N ATOM 892 CA HIS A 59 -12.853 -3.656 3.608 1.00 0.00 C ATOM 893 C HIS A 59 -13.065 -2.821 2.349 1.00 0.00 C ATOM 894 O HIS A 59 -14.194 -2.659 1.882 1.00 0.00 O ATOM 895 CB HIS A 59 -13.089 -5.135 3.299 1.00 0.00 C ATOM 896 CG HIS A 59 -12.381 -6.063 4.236 1.00 0.00 C ATOM 897 ND1 HIS A 59 -11.882 -7.288 3.848 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.087 -5.939 5.552 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.313 -7.878 4.884 1.00 0.00 C ATOM 900 NE2 HIS A 59 -11.424 -7.080 5.931 1.00 0.00 N ATOM 0 H HIS A 59 -14.662 -3.647 4.670 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.824 -3.523 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.159 -5.339 3.338 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.762 -5.341 2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.329 -5.099 6.186 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.838 -8.848 4.876 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -11.074 -7.279 6.868 1.00 0.00 H new ATOM 909 N LEU A 60 -11.975 -2.292 1.805 1.00 0.00 N ATOM 910 CA LEU A 60 -12.042 -1.472 0.600 1.00 0.00 C ATOM 911 C LEU A 60 -11.836 -2.322 -0.649 1.00 0.00 C ATOM 912 O LEU A 60 -11.238 -3.396 -0.589 1.00 0.00 O ATOM 913 CB LEU A 60 -10.990 -0.363 0.655 1.00 0.00 C ATOM 914 CG LEU A 60 -11.310 0.821 1.568 1.00 0.00 C ATOM 915 CD1 LEU A 60 -10.776 0.573 2.970 1.00 0.00 C ATOM 916 CD2 LEU A 60 -10.732 2.107 0.995 1.00 0.00 C ATOM 0 H LEU A 60 -11.034 -2.416 2.179 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.034 -1.022 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.046 -0.801 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.836 0.015 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.393 0.928 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.013 1.426 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.237 -0.325 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.695 0.440 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.969 2.939 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.650 2.011 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.162 2.293 0.011 1.00 0.00 H new ATOM 928 N ALA A 61 -12.334 -1.834 -1.780 1.00 0.00 N ATOM 929 CA ALA A 61 -12.201 -2.547 -3.045 1.00 0.00 C ATOM 930 C ALA A 61 -10.888 -2.197 -3.736 1.00 0.00 C ATOM 931 O ALA A 61 -10.291 -1.148 -3.495 1.00 0.00 O ATOM 932 CB ALA A 61 -13.379 -2.232 -3.955 1.00 0.00 C ATOM 0 H ALA A 61 -12.834 -0.947 -1.846 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.196 -3.616 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.266 -2.771 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.306 -2.538 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.410 -1.160 -4.152 1.00 0.00 H new ATOM 938 N PRO A 62 -10.424 -3.097 -4.617 1.00 0.00 N ATOM 939 CA PRO A 62 -9.176 -2.905 -5.362 1.00 0.00 C ATOM 940 C PRO A 62 -9.286 -1.797 -6.403 1.00 0.00 C ATOM 941 O PRO A 62 -8.302 -1.438 -7.050 1.00 0.00 O ATOM 942 CB PRO A 62 -8.958 -4.259 -6.043 1.00 0.00 C ATOM 943 CG PRO A 62 -10.321 -4.848 -6.159 1.00 0.00 C ATOM 944 CD PRO A 62 -11.084 -4.369 -4.955 1.00 0.00 C ATOM 0 HA PRO A 62 -8.356 -2.602 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.494 -4.140 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.300 -4.897 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.807 -4.529 -7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.275 -5.937 -6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.141 -4.226 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.027 -5.082 -4.133 1.00 0.00 H new ATOM 952 N HIS A 63 -10.491 -1.256 -6.560 1.00 0.00 N ATOM 953 CA HIS A 63 -10.729 -0.187 -7.523 1.00 0.00 C ATOM 954 C HIS A 63 -10.774 1.170 -6.827 1.00 0.00 C ATOM 955 O HIS A 63 -10.997 2.198 -7.466 1.00 0.00 O ATOM 956 CB HIS A 63 -12.037 -0.431 -8.275 1.00 0.00 C ATOM 957 CG HIS A 63 -13.222 -0.603 -7.375 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.628 0.358 -6.473 1.00 0.00 N ATOM 959 CD2 HIS A 63 -14.092 -1.632 -7.243 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.695 -0.073 -5.824 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.997 -1.278 -6.273 1.00 0.00 N ATOM 0 H HIS A 63 -11.317 -1.541 -6.033 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.905 -0.183 -8.236 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.221 0.406 -8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.930 -1.321 -8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -14.077 -2.559 -7.797 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.229 0.468 -5.057 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.776 -1.852 -5.951 1.00 0.00 H new ATOM 970 N GLU A 64 -10.563 1.165 -5.515 1.00 0.00 N ATOM 971 CA GLU A 64 -10.581 2.396 -4.733 1.00 0.00 C ATOM 972 C GLU A 64 -9.163 2.891 -4.465 1.00 0.00 C ATOM 973 O GLU A 64 -8.189 2.185 -4.721 1.00 0.00 O ATOM 974 CB GLU A 64 -11.315 2.174 -3.409 1.00 0.00 C ATOM 975 CG GLU A 64 -12.792 1.859 -3.576 1.00 0.00 C ATOM 976 CD GLU A 64 -13.581 2.065 -2.298 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.309 3.054 -1.585 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.470 1.237 -2.010 1.00 0.00 O ATOM 0 H GLU A 64 -10.378 0.322 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.109 3.155 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.836 1.356 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.210 3.066 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.208 2.491 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.904 0.826 -3.905 1.00 0.00 H new ATOM 985 N ASN A 65 -9.057 4.111 -3.948 1.00 0.00 N ATOM 986 CA ASN A 65 -7.758 4.703 -3.646 1.00 0.00 C ATOM 987 C ASN A 65 -7.556 4.831 -2.139 1.00 0.00 C ATOM 988 O ASN A 65 -8.469 5.189 -1.394 1.00 0.00 O ATOM 989 CB ASN A 65 -7.635 6.077 -4.308 1.00 0.00 C ATOM 990 CG ASN A 65 -7.371 5.980 -5.798 1.00 0.00 C ATOM 991 OD1 ASN A 65 -6.293 5.566 -6.223 1.00 0.00 O ATOM 992 ND2 ASN A 65 -8.359 6.362 -6.599 1.00 0.00 N ATOM 0 H ASN A 65 -9.854 4.709 -3.730 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.985 4.045 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.552 6.641 -4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.827 6.634 -3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.241 6.319 -7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.236 6.699 -6.202 1.00 0.00 H new ATOM 999 N PRO A 66 -6.332 4.533 -1.679 1.00 0.00 N ATOM 1000 CA PRO A 66 -5.981 4.609 -0.258 1.00 0.00 C ATOM 1001 C PRO A 66 -5.930 6.046 0.251 1.00 0.00 C ATOM 1002 O PRO A 66 -6.208 6.310 1.421 1.00 0.00 O ATOM 1003 CB PRO A 66 -4.590 3.972 -0.202 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.028 4.170 -1.567 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.197 4.100 -2.511 1.00 0.00 C ATOM 0 HA PRO A 66 -6.719 4.111 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.967 4.448 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.649 2.914 0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.521 5.132 -1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.291 3.402 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.058 4.753 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.343 3.091 -2.896 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.573 6.970 -0.635 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.487 8.380 -0.275 1.00 0.00 C ATOM 1015 C ILE A 67 -6.873 9.006 -0.173 1.00 0.00 C ATOM 1016 O ILE A 67 -7.276 9.478 0.891 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.651 9.172 -1.298 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.204 8.677 -1.299 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.708 10.660 -0.988 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.398 9.169 -2.481 1.00 0.00 C ATOM 0 H ILE A 67 -5.339 6.768 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.997 8.429 0.697 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.070 9.011 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.718 8.999 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.201 7.587 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.113 11.207 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.742 11.002 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.310 10.839 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.382 8.779 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.861 8.824 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.369 10.259 -2.474 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.600 9.006 -1.286 1.00 0.00 N ATOM 1033 CA ILE A 68 -8.943 9.571 -1.321 1.00 0.00 C ATOM 1034 C ILE A 68 -9.852 8.894 -0.301 1.00 0.00 C ATOM 1035 O ILE A 68 -10.526 9.560 0.484 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.572 9.441 -2.720 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.787 10.272 -3.736 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.031 9.873 -2.687 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -7.616 9.534 -4.345 1.00 0.00 C ATOM 0 H ILE A 68 -7.281 8.621 -2.175 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.847 10.628 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.530 8.395 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.461 10.588 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.422 11.177 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.462 9.775 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.582 9.241 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.096 10.912 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.106 10.184 -5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.921 9.241 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.976 8.644 -4.861 1.00 0.00 H new ATOM 1051 N SER A 69 -9.864 7.565 -0.318 1.00 0.00 N ATOM 1052 CA SER A 69 -10.691 6.795 0.604 1.00 0.00 C ATOM 1053 C SER A 69 -10.696 7.432 1.990 1.00 0.00 C ATOM 1054 O SER A 69 -11.692 7.370 2.711 1.00 0.00 O ATOM 1055 CB SER A 69 -10.187 5.354 0.693 1.00 0.00 C ATOM 1056 OG SER A 69 -8.810 5.315 1.028 1.00 0.00 O ATOM 0 H SER A 69 -9.310 6.999 -0.961 1.00 0.00 H new ATOM 0 HA SER A 69 -11.712 6.791 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.762 4.810 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.347 4.850 -0.260 1.00 0.00 H new ATOM 0 HG SER A 69 -8.283 5.679 0.287 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.575 8.044 2.357 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.448 8.693 3.657 1.00 0.00 C ATOM 1064 C LEU A 70 -9.884 10.152 3.582 1.00 0.00 C ATOM 1065 O LEU A 70 -10.668 10.619 4.407 1.00 0.00 O ATOM 1066 CB LEU A 70 -8.003 8.605 4.153 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.633 7.335 4.919 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -6.122 7.169 4.980 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -8.224 7.365 6.321 1.00 0.00 C ATOM 0 H LEU A 70 -8.741 8.104 1.773 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.100 8.174 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.339 8.693 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.808 9.463 4.796 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.051 6.480 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.878 6.260 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.722 7.100 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.682 8.028 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.950 6.453 6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.836 8.229 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.310 7.435 6.257 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.371 10.868 2.586 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.709 12.274 2.402 1.00 0.00 C ATOM 1083 C ASN A 71 -11.155 12.544 2.807 1.00 0.00 C ATOM 1084 O ASN A 71 -11.477 13.613 3.326 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.490 12.686 0.945 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.050 13.067 0.661 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.175 12.905 1.512 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.798 13.577 -0.539 1.00 0.00 N ATOM 0 H ASN A 71 -8.720 10.497 1.894 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.055 12.866 3.042 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.781 11.864 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.139 13.529 0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.848 13.852 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.555 13.693 -1.213 1.00 0.00 H new ATOM 1095 N LYS A 72 -12.023 11.567 2.566 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.435 11.696 2.907 1.00 0.00 C ATOM 1097 C LYS A 72 -13.605 12.241 4.322 1.00 0.00 C ATOM 1098 O LYS A 72 -14.288 13.243 4.532 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.136 10.341 2.783 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.203 9.820 1.358 1.00 0.00 C ATOM 1101 CD LYS A 72 -15.065 8.572 1.261 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.204 8.101 -0.179 1.00 0.00 C ATOM 1103 NZ LYS A 72 -15.710 6.703 -0.259 1.00 0.00 N ATOM 0 H LYS A 72 -11.773 10.677 2.136 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.890 12.399 2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.613 9.613 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.148 10.427 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.607 10.594 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.197 9.597 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.626 7.777 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.052 8.777 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.884 8.764 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.237 8.166 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.791 6.420 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.049 6.066 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.644 6.646 0.194 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.980 11.575 5.286 1.00 0.00 N ATOM 1118 CA TRP A 73 -13.063 11.995 6.681 1.00 0.00 C ATOM 1119 C TRP A 73 -12.549 13.420 6.852 1.00 0.00 C ATOM 1120 O TRP A 73 -13.203 14.255 7.475 1.00 0.00 O ATOM 1121 CB TRP A 73 -12.263 11.041 7.570 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.576 9.596 7.323 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.880 8.731 6.529 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.667 8.850 7.874 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.472 7.491 6.552 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.570 7.538 7.370 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.715 9.162 8.744 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.482 6.542 7.709 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.619 8.172 9.079 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.498 6.875 8.563 1.00 0.00 C ATOM 0 H TRP A 73 -12.411 10.743 5.128 1.00 0.00 H new ATOM 0 HA TRP A 73 -14.111 11.968 6.981 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.199 11.208 7.405 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.464 11.275 8.615 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.994 8.984 5.965 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.147 6.669 6.043 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.817 10.159 9.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.391 5.542 7.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.433 8.402 9.750 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.221 6.123 8.845 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.373 13.692 6.294 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.793 15.018 6.396 1.00 0.00 C ATOM 1143 C GLY A 74 -10.411 15.375 7.819 1.00 0.00 C ATOM 1144 O GLY A 74 -9.332 15.013 8.287 1.00 0.00 O ATOM 0 H GLY A 74 -10.812 13.018 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.909 15.075 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.504 15.753 6.019 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.297 16.089 8.506 1.00 0.00 N ATOM 1149 CA GLN A 75 -11.045 16.497 9.883 1.00 0.00 C ATOM 1150 C GLN A 75 -10.654 15.299 10.743 1.00 0.00 C ATOM 1151 O GLN A 75 -9.831 15.417 11.652 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.282 17.179 10.470 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.531 16.313 10.429 1.00 0.00 C ATOM 1154 CD GLN A 75 -14.730 16.989 11.064 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -14.608 18.050 11.675 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -15.900 16.375 10.922 1.00 0.00 N ATOM 0 H GLN A 75 -12.195 16.397 8.132 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.216 17.205 9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.077 17.458 11.504 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.472 18.102 9.923 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.764 16.067 9.393 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.334 15.373 10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.956 15.496 10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.742 16.783 11.328 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.249 14.148 10.451 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.965 12.930 11.199 1.00 0.00 C ATOM 1167 C TYR A 76 -10.270 11.897 10.317 1.00 0.00 C ATOM 1168 O TYR A 76 -10.541 10.701 10.411 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.258 12.343 11.768 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.949 13.249 12.762 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.287 13.699 13.898 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -14.263 13.655 12.565 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.914 14.527 14.809 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -14.898 14.484 13.470 1.00 0.00 C ATOM 1175 CZ TYR A 76 -14.219 14.917 14.590 1.00 0.00 C ATOM 1176 OH TYR A 76 -14.848 15.741 15.495 1.00 0.00 O ATOM 0 H TYR A 76 -11.931 14.033 9.701 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.297 13.187 12.021 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.942 12.130 10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.034 11.392 12.251 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.265 13.396 14.072 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.797 13.317 11.689 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.386 14.867 15.687 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -15.920 14.791 13.301 1.00 0.00 H new ATOM 0 HH TYR A 76 -15.762 15.922 15.192 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.372 12.371 9.459 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.636 11.491 8.560 1.00 0.00 C ATOM 1188 C ALA A 77 -7.526 10.753 9.302 1.00 0.00 C ATOM 1189 O ALA A 77 -7.358 9.544 9.144 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.059 12.286 7.398 1.00 0.00 C ATOM 0 H ALA A 77 -9.137 13.359 9.368 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.331 10.749 8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.512 11.616 6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.869 12.762 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.382 13.050 7.780 1.00 0.00 H new ATOM 1196 N SER A 78 -6.771 11.490 10.111 1.00 0.00 N ATOM 1197 CA SER A 78 -5.673 10.906 10.874 1.00 0.00 C ATOM 1198 C SER A 78 -6.185 9.824 11.819 1.00 0.00 C ATOM 1199 O SER A 78 -5.586 8.754 11.938 1.00 0.00 O ATOM 1200 CB SER A 78 -4.943 11.991 11.668 1.00 0.00 C ATOM 1201 OG SER A 78 -4.106 12.763 10.826 1.00 0.00 O ATOM 0 H SER A 78 -6.899 12.492 10.255 1.00 0.00 H new ATOM 0 HA SER A 78 -4.976 10.450 10.171 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.670 12.640 12.157 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.347 11.530 12.456 1.00 0.00 H new ATOM 0 HG SER A 78 -3.652 13.450 11.357 1.00 0.00 H new ATOM 1207 N ASP A 79 -7.295 10.110 12.490 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.889 9.162 13.426 1.00 0.00 C ATOM 1209 C ASP A 79 -7.953 7.765 12.816 1.00 0.00 C ATOM 1210 O ASP A 79 -7.718 6.767 13.497 1.00 0.00 O ATOM 1211 CB ASP A 79 -9.291 9.621 13.829 1.00 0.00 C ATOM 1212 CG ASP A 79 -9.262 10.717 14.876 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -8.225 10.859 15.558 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -10.276 11.433 15.013 1.00 0.00 O ATOM 0 H ASP A 79 -7.802 10.991 12.403 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.259 9.123 14.315 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.821 9.980 12.946 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.852 8.770 14.214 1.00 0.00 H new ATOM 1219 N VAL A 80 -8.275 7.701 11.528 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.371 6.427 10.825 1.00 0.00 C ATOM 1221 C VAL A 80 -7.012 5.742 10.743 1.00 0.00 C ATOM 1222 O VAL A 80 -6.003 6.377 10.439 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.928 6.612 9.401 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -9.095 5.265 8.714 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.247 7.368 9.439 1.00 0.00 C ATOM 0 H VAL A 80 -8.474 8.517 10.950 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.057 5.801 11.396 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.215 7.201 8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.490 5.416 7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.128 4.765 8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.787 4.648 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.626 7.490 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.970 6.808 10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.091 8.349 9.888 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.994 4.441 11.015 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.758 3.669 10.972 1.00 0.00 C ATOM 1237 C GLN A 81 -5.872 2.513 9.984 1.00 0.00 C ATOM 1238 O GLN A 81 -6.832 1.742 10.022 1.00 0.00 O ATOM 1239 CB GLN A 81 -5.417 3.133 12.364 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.903 4.200 13.317 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.541 4.731 12.917 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.700 3.994 12.403 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -3.315 6.019 13.153 1.00 0.00 N ATOM 0 H GLN A 81 -7.821 3.900 11.267 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.958 4.331 10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.306 2.671 12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.665 2.350 12.269 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.615 5.025 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.846 3.786 14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.041 6.594 13.581 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.416 6.433 12.906 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.888 2.399 9.099 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.878 1.337 8.099 1.00 0.00 C ATOM 1254 C LEU A 82 -4.243 0.068 8.658 1.00 0.00 C ATOM 1255 O LEU A 82 -3.383 0.129 9.537 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.121 1.792 6.850 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.798 2.879 6.014 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -3.757 3.740 5.314 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.748 2.259 5.000 1.00 0.00 C ATOM 0 H LEU A 82 -4.087 3.029 9.053 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.911 1.116 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.140 2.155 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.955 0.923 6.214 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.377 3.516 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.257 4.508 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.117 4.214 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.150 3.116 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.220 3.048 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.191 1.598 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.514 1.686 5.522 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.670 -1.079 8.141 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.140 -2.362 8.587 1.00 0.00 C ATOM 1273 C ILE A 83 -4.083 -3.363 7.438 1.00 0.00 C ATOM 1274 O ILE A 83 -5.114 -3.750 6.886 1.00 0.00 O ATOM 1275 CB ILE A 83 -4.987 -2.955 9.728 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -4.980 -2.018 10.938 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.466 -4.331 10.114 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.073 -2.317 11.940 1.00 0.00 C ATOM 0 H ILE A 83 -5.381 -1.146 7.413 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.131 -2.176 8.954 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.015 -3.061 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.013 -2.088 11.436 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.087 -0.990 10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.075 -4.737 10.922 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.518 -4.995 9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.431 -4.248 10.446 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.007 -1.614 12.771 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.046 -2.219 11.458 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.955 -3.334 12.315 1.00 0.00 H new ATOM 1290 N LEU A 84 -2.873 -3.779 7.082 1.00 0.00 N ATOM 1291 CA LEU A 84 -2.681 -4.737 5.999 1.00 0.00 C ATOM 1292 C LEU A 84 -2.964 -6.159 6.473 1.00 0.00 C ATOM 1293 O LEU A 84 -2.201 -6.726 7.256 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.254 -4.643 5.456 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.020 -5.256 4.074 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.298 -4.235 2.983 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.401 -5.788 3.961 1.00 0.00 C ATOM 0 H LEU A 84 -2.010 -3.468 7.528 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.384 -4.493 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.970 -3.591 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.584 -5.129 6.165 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.710 -6.090 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.126 -4.689 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.334 -3.903 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.634 -3.380 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.550 -6.221 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.108 -4.972 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.564 -6.553 4.720 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.063 -6.730 5.992 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.447 -8.086 6.367 1.00 0.00 C ATOM 1311 C ARG A 85 -4.362 -9.025 5.167 1.00 0.00 C ATOM 1312 O ARG A 85 -4.339 -8.581 4.019 1.00 0.00 O ATOM 1313 CB ARG A 85 -5.865 -8.098 6.939 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.186 -9.347 7.744 1.00 0.00 C ATOM 1315 CD ARG A 85 -7.327 -9.102 8.720 1.00 0.00 C ATOM 1316 NE ARG A 85 -6.897 -8.332 9.883 1.00 0.00 N ATOM 1317 CZ ARG A 85 -6.115 -8.821 10.840 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -5.680 -10.071 10.771 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -5.767 -8.058 11.868 1.00 0.00 N ATOM 0 H ARG A 85 -4.704 -6.275 5.342 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.753 -8.436 7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.999 -7.222 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.579 -8.010 6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.452 -10.159 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.299 -9.666 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.131 -8.571 8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.734 -10.058 9.049 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.214 -7.366 9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.945 -10.660 9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.080 -10.444 11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.100 -7.095 11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.167 -8.434 12.602 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.317 -10.324 5.441 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.233 -11.326 4.385 1.00 0.00 C ATOM 1335 C ARG A 86 -5.517 -12.148 4.313 1.00 0.00 C ATOM 1336 O ARG A 86 -5.873 -12.848 5.262 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.036 -12.249 4.622 1.00 0.00 C ATOM 1338 CG ARG A 86 -3.233 -13.218 5.776 1.00 0.00 C ATOM 1339 CD ARG A 86 -1.902 -13.695 6.336 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.039 -14.239 7.684 1.00 0.00 N ATOM 1341 CZ ARG A 86 -1.033 -14.776 8.366 1.00 0.00 C ATOM 1342 NH1 ARG A 86 0.177 -14.840 7.828 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -1.236 -15.250 9.588 1.00 0.00 N ATOM 0 H ARG A 86 -4.337 -10.708 6.386 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.100 -10.807 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.840 -12.816 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.152 -11.641 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.808 -12.734 6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.815 -14.075 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.484 -14.457 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.196 -12.865 6.350 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.957 -14.205 8.126 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.337 -14.477 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.948 -15.253 8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.165 -15.203 10.006 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.463 -15.662 10.110 1.00 0.00 H new ATOM 1357 N THR A 87 -6.208 -12.059 3.181 1.00 0.00 N ATOM 1358 CA THR A 87 -7.452 -12.792 2.985 1.00 0.00 C ATOM 1359 C THR A 87 -7.315 -14.239 3.443 1.00 0.00 C ATOM 1360 O THR A 87 -8.163 -14.753 4.172 1.00 0.00 O ATOM 1361 CB THR A 87 -7.889 -12.772 1.508 1.00 0.00 C ATOM 1362 OG1 THR A 87 -6.851 -13.311 0.683 1.00 0.00 O ATOM 1363 CG2 THR A 87 -8.217 -11.356 1.060 1.00 0.00 C ATOM 0 H THR A 87 -5.927 -11.486 2.385 1.00 0.00 H new ATOM 0 HA THR A 87 -8.211 -12.293 3.588 1.00 0.00 H new ATOM 0 HB THR A 87 -8.786 -13.384 1.409 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.137 -13.296 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.523 -11.367 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.028 -10.960 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.335 -10.725 1.173 1.00 0.00 H new ATOM 1371 N GLY A 88 -6.240 -14.893 3.012 1.00 0.00 N ATOM 1372 CA GLY A 88 -6.012 -16.275 3.389 1.00 0.00 C ATOM 1373 C GLY A 88 -4.646 -16.774 2.963 1.00 0.00 C ATOM 1374 O GLY A 88 -4.112 -16.378 1.926 1.00 0.00 O ATOM 0 H GLY A 88 -5.523 -14.490 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.111 -16.375 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.781 -16.903 2.939 1.00 0.00 H new ATOM 1378 N PRO A 89 -4.056 -17.665 3.774 1.00 0.00 N ATOM 1379 CA PRO A 89 -2.736 -18.237 3.496 1.00 0.00 C ATOM 1380 C PRO A 89 -2.756 -19.189 2.305 1.00 0.00 C ATOM 1381 O PRO A 89 -3.127 -20.355 2.437 1.00 0.00 O ATOM 1382 CB PRO A 89 -2.400 -18.997 4.782 1.00 0.00 C ATOM 1383 CG PRO A 89 -3.723 -19.323 5.386 1.00 0.00 C ATOM 1384 CD PRO A 89 -4.635 -18.182 5.026 1.00 0.00 C ATOM 0 HA PRO A 89 -2.007 -17.470 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.828 -19.900 4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.796 -18.388 5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.107 -20.267 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.642 -19.432 6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.662 -18.518 4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.653 -17.420 5.805 1.00 0.00 H new ATOM 1392 N SER A 90 -2.353 -18.684 1.143 1.00 0.00 N ATOM 1393 CA SER A 90 -2.328 -19.489 -0.072 1.00 0.00 C ATOM 1394 C SER A 90 -1.102 -19.158 -0.918 1.00 0.00 C ATOM 1395 O SER A 90 -0.947 -18.035 -1.394 1.00 0.00 O ATOM 1396 CB SER A 90 -3.601 -19.259 -0.888 1.00 0.00 C ATOM 1397 OG SER A 90 -3.547 -19.950 -2.124 1.00 0.00 O ATOM 0 H SER A 90 -2.040 -17.721 1.018 1.00 0.00 H new ATOM 0 HA SER A 90 -2.276 -20.538 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.467 -19.594 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.732 -18.192 -1.070 1.00 0.00 H new ATOM 0 HG SER A 90 -4.373 -19.788 -2.626 1.00 0.00 H new ATOM 1403 N GLY A 91 -0.231 -20.147 -1.100 1.00 0.00 N ATOM 1404 CA GLY A 91 0.970 -19.942 -1.887 1.00 0.00 C ATOM 1405 C GLY A 91 2.235 -20.086 -1.064 1.00 0.00 C ATOM 1406 O GLY A 91 2.266 -19.769 0.126 1.00 0.00 O ATOM 0 H GLY A 91 -0.337 -21.086 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.990 -20.660 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.942 -18.948 -2.334 1.00 0.00 H new ATOM 1410 N PRO A 92 3.308 -20.576 -1.701 1.00 0.00 N ATOM 1411 CA PRO A 92 4.601 -20.773 -1.038 1.00 0.00 C ATOM 1412 C PRO A 92 5.284 -19.454 -0.696 1.00 0.00 C ATOM 1413 O PRO A 92 4.734 -18.379 -0.935 1.00 0.00 O ATOM 1414 CB PRO A 92 5.418 -21.545 -2.077 1.00 0.00 C ATOM 1415 CG PRO A 92 4.808 -21.180 -3.386 1.00 0.00 C ATOM 1416 CD PRO A 92 3.343 -20.975 -3.118 1.00 0.00 C ATOM 0 HA PRO A 92 4.496 -21.293 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 92 6.471 -21.266 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.367 -22.620 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.261 -20.274 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.963 -21.969 -4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.920 -20.205 -3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.771 -21.886 -3.293 1.00 0.00 H new ATOM 1424 N SER A 93 6.486 -19.543 -0.136 1.00 0.00 N ATOM 1425 CA SER A 93 7.244 -18.355 0.242 1.00 0.00 C ATOM 1426 C SER A 93 8.350 -18.072 -0.770 1.00 0.00 C ATOM 1427 O SER A 93 8.883 -18.988 -1.396 1.00 0.00 O ATOM 1428 CB SER A 93 7.845 -18.531 1.637 1.00 0.00 C ATOM 1429 OG SER A 93 6.881 -18.278 2.644 1.00 0.00 O ATOM 0 H SER A 93 6.956 -20.425 0.066 1.00 0.00 H new ATOM 0 HA SER A 93 6.561 -17.506 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.230 -19.545 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.690 -17.854 1.760 1.00 0.00 H new ATOM 0 HG SER A 93 7.290 -18.399 3.526 1.00 0.00 H new ATOM 1435 N SER A 94 8.691 -16.797 -0.924 1.00 0.00 N ATOM 1436 CA SER A 94 9.731 -16.391 -1.861 1.00 0.00 C ATOM 1437 C SER A 94 10.604 -15.292 -1.262 1.00 0.00 C ATOM 1438 O SER A 94 10.276 -14.721 -0.224 1.00 0.00 O ATOM 1439 CB SER A 94 9.106 -15.904 -3.170 1.00 0.00 C ATOM 1440 OG SER A 94 8.831 -16.990 -4.039 1.00 0.00 O ATOM 0 H SER A 94 8.262 -16.027 -0.411 1.00 0.00 H new ATOM 0 HA SER A 94 10.359 -17.258 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.185 -15.362 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.782 -15.203 -3.661 1.00 0.00 H new ATOM 0 HG SER A 94 8.431 -16.653 -4.867 1.00 0.00 H new ATOM 1446 N GLY A 95 11.719 -15.002 -1.927 1.00 0.00 N ATOM 1447 CA GLY A 95 12.622 -13.974 -1.446 1.00 0.00 C ATOM 1448 C GLY A 95 14.020 -14.117 -2.017 1.00 0.00 C ATOM 1449 O GLY A 95 14.323 -13.570 -3.077 1.00 0.00 O ATOM 0 H GLY A 95 12.012 -15.461 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.224 -12.994 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.671 -14.018 -0.358 1.00 0.00 H new TER 1453 GLY A 95