USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 592 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 53 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.8!) 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 23:sc= 0.7 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0625) USER MOD Single : A 13 THR OG1 : rot -90:sc= 0.332 USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0479 (180deg=-0.291) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0.937 (180deg=0.853) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.108 (180deg=-0.295) USER MOD Single : A 35 SER OG : rot -52:sc= 0.784 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.811) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -11:sc= 0.405 USER MOD Single : A 52 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 136:sc= 0.596 (180deg=-0.524) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.438 USER MOD Single : A 64 LYS NZ :NH3+ -100:sc= -1.13 (180deg=-3.35!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 68 ASN : amide:sc= -2.2 K(o=-2.2,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -0.644 K(o=-0.64,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc=-0.00344 (180deg=-0.102) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.668 -0.004 -10.827 1.00 0.00 N ATOM 2 CA GLY A 1 -26.666 -0.896 -10.274 1.00 0.00 C ATOM 3 C GLY A 1 -25.996 -0.322 -9.041 1.00 0.00 C ATOM 4 O GLY A 1 -25.099 0.514 -9.147 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.096 -0.442 -11.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.405 0.174 -10.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.221 0.896 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.132 -1.848 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.910 -1.103 -11.032 1.00 0.00 H new ATOM 8 N SER A 2 -26.433 -0.771 -7.869 1.00 0.00 N ATOM 9 CA SER A 2 -25.873 -0.293 -6.610 1.00 0.00 C ATOM 10 C SER A 2 -24.409 -0.703 -6.476 1.00 0.00 C ATOM 11 O SER A 2 -24.010 -1.776 -6.927 1.00 0.00 O ATOM 12 CB SER A 2 -26.677 -0.839 -5.429 1.00 0.00 C ATOM 13 OG SER A 2 -26.631 -2.255 -5.392 1.00 0.00 O ATOM 0 H SER A 2 -27.173 -1.465 -7.765 1.00 0.00 H new ATOM 0 HA SER A 2 -25.930 0.796 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.281 -0.435 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.713 -0.507 -5.506 1.00 0.00 H new ATOM 0 HG SER A 2 -27.151 -2.579 -4.627 1.00 0.00 H new ATOM 19 N SER A 3 -23.614 0.161 -5.853 1.00 0.00 N ATOM 20 CA SER A 3 -22.194 -0.108 -5.663 1.00 0.00 C ATOM 21 C SER A 3 -21.987 -1.357 -4.811 1.00 0.00 C ATOM 22 O SER A 3 -22.893 -1.798 -4.105 1.00 0.00 O ATOM 23 CB SER A 3 -21.510 1.091 -5.004 1.00 0.00 C ATOM 24 OG SER A 3 -21.745 1.109 -3.607 1.00 0.00 O ATOM 0 H SER A 3 -23.929 1.053 -5.471 1.00 0.00 H new ATOM 0 HA SER A 3 -21.748 -0.279 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.438 1.052 -5.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.879 2.014 -5.450 1.00 0.00 H new ATOM 0 HG SER A 3 -21.296 1.884 -3.210 1.00 0.00 H new ATOM 30 N GLY A 4 -20.786 -1.923 -4.883 1.00 0.00 N ATOM 31 CA GLY A 4 -20.480 -3.115 -4.115 1.00 0.00 C ATOM 32 C GLY A 4 -19.244 -3.831 -4.622 1.00 0.00 C ATOM 33 O GLY A 4 -18.155 -3.258 -4.652 1.00 0.00 O ATOM 0 H GLY A 4 -20.019 -1.577 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.335 -2.842 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.331 -3.795 -4.152 1.00 0.00 H new ATOM 37 N SER A 5 -19.411 -5.088 -5.021 1.00 0.00 N ATOM 38 CA SER A 5 -18.299 -5.885 -5.524 1.00 0.00 C ATOM 39 C SER A 5 -18.146 -5.712 -7.032 1.00 0.00 C ATOM 40 O SER A 5 -17.086 -5.316 -7.518 1.00 0.00 O ATOM 41 CB SER A 5 -18.509 -7.362 -5.188 1.00 0.00 C ATOM 42 OG SER A 5 -17.270 -8.038 -5.060 1.00 0.00 O ATOM 0 H SER A 5 -20.306 -5.576 -5.005 1.00 0.00 H new ATOM 0 HA SER A 5 -17.386 -5.536 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.072 -7.450 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.105 -7.834 -5.969 1.00 0.00 H new ATOM 0 HG SER A 5 -17.432 -8.980 -4.843 1.00 0.00 H new ATOM 48 N SER A 6 -19.212 -6.012 -7.768 1.00 0.00 N ATOM 49 CA SER A 6 -19.196 -5.894 -9.221 1.00 0.00 C ATOM 50 C SER A 6 -18.869 -4.466 -9.647 1.00 0.00 C ATOM 51 O SER A 6 -19.639 -3.540 -9.395 1.00 0.00 O ATOM 52 CB SER A 6 -20.547 -6.316 -9.803 1.00 0.00 C ATOM 53 OG SER A 6 -21.578 -5.439 -9.384 1.00 0.00 O ATOM 0 H SER A 6 -20.098 -6.339 -7.381 1.00 0.00 H new ATOM 0 HA SER A 6 -18.420 -6.556 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.491 -6.323 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.780 -7.333 -9.489 1.00 0.00 H new ATOM 0 HG SER A 6 -21.190 -4.577 -9.128 1.00 0.00 H new ATOM 59 N GLY A 7 -17.720 -4.296 -10.293 1.00 0.00 N ATOM 60 CA GLY A 7 -17.310 -2.979 -10.744 1.00 0.00 C ATOM 61 C GLY A 7 -15.881 -2.957 -11.249 1.00 0.00 C ATOM 62 O GLY A 7 -15.270 -4.007 -11.449 1.00 0.00 O ATOM 0 H GLY A 7 -17.065 -5.047 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.978 -2.646 -11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.413 -2.269 -9.923 1.00 0.00 H new ATOM 66 N TYR A 8 -15.347 -1.759 -11.457 1.00 0.00 N ATOM 67 CA TYR A 8 -13.982 -1.605 -11.946 1.00 0.00 C ATOM 68 C TYR A 8 -13.220 -0.574 -11.119 1.00 0.00 C ATOM 69 O TYR A 8 -13.423 0.631 -11.269 1.00 0.00 O ATOM 70 CB TYR A 8 -13.989 -1.190 -13.418 1.00 0.00 C ATOM 71 CG TYR A 8 -12.706 -1.521 -14.147 1.00 0.00 C ATOM 72 CD1 TYR A 8 -12.297 -2.839 -14.310 1.00 0.00 C ATOM 73 CD2 TYR A 8 -11.903 -0.516 -14.671 1.00 0.00 C ATOM 74 CE1 TYR A 8 -11.126 -3.146 -14.975 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.730 -0.813 -15.337 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.346 -2.130 -15.487 1.00 0.00 C ATOM 77 OH TYR A 8 -9.178 -2.430 -16.149 1.00 0.00 O ATOM 0 H TYR A 8 -15.838 -0.880 -11.295 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.478 -2.566 -11.849 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.821 -1.683 -13.922 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.168 -0.117 -13.483 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.905 -3.637 -13.910 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.201 0.516 -14.556 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.823 -4.176 -15.093 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.117 -0.019 -15.738 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.749 -1.601 -16.447 1.00 0.00 H new ATOM 87 N SER A 9 -12.342 -1.057 -10.246 1.00 0.00 N ATOM 88 CA SER A 9 -11.551 -0.179 -9.392 1.00 0.00 C ATOM 89 C SER A 9 -10.369 -0.930 -8.787 1.00 0.00 C ATOM 90 O SER A 9 -10.535 -1.996 -8.193 1.00 0.00 O ATOM 91 CB SER A 9 -12.423 0.406 -8.280 1.00 0.00 C ATOM 92 OG SER A 9 -11.909 1.648 -7.829 1.00 0.00 O ATOM 0 H SER A 9 -12.160 -2.052 -10.111 1.00 0.00 H new ATOM 0 HA SER A 9 -11.165 0.634 -10.007 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.441 0.541 -8.645 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.474 -0.295 -7.446 1.00 0.00 H new ATOM 0 HG SER A 9 -12.485 2.002 -7.120 1.00 0.00 H new ATOM 98 N VAL A 10 -9.176 -0.366 -8.940 1.00 0.00 N ATOM 99 CA VAL A 10 -7.965 -0.981 -8.408 1.00 0.00 C ATOM 100 C VAL A 10 -7.321 -0.097 -7.347 1.00 0.00 C ATOM 101 O VAL A 10 -6.889 1.021 -7.632 1.00 0.00 O ATOM 102 CB VAL A 10 -6.939 -1.257 -9.523 1.00 0.00 C ATOM 103 CG1 VAL A 10 -6.818 -0.055 -10.448 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.588 -1.618 -8.925 1.00 0.00 C ATOM 0 H VAL A 10 -9.021 0.516 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.263 -1.927 -7.957 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.288 -2.105 -10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.089 -0.269 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.786 0.153 -10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.492 0.813 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.875 -1.810 -9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.230 -0.792 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.690 -2.511 -8.309 1.00 0.00 H new ATOM 114 N LYS A 11 -7.258 -0.604 -6.120 1.00 0.00 N ATOM 115 CA LYS A 11 -6.665 0.138 -5.014 1.00 0.00 C ATOM 116 C LYS A 11 -5.978 -0.806 -4.033 1.00 0.00 C ATOM 117 O LYS A 11 -6.545 -1.823 -3.635 1.00 0.00 O ATOM 118 CB LYS A 11 -7.736 0.955 -4.288 1.00 0.00 C ATOM 119 CG LYS A 11 -7.205 1.730 -3.095 1.00 0.00 C ATOM 120 CD LYS A 11 -7.282 0.911 -1.818 1.00 0.00 C ATOM 121 CE LYS A 11 -7.035 1.771 -0.588 1.00 0.00 C ATOM 122 NZ LYS A 11 -8.199 2.648 -0.282 1.00 0.00 N ATOM 0 H LYS A 11 -7.611 -1.527 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.916 0.816 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.188 1.653 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.527 0.284 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.171 2.020 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.778 2.650 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.263 0.442 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.546 0.107 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.829 1.129 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.149 2.386 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.073 3.077 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.267 3.398 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.071 2.082 -0.289 1.00 0.00 H new ATOM 136 N TRP A 12 -4.755 -0.461 -3.645 1.00 0.00 N ATOM 137 CA TRP A 12 -3.992 -1.278 -2.709 1.00 0.00 C ATOM 138 C TRP A 12 -3.942 -0.624 -1.332 1.00 0.00 C ATOM 139 O TRP A 12 -4.398 0.506 -1.152 1.00 0.00 O ATOM 140 CB TRP A 12 -2.572 -1.500 -3.233 1.00 0.00 C ATOM 141 CG TRP A 12 -2.506 -2.461 -4.381 1.00 0.00 C ATOM 142 CD1 TRP A 12 -3.279 -2.448 -5.507 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.621 -3.579 -4.513 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.928 -3.489 -6.331 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.912 -4.197 -5.744 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.609 -4.115 -3.712 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.229 -5.325 -6.191 1.00 0.00 C ATOM 148 CZ3 TRP A 12 0.068 -5.235 -4.156 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.243 -5.830 -5.386 1.00 0.00 C ATOM 0 H TRP A 12 -4.271 0.378 -3.964 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.492 -2.242 -2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.154 -0.543 -3.545 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.947 -1.871 -2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.053 -1.725 -5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.354 -3.701 -7.233 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.361 -3.662 -2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.468 -5.785 -7.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.850 -5.659 -3.544 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.306 -6.704 -5.705 1.00 0.00 H new ATOM 160 N THR A 13 -3.385 -1.341 -0.361 1.00 0.00 N ATOM 161 CA THR A 13 -3.277 -0.831 1.000 1.00 0.00 C ATOM 162 C THR A 13 -1.860 -0.995 1.538 1.00 0.00 C ATOM 163 O THR A 13 -1.205 -2.008 1.290 1.00 0.00 O ATOM 164 CB THR A 13 -4.259 -1.545 1.948 1.00 0.00 C ATOM 165 OG1 THR A 13 -4.051 -2.961 1.892 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.699 -1.224 1.577 1.00 0.00 C ATOM 0 H THR A 13 -3.002 -2.277 -0.492 1.00 0.00 H new ATOM 0 HA THR A 13 -3.528 0.229 0.960 1.00 0.00 H new ATOM 0 HB THR A 13 -4.074 -1.190 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.626 -3.349 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.374 -1.739 2.260 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.862 -0.149 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.894 -1.554 0.557 1.00 0.00 H new ATOM 174 N ILE A 14 -1.392 0.007 2.275 1.00 0.00 N ATOM 175 CA ILE A 14 -0.053 -0.028 2.849 1.00 0.00 C ATOM 176 C ILE A 14 0.317 -1.438 3.295 1.00 0.00 C ATOM 177 O ILE A 14 1.332 -1.988 2.869 1.00 0.00 O ATOM 178 CB ILE A 14 0.070 0.928 4.050 1.00 0.00 C ATOM 179 CG1 ILE A 14 -0.210 2.367 3.615 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.452 0.817 4.676 1.00 0.00 C ATOM 181 CD1 ILE A 14 -1.673 2.746 3.685 1.00 0.00 C ATOM 0 H ILE A 14 -1.921 0.853 2.488 1.00 0.00 H new ATOM 0 HA ILE A 14 0.634 0.295 2.067 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.670 0.645 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.364 3.047 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.144 2.505 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.523 1.499 5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.616 -0.205 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.209 1.078 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.797 3.780 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.250 2.091 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.027 2.641 4.710 1.00 0.00 H new ATOM 193 N GLU A 15 -0.514 -2.019 4.155 1.00 0.00 N ATOM 194 CA GLU A 15 -0.274 -3.366 4.658 1.00 0.00 C ATOM 195 C GLU A 15 0.184 -4.292 3.535 1.00 0.00 C ATOM 196 O GLU A 15 1.234 -4.926 3.630 1.00 0.00 O ATOM 197 CB GLU A 15 -1.541 -3.924 5.310 1.00 0.00 C ATOM 198 CG GLU A 15 -1.301 -5.184 6.125 1.00 0.00 C ATOM 199 CD GLU A 15 -2.591 -5.838 6.581 1.00 0.00 C ATOM 200 OE1 GLU A 15 -3.492 -6.023 5.737 1.00 0.00 O ATOM 201 OE2 GLU A 15 -2.699 -6.164 7.781 1.00 0.00 O ATOM 0 H GLU A 15 -1.359 -1.578 4.518 1.00 0.00 H new ATOM 0 HA GLU A 15 0.517 -3.312 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.974 -3.160 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.275 -4.138 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.729 -5.895 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.695 -4.938 6.997 1.00 0.00 H new ATOM 208 N GLU A 16 -0.614 -4.365 2.474 1.00 0.00 N ATOM 209 CA GLU A 16 -0.291 -5.215 1.334 1.00 0.00 C ATOM 210 C GLU A 16 0.980 -4.734 0.639 1.00 0.00 C ATOM 211 O GLU A 16 1.921 -5.502 0.439 1.00 0.00 O ATOM 212 CB GLU A 16 -1.453 -5.235 0.339 1.00 0.00 C ATOM 213 CG GLU A 16 -2.720 -5.862 0.895 1.00 0.00 C ATOM 214 CD GLU A 16 -3.914 -5.676 -0.021 1.00 0.00 C ATOM 215 OE1 GLU A 16 -3.778 -5.936 -1.235 1.00 0.00 O ATOM 216 OE2 GLU A 16 -4.986 -5.271 0.477 1.00 0.00 O ATOM 0 H GLU A 16 -1.487 -3.847 2.380 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.122 -6.226 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.670 -4.214 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.148 -5.783 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.553 -6.927 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.941 -5.423 1.868 1.00 0.00 H new ATOM 223 N LYS A 17 0.999 -3.457 0.272 1.00 0.00 N ATOM 224 CA LYS A 17 2.153 -2.871 -0.400 1.00 0.00 C ATOM 225 C LYS A 17 3.455 -3.380 0.211 1.00 0.00 C ATOM 226 O LYS A 17 4.423 -3.645 -0.501 1.00 0.00 O ATOM 227 CB LYS A 17 2.099 -1.344 -0.313 1.00 0.00 C ATOM 228 CG LYS A 17 1.060 -0.719 -1.228 1.00 0.00 C ATOM 229 CD LYS A 17 0.962 0.782 -1.016 1.00 0.00 C ATOM 230 CE LYS A 17 2.070 1.522 -1.749 1.00 0.00 C ATOM 231 NZ LYS A 17 1.890 1.469 -3.226 1.00 0.00 N ATOM 0 H LYS A 17 0.228 -2.808 0.429 1.00 0.00 H new ATOM 0 HA LYS A 17 2.122 -3.170 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.886 -1.054 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.080 -0.939 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.318 -0.925 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.089 -1.178 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.007 1.137 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.018 1.004 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.090 2.562 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.034 1.087 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.449 2.225 -3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.210 0.546 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.885 1.599 -3.458 1.00 0.00 H new ATOM 245 N GLU A 18 3.470 -3.515 1.533 1.00 0.00 N ATOM 246 CA GLU A 18 4.653 -3.993 2.238 1.00 0.00 C ATOM 247 C GLU A 18 4.916 -5.464 1.926 1.00 0.00 C ATOM 248 O GLU A 18 5.995 -5.827 1.455 1.00 0.00 O ATOM 249 CB GLU A 18 4.487 -3.803 3.747 1.00 0.00 C ATOM 250 CG GLU A 18 4.360 -2.349 4.167 1.00 0.00 C ATOM 251 CD GLU A 18 5.681 -1.607 4.109 1.00 0.00 C ATOM 252 OE1 GLU A 18 6.693 -2.158 4.591 1.00 0.00 O ATOM 253 OE2 GLU A 18 5.703 -0.476 3.580 1.00 0.00 O ATOM 0 H GLU A 18 2.677 -3.300 2.137 1.00 0.00 H new ATOM 0 HA GLU A 18 5.508 -3.408 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.602 -4.347 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.342 -4.246 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.639 -1.850 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.965 -2.301 5.182 1.00 0.00 H new ATOM 260 N LEU A 19 3.923 -6.305 2.191 1.00 0.00 N ATOM 261 CA LEU A 19 4.045 -7.737 1.939 1.00 0.00 C ATOM 262 C LEU A 19 4.610 -7.998 0.546 1.00 0.00 C ATOM 263 O LEU A 19 5.615 -8.693 0.393 1.00 0.00 O ATOM 264 CB LEU A 19 2.684 -8.419 2.085 1.00 0.00 C ATOM 265 CG LEU A 19 2.254 -8.760 3.512 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.751 -8.981 3.579 1.00 0.00 C ATOM 267 CD2 LEU A 19 2.998 -9.990 4.013 1.00 0.00 C ATOM 0 H LEU A 19 3.024 -6.021 2.580 1.00 0.00 H new ATOM 0 HA LEU A 19 4.733 -8.153 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.926 -7.772 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.697 -9.339 1.501 1.00 0.00 H new ATOM 0 HG LEU A 19 2.506 -7.919 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.464 -9.223 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.235 -8.074 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.475 -9.805 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.680 -10.218 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.777 -10.838 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.070 -9.795 4.003 1.00 0.00 H new ATOM 279 N PHE A 20 3.959 -7.436 -0.466 1.00 0.00 N ATOM 280 CA PHE A 20 4.397 -7.607 -1.847 1.00 0.00 C ATOM 281 C PHE A 20 5.919 -7.556 -1.945 1.00 0.00 C ATOM 282 O PHE A 20 6.554 -8.510 -2.391 1.00 0.00 O ATOM 283 CB PHE A 20 3.781 -6.526 -2.737 1.00 0.00 C ATOM 284 CG PHE A 20 4.542 -6.292 -4.011 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.575 -5.370 -4.056 1.00 0.00 C ATOM 286 CD2 PHE A 20 4.225 -6.995 -5.162 1.00 0.00 C ATOM 287 CE1 PHE A 20 6.278 -5.152 -5.226 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.925 -6.782 -6.335 1.00 0.00 C ATOM 289 CZ PHE A 20 5.952 -5.859 -6.367 1.00 0.00 C ATOM 0 H PHE A 20 3.126 -6.858 -0.357 1.00 0.00 H new ATOM 0 HA PHE A 20 4.061 -8.585 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.757 -6.808 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.729 -5.592 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.834 -4.815 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.422 -7.717 -5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.081 -4.430 -5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.669 -7.337 -7.226 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.499 -5.690 -7.283 1.00 0.00 H new ATOM 299 N GLU A 21 6.496 -6.434 -1.525 1.00 0.00 N ATOM 300 CA GLU A 21 7.942 -6.258 -1.566 1.00 0.00 C ATOM 301 C GLU A 21 8.656 -7.475 -0.986 1.00 0.00 C ATOM 302 O GLU A 21 9.466 -8.112 -1.659 1.00 0.00 O ATOM 303 CB GLU A 21 8.348 -5.000 -0.795 1.00 0.00 C ATOM 304 CG GLU A 21 8.349 -3.740 -1.644 1.00 0.00 C ATOM 305 CD GLU A 21 9.301 -2.683 -1.118 1.00 0.00 C ATOM 306 OE1 GLU A 21 8.967 -2.036 -0.104 1.00 0.00 O ATOM 307 OE2 GLU A 21 10.380 -2.503 -1.720 1.00 0.00 O ATOM 0 H GLU A 21 5.984 -5.634 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 21 8.238 -6.148 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.666 -4.862 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.343 -5.146 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.625 -3.996 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.340 -3.329 -1.680 1.00 0.00 H new ATOM 314 N GLN A 22 8.348 -7.792 0.268 1.00 0.00 N ATOM 315 CA GLN A 22 8.961 -8.932 0.940 1.00 0.00 C ATOM 316 C GLN A 22 9.153 -10.095 -0.028 1.00 0.00 C ATOM 317 O GLN A 22 10.277 -10.533 -0.273 1.00 0.00 O ATOM 318 CB GLN A 22 8.100 -9.376 2.124 1.00 0.00 C ATOM 319 CG GLN A 22 8.900 -9.995 3.259 1.00 0.00 C ATOM 320 CD GLN A 22 8.107 -11.026 4.037 1.00 0.00 C ATOM 321 OE1 GLN A 22 7.565 -10.734 5.103 1.00 0.00 O ATOM 322 NE2 GLN A 22 8.035 -12.241 3.507 1.00 0.00 N ATOM 0 H GLN A 22 7.678 -7.276 0.839 1.00 0.00 H new ATOM 0 HA GLN A 22 9.940 -8.623 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.550 -8.516 2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.361 -10.098 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.797 -10.463 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.230 -9.208 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.500 -12.439 2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.515 -12.976 3.986 1.00 0.00 H new ATOM 331 N GLY A 23 8.048 -10.592 -0.576 1.00 0.00 N ATOM 332 CA GLY A 23 8.117 -11.700 -1.511 1.00 0.00 C ATOM 333 C GLY A 23 8.851 -11.337 -2.787 1.00 0.00 C ATOM 334 O GLY A 23 9.555 -12.167 -3.365 1.00 0.00 O ATOM 0 H GLY A 23 7.106 -10.247 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.618 -12.543 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.107 -12.027 -1.757 1.00 0.00 H new ATOM 338 N LEU A 24 8.685 -10.096 -3.230 1.00 0.00 N ATOM 339 CA LEU A 24 9.336 -9.625 -4.448 1.00 0.00 C ATOM 340 C LEU A 24 10.852 -9.735 -4.333 1.00 0.00 C ATOM 341 O LEU A 24 11.532 -10.109 -5.288 1.00 0.00 O ATOM 342 CB LEU A 24 8.938 -8.176 -4.735 1.00 0.00 C ATOM 343 CG LEU A 24 9.481 -7.575 -6.031 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.535 -7.857 -7.188 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.703 -6.078 -5.874 1.00 0.00 C ATOM 0 H LEU A 24 8.105 -9.398 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 24 9.007 -10.256 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.850 -8.117 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.273 -7.557 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 24 10.441 -8.043 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.938 -7.421 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.428 -8.934 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.560 -7.418 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.090 -5.668 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.758 -5.594 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.421 -5.899 -5.074 1.00 0.00 H new ATOM 357 N ALA A 25 11.376 -9.409 -3.155 1.00 0.00 N ATOM 358 CA ALA A 25 12.812 -9.476 -2.913 1.00 0.00 C ATOM 359 C ALA A 25 13.249 -10.901 -2.591 1.00 0.00 C ATOM 360 O ALA A 25 14.287 -11.365 -3.064 1.00 0.00 O ATOM 361 CB ALA A 25 13.201 -8.534 -1.783 1.00 0.00 C ATOM 0 H ALA A 25 10.827 -9.096 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 25 13.324 -9.165 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.276 -8.594 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.933 -7.512 -2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.673 -8.820 -0.873 1.00 0.00 H new ATOM 367 N LYS A 26 12.452 -11.591 -1.783 1.00 0.00 N ATOM 368 CA LYS A 26 12.756 -12.964 -1.398 1.00 0.00 C ATOM 369 C LYS A 26 12.581 -13.912 -2.579 1.00 0.00 C ATOM 370 O LYS A 26 13.533 -14.561 -3.013 1.00 0.00 O ATOM 371 CB LYS A 26 11.854 -13.402 -0.241 1.00 0.00 C ATOM 372 CG LYS A 26 12.222 -14.757 0.337 1.00 0.00 C ATOM 373 CD LYS A 26 11.017 -15.443 0.960 1.00 0.00 C ATOM 374 CE LYS A 26 11.356 -16.851 1.425 1.00 0.00 C ATOM 375 NZ LYS A 26 11.516 -17.790 0.280 1.00 0.00 N ATOM 0 H LYS A 26 11.590 -11.222 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 26 13.796 -13.003 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.903 -12.654 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.821 -13.433 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.636 -15.389 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.001 -14.633 1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.659 -14.856 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.205 -15.484 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.277 -16.829 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.569 -17.215 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.628 -18.759 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.674 -17.742 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.357 -17.525 -0.271 1.00 0.00 H new ATOM 389 N PHE A 27 11.360 -13.986 -3.097 1.00 0.00 N ATOM 390 CA PHE A 27 11.061 -14.855 -4.230 1.00 0.00 C ATOM 391 C PHE A 27 11.585 -14.253 -5.530 1.00 0.00 C ATOM 392 O PHE A 27 11.893 -14.972 -6.480 1.00 0.00 O ATOM 393 CB PHE A 27 9.553 -15.091 -4.335 1.00 0.00 C ATOM 394 CG PHE A 27 8.983 -15.856 -3.175 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.481 -17.105 -2.841 1.00 0.00 C ATOM 396 CD2 PHE A 27 7.950 -15.326 -2.420 1.00 0.00 C ATOM 397 CE1 PHE A 27 8.958 -17.811 -1.774 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.423 -16.028 -1.352 1.00 0.00 C ATOM 399 CZ PHE A 27 7.928 -17.272 -1.028 1.00 0.00 C ATOM 0 H PHE A 27 10.561 -13.455 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 27 11.560 -15.810 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.047 -14.128 -4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.342 -15.633 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.286 -17.531 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.552 -14.353 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.355 -18.784 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.617 -15.604 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.519 -17.822 -0.194 1.00 0.00 H new ATOM 409 N GLY A 28 11.683 -12.927 -5.565 1.00 0.00 N ATOM 410 CA GLY A 28 12.170 -12.250 -6.752 1.00 0.00 C ATOM 411 C GLY A 28 11.051 -11.629 -7.564 1.00 0.00 C ATOM 412 O GLY A 28 10.083 -11.111 -7.006 1.00 0.00 O ATOM 0 H GLY A 28 11.434 -12.310 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.877 -11.474 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.715 -12.960 -7.374 1.00 0.00 H new ATOM 416 N ARG A 29 11.183 -11.678 -8.886 1.00 0.00 N ATOM 417 CA ARG A 29 10.176 -11.113 -9.776 1.00 0.00 C ATOM 418 C ARG A 29 9.053 -12.114 -10.032 1.00 0.00 C ATOM 419 O ARG A 29 8.462 -12.136 -11.112 1.00 0.00 O ATOM 420 CB ARG A 29 10.814 -10.695 -11.102 1.00 0.00 C ATOM 421 CG ARG A 29 11.363 -9.278 -11.095 1.00 0.00 C ATOM 422 CD ARG A 29 10.311 -8.271 -11.535 1.00 0.00 C ATOM 423 NE ARG A 29 10.328 -8.058 -12.979 1.00 0.00 N ATOM 424 CZ ARG A 29 11.268 -7.361 -13.608 1.00 0.00 C ATOM 425 NH1 ARG A 29 12.262 -6.814 -12.923 1.00 0.00 N ATOM 426 NH2 ARG A 29 11.215 -7.211 -14.926 1.00 0.00 N ATOM 0 H ARG A 29 11.977 -12.103 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 29 9.751 -10.234 -9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.622 -11.387 -11.341 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.073 -10.784 -11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.712 -9.027 -10.094 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.226 -9.218 -11.758 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.324 -8.622 -11.232 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.482 -7.322 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 29 9.577 -8.467 -13.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.307 -6.928 -11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.982 -6.279 -13.408 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.452 -7.631 -15.457 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.937 -6.676 -15.408 1.00 0.00 H new ATOM 440 N ARG A 30 8.765 -12.941 -9.033 1.00 0.00 N ATOM 441 CA ARG A 30 7.715 -13.945 -9.150 1.00 0.00 C ATOM 442 C ARG A 30 6.374 -13.386 -8.685 1.00 0.00 C ATOM 443 O ARG A 30 6.212 -13.022 -7.520 1.00 0.00 O ATOM 444 CB ARG A 30 8.074 -15.187 -8.332 1.00 0.00 C ATOM 445 CG ARG A 30 9.207 -16.005 -8.931 1.00 0.00 C ATOM 446 CD ARG A 30 8.792 -16.656 -10.241 1.00 0.00 C ATOM 447 NE ARG A 30 7.697 -17.605 -10.058 1.00 0.00 N ATOM 448 CZ ARG A 30 7.308 -18.467 -10.991 1.00 0.00 C ATOM 449 NH1 ARG A 30 7.922 -18.499 -12.166 1.00 0.00 N ATOM 450 NH2 ARG A 30 6.303 -19.299 -10.750 1.00 0.00 N ATOM 0 H ARG A 30 9.245 -12.936 -8.133 1.00 0.00 H new ATOM 0 HA ARG A 30 7.628 -14.223 -10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.353 -14.880 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.191 -15.819 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.071 -15.362 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.516 -16.774 -8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.489 -15.885 -10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.648 -17.170 -10.677 1.00 0.00 H new ATOM 0 HE ARG A 30 7.204 -17.606 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.695 -17.861 -12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.621 -19.162 -12.881 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.828 -19.277 -9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.005 -19.960 -11.467 1.00 0.00 H new ATOM 464 N TRP A 31 5.416 -13.322 -9.603 1.00 0.00 N ATOM 465 CA TRP A 31 4.088 -12.806 -9.286 1.00 0.00 C ATOM 466 C TRP A 31 3.215 -13.894 -8.670 1.00 0.00 C ATOM 467 O TRP A 31 2.476 -13.645 -7.717 1.00 0.00 O ATOM 468 CB TRP A 31 3.421 -12.252 -10.546 1.00 0.00 C ATOM 469 CG TRP A 31 4.333 -11.401 -11.376 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.543 -11.497 -12.722 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.160 -10.327 -10.914 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.451 -10.547 -13.125 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.843 -9.816 -12.035 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.387 -9.746 -9.664 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.738 -8.754 -11.940 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.276 -8.692 -9.571 1.00 0.00 C ATOM 477 CH2 TRP A 31 6.942 -8.204 -10.703 1.00 0.00 C ATOM 0 H TRP A 31 5.533 -13.620 -10.571 1.00 0.00 H new ATOM 0 HA TRP A 31 4.201 -12.002 -8.559 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.060 -13.083 -11.152 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.549 -11.664 -10.258 1.00 0.00 H new ATOM 0 HD1 TRP A 31 4.066 -12.214 -13.374 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.780 -10.409 -14.081 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.877 -10.114 -8.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.253 -8.377 -12.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.461 -8.237 -8.609 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.630 -7.378 -10.598 1.00 0.00 H new ATOM 488 N THR A 32 3.304 -15.101 -9.219 1.00 0.00 N ATOM 489 CA THR A 32 2.522 -16.226 -8.724 1.00 0.00 C ATOM 490 C THR A 32 2.816 -16.495 -7.253 1.00 0.00 C ATOM 491 O THR A 32 1.908 -16.758 -6.465 1.00 0.00 O ATOM 492 CB THR A 32 2.802 -17.506 -9.534 1.00 0.00 C ATOM 493 OG1 THR A 32 2.683 -17.234 -10.935 1.00 0.00 O ATOM 494 CG2 THR A 32 1.836 -18.615 -9.145 1.00 0.00 C ATOM 0 H THR A 32 3.911 -15.324 -10.008 1.00 0.00 H new ATOM 0 HA THR A 32 1.472 -15.955 -8.839 1.00 0.00 H new ATOM 0 HB THR A 32 3.817 -17.835 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.864 -18.052 -11.444 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.053 -19.509 -9.730 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.948 -18.840 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.814 -18.292 -9.341 1.00 0.00 H new ATOM 502 N LYS A 33 4.092 -16.428 -6.888 1.00 0.00 N ATOM 503 CA LYS A 33 4.508 -16.662 -5.510 1.00 0.00 C ATOM 504 C LYS A 33 4.030 -15.537 -4.598 1.00 0.00 C ATOM 505 O LYS A 33 3.328 -15.777 -3.616 1.00 0.00 O ATOM 506 CB LYS A 33 6.031 -16.787 -5.429 1.00 0.00 C ATOM 507 CG LYS A 33 6.593 -17.928 -6.259 1.00 0.00 C ATOM 508 CD LYS A 33 7.958 -18.364 -5.754 1.00 0.00 C ATOM 509 CE LYS A 33 8.366 -19.707 -6.340 1.00 0.00 C ATOM 510 NZ LYS A 33 8.935 -19.566 -7.709 1.00 0.00 N ATOM 0 H LYS A 33 4.857 -16.213 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 33 4.055 -17.595 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.482 -15.852 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.321 -16.929 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.906 -18.774 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.672 -17.617 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.701 -17.611 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.940 -18.431 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.101 -20.179 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.499 -20.367 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.399 -20.455 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.172 -19.350 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.633 -18.795 -7.717 1.00 0.00 H new ATOM 524 N ILE A 34 4.413 -14.309 -4.931 1.00 0.00 N ATOM 525 CA ILE A 34 4.021 -13.147 -4.144 1.00 0.00 C ATOM 526 C ILE A 34 2.513 -13.115 -3.924 1.00 0.00 C ATOM 527 O ILE A 34 2.041 -13.075 -2.788 1.00 0.00 O ATOM 528 CB ILE A 34 4.458 -11.834 -4.821 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.979 -11.801 -4.985 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.981 -10.637 -4.013 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.458 -10.756 -5.969 1.00 0.00 C ATOM 0 H ILE A 34 4.995 -14.093 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 34 4.524 -13.234 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 34 4.003 -11.784 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.437 -11.611 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.322 -12.782 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.298 -9.717 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.893 -10.655 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.410 -10.680 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.545 -10.790 -6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.029 -10.957 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.145 -9.768 -5.631 1.00 0.00 H new ATOM 543 N SER A 35 1.760 -13.135 -5.019 1.00 0.00 N ATOM 544 CA SER A 35 0.304 -13.107 -4.947 1.00 0.00 C ATOM 545 C SER A 35 -0.198 -13.946 -3.776 1.00 0.00 C ATOM 546 O SER A 35 -1.091 -13.531 -3.037 1.00 0.00 O ATOM 547 CB SER A 35 -0.303 -13.620 -6.255 1.00 0.00 C ATOM 548 OG SER A 35 -0.141 -15.023 -6.376 1.00 0.00 O ATOM 0 H SER A 35 2.134 -13.171 -5.967 1.00 0.00 H new ATOM 0 HA SER A 35 -0.008 -12.074 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.363 -13.369 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.172 -13.122 -7.100 1.00 0.00 H new ATOM 0 HG SER A 35 0.801 -15.257 -6.238 1.00 0.00 H new ATOM 554 N LYS A 36 0.382 -15.130 -3.613 1.00 0.00 N ATOM 555 CA LYS A 36 -0.003 -16.030 -2.533 1.00 0.00 C ATOM 556 C LYS A 36 0.329 -15.422 -1.174 1.00 0.00 C ATOM 557 O LYS A 36 -0.512 -15.387 -0.275 1.00 0.00 O ATOM 558 CB LYS A 36 0.704 -17.378 -2.687 1.00 0.00 C ATOM 559 CG LYS A 36 0.409 -18.352 -1.559 1.00 0.00 C ATOM 560 CD LYS A 36 0.506 -19.794 -2.028 1.00 0.00 C ATOM 561 CE LYS A 36 0.106 -20.766 -0.928 1.00 0.00 C ATOM 562 NZ LYS A 36 0.008 -22.164 -1.432 1.00 0.00 N ATOM 0 H LYS A 36 1.122 -15.489 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.081 -16.184 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.405 -17.829 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.780 -17.211 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.110 -18.186 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.590 -18.163 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.138 -19.940 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.526 -20.006 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.837 -20.721 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.853 -20.464 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.267 -22.796 -0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.707 -22.212 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.930 -22.462 -1.811 1.00 0.00 H new ATOM 576 N LEU A 37 1.560 -14.943 -1.030 1.00 0.00 N ATOM 577 CA LEU A 37 2.004 -14.334 0.219 1.00 0.00 C ATOM 578 C LEU A 37 0.959 -13.359 0.750 1.00 0.00 C ATOM 579 O LEU A 37 0.669 -13.335 1.947 1.00 0.00 O ATOM 580 CB LEU A 37 3.335 -13.611 0.012 1.00 0.00 C ATOM 581 CG LEU A 37 4.003 -13.059 1.272 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.770 -14.156 1.994 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.926 -11.901 0.924 1.00 0.00 C ATOM 0 H LEU A 37 2.269 -14.965 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 37 2.140 -15.128 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.028 -14.300 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.173 -12.785 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 37 3.225 -12.688 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.239 -13.744 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.083 -14.953 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.539 -14.558 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.392 -11.521 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.699 -12.245 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.349 -11.105 0.452 1.00 0.00 H new ATOM 595 N ILE A 38 0.395 -12.557 -0.147 1.00 0.00 N ATOM 596 CA ILE A 38 -0.620 -11.582 0.232 1.00 0.00 C ATOM 597 C ILE A 38 -1.993 -12.236 0.352 1.00 0.00 C ATOM 598 O ILE A 38 -2.740 -11.966 1.291 1.00 0.00 O ATOM 599 CB ILE A 38 -0.701 -10.429 -0.786 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.638 -9.693 -0.863 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.819 -9.468 -0.411 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.714 -8.694 -1.996 1.00 0.00 C ATOM 0 H ILE A 38 0.624 -12.563 -1.141 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.325 -11.180 1.201 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.922 -10.846 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.813 -9.175 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.439 -10.423 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.863 -8.659 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.770 -10.001 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.626 -9.054 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.691 -8.210 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.571 -9.209 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.064 -7.941 -1.870 1.00 0.00 H new ATOM 614 N GLY A 39 -2.317 -13.100 -0.606 1.00 0.00 N ATOM 615 CA GLY A 39 -3.598 -13.781 -0.588 1.00 0.00 C ATOM 616 C GLY A 39 -4.738 -12.883 -1.026 1.00 0.00 C ATOM 617 O GLY A 39 -5.563 -13.273 -1.852 1.00 0.00 O ATOM 0 H GLY A 39 -1.715 -13.340 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.553 -14.651 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.796 -14.150 0.418 1.00 0.00 H new ATOM 621 N SER A 40 -4.786 -11.676 -0.470 1.00 0.00 N ATOM 622 CA SER A 40 -5.837 -10.722 -0.804 1.00 0.00 C ATOM 623 C SER A 40 -5.859 -10.440 -2.303 1.00 0.00 C ATOM 624 O SER A 40 -6.916 -10.458 -2.934 1.00 0.00 O ATOM 625 CB SER A 40 -5.634 -9.417 -0.032 1.00 0.00 C ATOM 626 OG SER A 40 -6.010 -9.565 1.327 1.00 0.00 O ATOM 0 H SER A 40 -4.109 -11.336 0.213 1.00 0.00 H new ATOM 0 HA SER A 40 -6.794 -11.160 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.589 -9.114 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.223 -8.623 -0.491 1.00 0.00 H new ATOM 0 HG SER A 40 -5.869 -8.718 1.799 1.00 0.00 H new ATOM 632 N ARG A 41 -4.683 -10.181 -2.867 1.00 0.00 N ATOM 633 CA ARG A 41 -4.566 -9.895 -4.292 1.00 0.00 C ATOM 634 C ARG A 41 -4.457 -11.185 -5.099 1.00 0.00 C ATOM 635 O ARG A 41 -4.457 -12.282 -4.540 1.00 0.00 O ATOM 636 CB ARG A 41 -3.347 -9.010 -4.557 1.00 0.00 C ATOM 637 CG ARG A 41 -3.373 -7.693 -3.798 1.00 0.00 C ATOM 638 CD ARG A 41 -4.085 -6.607 -4.589 1.00 0.00 C ATOM 639 NE ARG A 41 -4.723 -5.624 -3.717 1.00 0.00 N ATOM 640 CZ ARG A 41 -5.767 -5.896 -2.942 1.00 0.00 C ATOM 641 NH1 ARG A 41 -6.288 -7.115 -2.931 1.00 0.00 N ATOM 642 NH2 ARG A 41 -6.292 -4.948 -2.177 1.00 0.00 N ATOM 0 H ARG A 41 -3.799 -10.163 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.466 -9.366 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.445 -9.558 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.285 -8.803 -5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.873 -7.834 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.353 -7.377 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.369 -6.104 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.837 -7.062 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.346 -4.676 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.887 -7.846 -3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.090 -7.322 -2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.894 -4.009 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.094 -5.158 -1.582 1.00 0.00 H new ATOM 656 N THR A 42 -4.364 -11.046 -6.418 1.00 0.00 N ATOM 657 CA THR A 42 -4.255 -12.200 -7.302 1.00 0.00 C ATOM 658 C THR A 42 -3.124 -12.018 -8.307 1.00 0.00 C ATOM 659 O THR A 42 -2.765 -10.893 -8.656 1.00 0.00 O ATOM 660 CB THR A 42 -5.570 -12.448 -8.065 1.00 0.00 C ATOM 661 OG1 THR A 42 -5.880 -11.317 -8.887 1.00 0.00 O ATOM 662 CG2 THR A 42 -6.716 -12.708 -7.099 1.00 0.00 C ATOM 0 H THR A 42 -4.362 -10.146 -6.897 1.00 0.00 H new ATOM 0 HA THR A 42 -4.041 -13.063 -6.671 1.00 0.00 H new ATOM 0 HB THR A 42 -5.439 -13.329 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.716 -11.483 -9.370 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.634 -12.880 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.490 -13.587 -6.495 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.846 -11.844 -6.448 1.00 0.00 H new ATOM 670 N VAL A 43 -2.565 -13.131 -8.771 1.00 0.00 N ATOM 671 CA VAL A 43 -1.475 -13.094 -9.739 1.00 0.00 C ATOM 672 C VAL A 43 -1.686 -11.984 -10.762 1.00 0.00 C ATOM 673 O VAL A 43 -0.751 -11.265 -11.116 1.00 0.00 O ATOM 674 CB VAL A 43 -1.335 -14.438 -10.478 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.266 -14.346 -11.556 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.017 -15.555 -9.495 1.00 0.00 C ATOM 0 H VAL A 43 -2.849 -14.070 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.561 -12.899 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.285 -14.668 -10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.181 -15.305 -12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.540 -13.574 -12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.691 -14.093 -11.099 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.921 -16.498 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.081 -15.333 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.821 -15.635 -8.763 1.00 0.00 H new ATOM 686 N LEU A 44 -2.920 -11.848 -11.234 1.00 0.00 N ATOM 687 CA LEU A 44 -3.255 -10.824 -12.217 1.00 0.00 C ATOM 688 C LEU A 44 -3.084 -9.428 -11.628 1.00 0.00 C ATOM 689 O LEU A 44 -2.245 -8.651 -12.083 1.00 0.00 O ATOM 690 CB LEU A 44 -4.692 -11.011 -12.708 1.00 0.00 C ATOM 691 CG LEU A 44 -5.054 -12.410 -13.208 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.539 -12.495 -13.526 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.223 -12.770 -14.431 1.00 0.00 C ATOM 0 H LEU A 44 -3.706 -12.434 -10.952 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.573 -10.928 -13.061 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.369 -10.751 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.875 -10.300 -13.514 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.831 -13.127 -12.418 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.778 -13.498 -13.880 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.117 -12.280 -12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.788 -11.768 -14.299 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.494 -13.769 -14.774 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.415 -12.049 -15.226 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.165 -12.750 -14.171 1.00 0.00 H new ATOM 705 N GLN A 45 -3.884 -9.117 -10.613 1.00 0.00 N ATOM 706 CA GLN A 45 -3.820 -7.814 -9.962 1.00 0.00 C ATOM 707 C GLN A 45 -2.376 -7.431 -9.652 1.00 0.00 C ATOM 708 O GLN A 45 -1.948 -6.311 -9.929 1.00 0.00 O ATOM 709 CB GLN A 45 -4.645 -7.823 -8.674 1.00 0.00 C ATOM 710 CG GLN A 45 -6.106 -7.461 -8.885 1.00 0.00 C ATOM 711 CD GLN A 45 -6.961 -7.752 -7.667 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.649 -8.640 -6.873 1.00 0.00 O ATOM 713 NE2 GLN A 45 -8.048 -7.004 -7.514 1.00 0.00 N ATOM 0 H GLN A 45 -4.584 -9.749 -10.224 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.235 -7.073 -10.646 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.586 -8.813 -8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.204 -7.122 -7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.182 -6.402 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.495 -8.017 -9.738 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.268 -6.279 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.662 -7.155 -6.714 1.00 0.00 H new ATOM 722 N VAL A 46 -1.631 -8.369 -9.076 1.00 0.00 N ATOM 723 CA VAL A 46 -0.235 -8.130 -8.729 1.00 0.00 C ATOM 724 C VAL A 46 0.597 -7.834 -9.972 1.00 0.00 C ATOM 725 O VAL A 46 1.249 -6.793 -10.063 1.00 0.00 O ATOM 726 CB VAL A 46 0.375 -9.337 -7.993 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.836 -9.077 -7.659 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.421 -9.651 -6.734 1.00 0.00 C ATOM 0 H VAL A 46 -1.971 -9.301 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.217 -7.264 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 46 0.327 -10.204 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.250 -9.941 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.395 -8.905 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.912 -8.198 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.024 -10.507 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.407 -8.787 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.451 -9.884 -7.004 1.00 0.00 H new ATOM 738 N LYS A 47 0.570 -8.755 -10.929 1.00 0.00 N ATOM 739 CA LYS A 47 1.320 -8.594 -12.169 1.00 0.00 C ATOM 740 C LYS A 47 1.366 -7.129 -12.590 1.00 0.00 C ATOM 741 O LYS A 47 2.440 -6.535 -12.689 1.00 0.00 O ATOM 742 CB LYS A 47 0.692 -9.436 -13.282 1.00 0.00 C ATOM 743 CG LYS A 47 1.240 -10.851 -13.356 1.00 0.00 C ATOM 744 CD LYS A 47 0.353 -11.748 -14.204 1.00 0.00 C ATOM 745 CE LYS A 47 0.601 -11.534 -15.689 1.00 0.00 C ATOM 746 NZ LYS A 47 -0.244 -10.438 -16.240 1.00 0.00 N ATOM 0 H LYS A 47 0.036 -9.622 -10.870 1.00 0.00 H new ATOM 0 HA LYS A 47 2.340 -8.936 -11.995 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.386 -9.480 -13.128 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.858 -8.941 -14.239 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.246 -10.831 -13.775 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.322 -11.264 -12.351 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.540 -12.791 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.694 -11.547 -13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.653 -11.298 -15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.394 -12.458 -16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.841 -10.811 -17.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.848 -10.053 -15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.366 -9.683 -16.613 1.00 0.00 H new ATOM 760 N SER A 48 0.194 -6.551 -12.834 1.00 0.00 N ATOM 761 CA SER A 48 0.101 -5.155 -13.247 1.00 0.00 C ATOM 762 C SER A 48 0.680 -4.233 -12.178 1.00 0.00 C ATOM 763 O SER A 48 1.554 -3.411 -12.458 1.00 0.00 O ATOM 764 CB SER A 48 -1.355 -4.780 -13.526 1.00 0.00 C ATOM 765 OG SER A 48 -1.527 -3.373 -13.533 1.00 0.00 O ATOM 0 H SER A 48 -0.704 -7.028 -12.753 1.00 0.00 H new ATOM 0 HA SER A 48 0.682 -5.032 -14.161 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.662 -5.192 -14.487 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.000 -5.225 -12.768 1.00 0.00 H new ATOM 0 HG SER A 48 -2.466 -3.159 -13.715 1.00 0.00 H new ATOM 771 N TYR A 49 0.188 -4.376 -10.953 1.00 0.00 N ATOM 772 CA TYR A 49 0.653 -3.555 -9.842 1.00 0.00 C ATOM 773 C TYR A 49 2.172 -3.410 -9.870 1.00 0.00 C ATOM 774 O TYR A 49 2.701 -2.299 -9.852 1.00 0.00 O ATOM 775 CB TYR A 49 0.213 -4.165 -8.510 1.00 0.00 C ATOM 776 CG TYR A 49 1.092 -3.772 -7.344 1.00 0.00 C ATOM 777 CD1 TYR A 49 2.260 -4.471 -7.063 1.00 0.00 C ATOM 778 CD2 TYR A 49 0.755 -2.702 -6.524 1.00 0.00 C ATOM 779 CE1 TYR A 49 3.065 -4.116 -5.998 1.00 0.00 C ATOM 780 CE2 TYR A 49 1.556 -2.340 -5.458 1.00 0.00 C ATOM 781 CZ TYR A 49 2.710 -3.050 -5.199 1.00 0.00 C ATOM 782 OH TYR A 49 3.510 -2.693 -4.138 1.00 0.00 O ATOM 0 H TYR A 49 -0.533 -5.053 -10.704 1.00 0.00 H new ATOM 0 HA TYR A 49 0.209 -2.565 -9.945 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.812 -3.859 -8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.209 -5.251 -8.601 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.543 -5.305 -7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.148 -2.144 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.968 -4.671 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.280 -1.505 -4.831 1.00 0.00 H new ATOM 0 HH TYR A 49 4.180 -3.391 -3.984 1.00 0.00 H new ATOM 792 N ALA A 50 2.867 -4.542 -9.915 1.00 0.00 N ATOM 793 CA ALA A 50 4.324 -4.543 -9.949 1.00 0.00 C ATOM 794 C ALA A 50 4.854 -3.404 -10.814 1.00 0.00 C ATOM 795 O ALA A 50 5.899 -2.823 -10.520 1.00 0.00 O ATOM 796 CB ALA A 50 4.839 -5.880 -10.460 1.00 0.00 C ATOM 0 H ALA A 50 2.444 -5.470 -9.929 1.00 0.00 H new ATOM 0 HA ALA A 50 4.687 -4.391 -8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.929 -5.867 -10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.498 -6.678 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.460 -6.055 -11.467 1.00 0.00 H new ATOM 802 N ARG A 51 4.127 -3.091 -11.882 1.00 0.00 N ATOM 803 CA ARG A 51 4.526 -2.023 -12.791 1.00 0.00 C ATOM 804 C ARG A 51 4.079 -0.663 -12.260 1.00 0.00 C ATOM 805 O ARG A 51 4.793 0.330 -12.396 1.00 0.00 O ATOM 806 CB ARG A 51 3.933 -2.259 -14.181 1.00 0.00 C ATOM 807 CG ARG A 51 3.709 -0.982 -14.973 1.00 0.00 C ATOM 808 CD ARG A 51 3.096 -1.270 -16.334 1.00 0.00 C ATOM 809 NE ARG A 51 2.926 -0.055 -17.127 1.00 0.00 N ATOM 810 CZ ARG A 51 2.478 -0.050 -18.377 1.00 0.00 C ATOM 811 NH1 ARG A 51 2.156 -1.190 -18.974 1.00 0.00 N ATOM 812 NH2 ARG A 51 2.350 1.096 -19.033 1.00 0.00 N ATOM 0 H ARG A 51 3.259 -3.562 -12.139 1.00 0.00 H new ATOM 0 HA ARG A 51 5.614 -2.028 -12.862 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.598 -2.914 -14.744 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.983 -2.783 -14.077 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.055 -0.315 -14.412 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.658 -0.462 -15.103 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.731 -1.971 -16.876 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.128 -1.754 -16.201 1.00 0.00 H new ATOM 0 HE ARG A 51 3.165 0.839 -16.697 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.252 -2.073 -18.473 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.812 -1.183 -19.934 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.596 1.975 -18.577 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.006 1.098 -19.993 1.00 0.00 H new ATOM 826 N GLN A 52 2.896 -0.628 -11.657 1.00 0.00 N ATOM 827 CA GLN A 52 2.354 0.609 -11.108 1.00 0.00 C ATOM 828 C GLN A 52 3.263 1.163 -10.016 1.00 0.00 C ATOM 829 O GLN A 52 3.507 2.368 -9.949 1.00 0.00 O ATOM 830 CB GLN A 52 0.950 0.373 -10.549 1.00 0.00 C ATOM 831 CG GLN A 52 0.058 1.602 -10.607 1.00 0.00 C ATOM 832 CD GLN A 52 -1.017 1.594 -9.538 1.00 0.00 C ATOM 833 OE1 GLN A 52 -1.024 0.735 -8.656 1.00 0.00 O ATOM 834 NE2 GLN A 52 -1.933 2.553 -9.612 1.00 0.00 N ATOM 0 H GLN A 52 2.294 -1.442 -11.536 1.00 0.00 H new ATOM 0 HA GLN A 52 2.297 1.340 -11.914 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.477 -0.436 -11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.031 0.042 -9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.671 2.496 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.412 1.659 -11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.888 3.244 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.681 2.598 -8.920 1.00 0.00 H new ATOM 843 N TYR A 53 3.761 0.276 -9.162 1.00 0.00 N ATOM 844 CA TYR A 53 4.641 0.677 -8.070 1.00 0.00 C ATOM 845 C TYR A 53 5.809 1.510 -8.590 1.00 0.00 C ATOM 846 O TYR A 53 5.971 2.672 -8.219 1.00 0.00 O ATOM 847 CB TYR A 53 5.167 -0.556 -7.333 1.00 0.00 C ATOM 848 CG TYR A 53 6.000 -0.223 -6.115 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.537 0.669 -5.156 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.249 -0.800 -5.924 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.294 0.976 -4.042 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.012 -0.500 -4.813 1.00 0.00 C ATOM 853 CZ TYR A 53 7.531 0.389 -3.875 1.00 0.00 C ATOM 854 OH TYR A 53 8.289 0.692 -2.767 1.00 0.00 O ATOM 0 H TYR A 53 3.571 -0.725 -9.204 1.00 0.00 H new ATOM 0 HA TYR A 53 4.063 1.288 -7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.323 -1.174 -7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.766 -1.152 -8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.569 1.130 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.630 -1.495 -6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.919 1.672 -3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.980 -0.959 -4.679 1.00 0.00 H new ATOM 0 HH TYR A 53 9.132 0.193 -2.801 1.00 0.00 H new ATOM 864 N PHE A 54 6.621 0.906 -9.451 1.00 0.00 N ATOM 865 CA PHE A 54 7.775 1.590 -10.022 1.00 0.00 C ATOM 866 C PHE A 54 7.395 2.987 -10.504 1.00 0.00 C ATOM 867 O PHE A 54 8.142 3.948 -10.310 1.00 0.00 O ATOM 868 CB PHE A 54 8.353 0.778 -11.183 1.00 0.00 C ATOM 869 CG PHE A 54 8.939 -0.539 -10.761 1.00 0.00 C ATOM 870 CD1 PHE A 54 9.989 -0.587 -9.858 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.441 -1.728 -11.267 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.530 -1.797 -9.466 1.00 0.00 C ATOM 873 CE2 PHE A 54 8.978 -2.941 -10.879 1.00 0.00 C ATOM 874 CZ PHE A 54 10.025 -2.975 -9.979 1.00 0.00 C ATOM 0 H PHE A 54 6.501 -0.056 -9.769 1.00 0.00 H new ATOM 0 HA PHE A 54 8.531 1.686 -9.243 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.567 0.598 -11.917 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.124 1.367 -11.679 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.389 0.332 -9.456 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.624 -1.707 -11.973 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.347 -1.821 -8.759 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.579 -3.861 -11.279 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.448 -3.922 -9.677 1.00 0.00 H new ATOM 884 N LYS A 55 6.230 3.094 -11.132 1.00 0.00 N ATOM 885 CA LYS A 55 5.748 4.372 -11.642 1.00 0.00 C ATOM 886 C LYS A 55 5.502 5.355 -10.501 1.00 0.00 C ATOM 887 O LYS A 55 5.652 6.564 -10.668 1.00 0.00 O ATOM 888 CB LYS A 55 4.460 4.173 -12.444 1.00 0.00 C ATOM 889 CG LYS A 55 4.698 3.914 -13.922 1.00 0.00 C ATOM 890 CD LYS A 55 3.498 4.323 -14.759 1.00 0.00 C ATOM 891 CE LYS A 55 3.522 3.659 -16.128 1.00 0.00 C ATOM 892 NZ LYS A 55 4.415 4.377 -17.078 1.00 0.00 N ATOM 0 H LYS A 55 5.600 2.309 -11.301 1.00 0.00 H new ATOM 0 HA LYS A 55 6.515 4.786 -12.296 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.905 3.336 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.834 5.058 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.578 4.466 -14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.908 2.856 -14.078 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.580 4.052 -14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.489 5.406 -14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.857 2.627 -16.025 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.511 3.627 -16.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.403 3.893 -17.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.081 5.355 -17.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.385 4.385 -16.704 1.00 0.00 H new ATOM 906 N ASN A 56 5.125 4.826 -9.342 1.00 0.00 N ATOM 907 CA ASN A 56 4.859 5.656 -8.173 1.00 0.00 C ATOM 908 C ASN A 56 6.150 5.968 -7.422 1.00 0.00 C ATOM 909 O ASN A 56 6.244 6.972 -6.715 1.00 0.00 O ATOM 910 CB ASN A 56 3.869 4.957 -7.239 1.00 0.00 C ATOM 911 CG ASN A 56 3.439 5.843 -6.085 1.00 0.00 C ATOM 912 OD1 ASN A 56 3.715 7.042 -6.073 1.00 0.00 O ATOM 913 ND2 ASN A 56 2.759 5.253 -5.109 1.00 0.00 N ATOM 0 H ASN A 56 4.997 3.826 -9.187 1.00 0.00 H new ATOM 0 HA ASN A 56 4.423 6.594 -8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.990 4.653 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.324 4.048 -6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.443 5.797 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.553 4.255 -5.162 1.00 0.00 H new ATOM 920 N LYS A 57 7.145 5.101 -7.581 1.00 0.00 N ATOM 921 CA LYS A 57 8.432 5.283 -6.921 1.00 0.00 C ATOM 922 C LYS A 57 8.925 6.718 -7.075 1.00 0.00 C ATOM 923 O LYS A 57 8.323 7.518 -7.792 1.00 0.00 O ATOM 924 CB LYS A 57 9.465 4.313 -7.497 1.00 0.00 C ATOM 925 CG LYS A 57 9.187 2.858 -7.162 1.00 0.00 C ATOM 926 CD LYS A 57 9.496 2.552 -5.706 1.00 0.00 C ATOM 927 CE LYS A 57 10.939 2.106 -5.524 1.00 0.00 C ATOM 928 NZ LYS A 57 11.348 2.122 -4.092 1.00 0.00 N ATOM 0 H LYS A 57 7.084 4.265 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 57 8.300 5.075 -5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.495 4.428 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.452 4.581 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.141 2.629 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.787 2.215 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.309 3.438 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.825 1.772 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.062 1.100 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.596 2.760 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.337 1.812 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.255 3.087 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.737 1.478 -3.549 1.00 0.00 H new ATOM 942 N VAL A 58 10.024 7.038 -6.400 1.00 0.00 N ATOM 943 CA VAL A 58 10.599 8.377 -6.464 1.00 0.00 C ATOM 944 C VAL A 58 9.510 9.443 -6.460 1.00 0.00 C ATOM 945 O VAL A 58 9.694 10.537 -6.994 1.00 0.00 O ATOM 946 CB VAL A 58 11.470 8.553 -7.722 1.00 0.00 C ATOM 947 CG1 VAL A 58 10.618 8.464 -8.979 1.00 0.00 C ATOM 948 CG2 VAL A 58 12.220 9.875 -7.669 1.00 0.00 C ATOM 0 H VAL A 58 10.535 6.388 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 58 11.223 8.497 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 58 12.203 7.746 -7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.251 8.591 -9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.131 7.490 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.861 9.248 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.831 9.983 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 58 11.506 10.697 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.862 9.894 -6.788 1.00 0.00 H new ATOM 958 N LYS A 59 8.373 9.118 -5.854 1.00 0.00 N ATOM 959 CA LYS A 59 7.253 10.048 -5.778 1.00 0.00 C ATOM 960 C LYS A 59 7.739 11.463 -5.480 1.00 0.00 C ATOM 961 O LYS A 59 8.869 11.659 -5.030 1.00 0.00 O ATOM 962 CB LYS A 59 6.264 9.600 -4.699 1.00 0.00 C ATOM 963 CG LYS A 59 6.873 9.521 -3.310 1.00 0.00 C ATOM 964 CD LYS A 59 6.756 10.845 -2.573 1.00 0.00 C ATOM 965 CE LYS A 59 7.837 10.992 -1.514 1.00 0.00 C ATOM 966 NZ LYS A 59 9.196 11.076 -2.118 1.00 0.00 N ATOM 0 H LYS A 59 8.203 8.217 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 59 6.750 10.052 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.423 10.293 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.865 8.622 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.374 8.739 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.923 9.238 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.829 11.667 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.774 10.916 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.646 11.887 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.795 10.143 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.738 11.831 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.688 10.168 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.112 11.288 -3.133 1.00 0.00 H new ATOM 980 N CYS A 60 6.881 12.444 -5.732 1.00 0.00 N ATOM 981 CA CYS A 60 7.223 13.841 -5.490 1.00 0.00 C ATOM 982 C CYS A 60 8.580 14.181 -6.099 1.00 0.00 C ATOM 983 O CYS A 60 9.410 14.833 -5.467 1.00 0.00 O ATOM 984 CB CYS A 60 7.237 14.132 -3.989 1.00 0.00 C ATOM 985 SG CYS A 60 5.601 14.122 -3.220 1.00 0.00 S ATOM 0 H CYS A 60 5.943 12.298 -6.104 1.00 0.00 H new ATOM 0 HA CYS A 60 6.465 14.463 -5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.865 13.392 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.699 15.105 -3.823 1.00 0.00 H new ATOM 0 HG CYS A 60 5.717 14.376 -1.950 1.00 0.00 H new ATOM 991 N GLY A 61 8.799 13.734 -7.332 1.00 0.00 N ATOM 992 CA GLY A 61 10.057 13.999 -8.005 1.00 0.00 C ATOM 993 C GLY A 61 10.275 15.476 -8.265 1.00 0.00 C ATOM 994 O GLY A 61 10.752 16.204 -7.393 1.00 0.00 O ATOM 0 H GLY A 61 8.127 13.193 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.878 13.615 -7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.080 13.459 -8.952 1.00 0.00 H new ATOM 998 N LEU A 62 9.927 15.921 -9.467 1.00 0.00 N ATOM 999 CA LEU A 62 10.089 17.322 -9.841 1.00 0.00 C ATOM 1000 C LEU A 62 8.913 18.157 -9.346 1.00 0.00 C ATOM 1001 O LEU A 62 8.403 19.017 -10.064 1.00 0.00 O ATOM 1002 CB LEU A 62 10.219 17.454 -11.359 1.00 0.00 C ATOM 1003 CG LEU A 62 11.515 16.920 -11.971 1.00 0.00 C ATOM 1004 CD1 LEU A 62 11.382 16.798 -13.481 1.00 0.00 C ATOM 1005 CD2 LEU A 62 12.686 17.822 -11.608 1.00 0.00 C ATOM 0 H LEU A 62 9.531 15.332 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 62 10.999 17.695 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.381 16.933 -11.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.124 18.508 -11.621 1.00 0.00 H new ATOM 0 HG LEU A 62 11.706 15.927 -11.563 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.314 16.417 -13.899 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.569 16.112 -13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.167 17.778 -13.908 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.600 17.428 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.503 18.827 -11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.795 17.858 -10.524 1.00 0.00 H new ATOM 1017 N ASP A 63 8.488 17.900 -8.114 1.00 0.00 N ATOM 1018 CA ASP A 63 7.374 18.630 -7.520 1.00 0.00 C ATOM 1019 C ASP A 63 6.123 18.510 -8.386 1.00 0.00 C ATOM 1020 O ASP A 63 5.387 19.479 -8.570 1.00 0.00 O ATOM 1021 CB ASP A 63 7.742 20.103 -7.336 1.00 0.00 C ATOM 1022 CG ASP A 63 6.979 20.752 -6.199 1.00 0.00 C ATOM 1023 OD1 ASP A 63 5.736 20.837 -6.290 1.00 0.00 O ATOM 1024 OD2 ASP A 63 7.624 21.175 -5.217 1.00 0.00 O ATOM 0 H ASP A 63 8.899 17.191 -7.507 1.00 0.00 H new ATOM 0 HA ASP A 63 7.163 18.192 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.812 20.186 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.540 20.643 -8.261 1.00 0.00 H new ATOM 1029 N LYS A 64 5.890 17.314 -8.916 1.00 0.00 N ATOM 1030 CA LYS A 64 4.729 17.065 -9.762 1.00 0.00 C ATOM 1031 C LYS A 64 3.504 16.725 -8.919 1.00 0.00 C ATOM 1032 O LYS A 64 2.483 17.407 -8.989 1.00 0.00 O ATOM 1033 CB LYS A 64 5.020 15.926 -10.741 1.00 0.00 C ATOM 1034 CG LYS A 64 5.798 16.363 -11.970 1.00 0.00 C ATOM 1035 CD LYS A 64 4.927 17.158 -12.928 1.00 0.00 C ATOM 1036 CE LYS A 64 4.000 16.251 -13.722 1.00 0.00 C ATOM 1037 NZ LYS A 64 2.756 15.932 -12.967 1.00 0.00 N ATOM 0 H LYS A 64 6.490 16.502 -8.774 1.00 0.00 H new ATOM 0 HA LYS A 64 4.520 17.975 -10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.582 15.148 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.077 15.481 -11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.651 16.969 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.196 15.486 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.336 17.883 -12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.559 17.723 -13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.740 16.733 -14.664 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.521 15.327 -13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.842 14.988 -12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.613 16.640 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.943 15.945 -13.616 1.00 0.00 H new ATOM 1051 N GLU A 65 3.615 15.666 -8.123 1.00 0.00 N ATOM 1052 CA GLU A 65 2.516 15.237 -7.266 1.00 0.00 C ATOM 1053 C GLU A 65 2.617 15.882 -5.887 1.00 0.00 C ATOM 1054 O GLU A 65 3.576 16.594 -5.590 1.00 0.00 O ATOM 1055 CB GLU A 65 2.512 13.713 -7.129 1.00 0.00 C ATOM 1056 CG GLU A 65 2.268 12.984 -8.440 1.00 0.00 C ATOM 1057 CD GLU A 65 3.461 13.048 -9.374 1.00 0.00 C ATOM 1058 OE1 GLU A 65 4.561 12.627 -8.959 1.00 0.00 O ATOM 1059 OE2 GLU A 65 3.295 13.519 -10.518 1.00 0.00 O ATOM 0 H GLU A 65 4.454 15.090 -8.054 1.00 0.00 H new ATOM 0 HA GLU A 65 1.582 15.556 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.468 13.391 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.743 13.423 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.029 11.941 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.399 13.417 -8.936 1.00 0.00 H new ATOM 1066 N THR A 66 1.618 15.628 -5.047 1.00 0.00 N ATOM 1067 CA THR A 66 1.593 16.184 -3.700 1.00 0.00 C ATOM 1068 C THR A 66 1.368 15.094 -2.659 1.00 0.00 C ATOM 1069 O THR A 66 0.632 14.132 -2.881 1.00 0.00 O ATOM 1070 CB THR A 66 0.492 17.252 -3.554 1.00 0.00 C ATOM 1071 OG1 THR A 66 0.354 17.629 -2.180 1.00 0.00 O ATOM 1072 CG2 THR A 66 -0.838 16.734 -4.079 1.00 0.00 C ATOM 0 H THR A 66 0.816 15.041 -5.276 1.00 0.00 H new ATOM 0 HA THR A 66 2.565 16.648 -3.532 1.00 0.00 H new ATOM 0 HB THR A 66 0.782 18.123 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.346 18.309 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.599 17.506 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.737 16.476 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.132 15.849 -3.515 1.00 0.00 H new ATOM 1080 N PRO A 67 2.014 15.245 -1.493 1.00 0.00 N ATOM 1081 CA PRO A 67 1.899 14.283 -0.394 1.00 0.00 C ATOM 1082 C PRO A 67 0.520 14.307 0.256 1.00 0.00 C ATOM 1083 O PRO A 67 0.113 13.346 0.907 1.00 0.00 O ATOM 1084 CB PRO A 67 2.966 14.750 0.600 1.00 0.00 C ATOM 1085 CG PRO A 67 3.136 16.202 0.318 1.00 0.00 C ATOM 1086 CD PRO A 67 2.907 16.367 -1.159 1.00 0.00 C ATOM 0 HA PRO A 67 2.035 13.257 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.649 14.581 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.901 14.208 0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.425 16.797 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.134 16.540 0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.448 17.328 -1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.841 16.317 -1.719 1.00 0.00 H new ATOM 1094 N ASN A 68 -0.195 15.413 0.075 1.00 0.00 N ATOM 1095 CA ASN A 68 -1.530 15.562 0.644 1.00 0.00 C ATOM 1096 C ASN A 68 -1.615 14.895 2.013 1.00 0.00 C ATOM 1097 O ASN A 68 -2.612 14.252 2.340 1.00 0.00 O ATOM 1098 CB ASN A 68 -2.577 14.960 -0.295 1.00 0.00 C ATOM 1099 CG ASN A 68 -2.418 13.461 -0.454 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -2.720 12.693 0.460 1.00 0.00 O ATOM 1101 ND2 ASN A 68 -1.941 13.037 -1.619 1.00 0.00 N ATOM 0 H ASN A 68 0.127 16.219 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.730 16.627 0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.574 15.178 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.501 15.436 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.812 12.039 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.704 13.710 -2.348 1.00 0.00 H new ATOM 1108 N GLN A 69 -0.563 15.055 2.809 1.00 0.00 N ATOM 1109 CA GLN A 69 -0.519 14.468 4.143 1.00 0.00 C ATOM 1110 C GLN A 69 -0.442 15.552 5.213 1.00 0.00 C ATOM 1111 O GLN A 69 0.003 16.670 4.949 1.00 0.00 O ATOM 1112 CB GLN A 69 0.679 13.524 4.269 1.00 0.00 C ATOM 1113 CG GLN A 69 0.712 12.755 5.580 1.00 0.00 C ATOM 1114 CD GLN A 69 -0.312 11.638 5.628 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -1.488 11.845 5.327 1.00 0.00 O ATOM 1116 NE2 GLN A 69 0.131 10.445 6.007 1.00 0.00 N ATOM 0 H GLN A 69 0.270 15.586 2.554 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.437 13.900 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.661 12.815 3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.598 14.102 4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.708 12.336 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.532 13.444 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.114 10.319 6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.512 9.655 6.058 1.00 0.00 H new ATOM 1125 N LYS A 70 -0.877 15.216 6.422 1.00 0.00 N ATOM 1126 CA LYS A 70 -0.857 16.160 7.533 1.00 0.00 C ATOM 1127 C LYS A 70 -0.942 15.429 8.870 1.00 0.00 C ATOM 1128 O LYS A 70 -1.751 14.517 9.040 1.00 0.00 O ATOM 1129 CB LYS A 70 -2.016 17.151 7.408 1.00 0.00 C ATOM 1130 CG LYS A 70 -1.844 18.398 8.258 1.00 0.00 C ATOM 1131 CD LYS A 70 -0.778 19.319 7.688 1.00 0.00 C ATOM 1132 CE LYS A 70 -1.303 20.114 6.503 1.00 0.00 C ATOM 1133 NZ LYS A 70 -2.241 21.190 6.928 1.00 0.00 N ATOM 0 H LYS A 70 -1.248 14.296 6.658 1.00 0.00 H new ATOM 0 HA LYS A 70 0.086 16.706 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.121 17.445 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.942 16.652 7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.792 18.932 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.573 18.112 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.435 20.004 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.085 18.730 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.466 20.555 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.811 19.442 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.404 21.842 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.145 20.767 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.830 21.714 7.727 1.00 0.00 H new ATOM 1147 N THR A 71 -0.103 15.837 9.816 1.00 0.00 N ATOM 1148 CA THR A 71 -0.083 15.221 11.137 1.00 0.00 C ATOM 1149 C THR A 71 -1.467 15.246 11.776 1.00 0.00 C ATOM 1150 O THR A 71 -1.886 16.260 12.332 1.00 0.00 O ATOM 1151 CB THR A 71 0.914 15.930 12.073 1.00 0.00 C ATOM 1152 OG1 THR A 71 2.231 15.881 11.513 1.00 0.00 O ATOM 1153 CG2 THR A 71 0.919 15.283 13.450 1.00 0.00 C ATOM 0 H THR A 71 0.572 16.592 9.692 1.00 0.00 H new ATOM 0 HA THR A 71 0.232 14.187 10.998 1.00 0.00 H new ATOM 0 HB THR A 71 0.602 16.969 12.179 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.859 16.335 12.113 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.631 15.801 14.093 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.078 15.348 13.886 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.208 14.236 13.359 1.00 0.00 H new ATOM 1161 N GLY A 72 -2.172 14.122 11.692 1.00 0.00 N ATOM 1162 CA GLY A 72 -3.502 14.036 12.267 1.00 0.00 C ATOM 1163 C GLY A 72 -4.591 14.040 11.213 1.00 0.00 C ATOM 1164 O GLY A 72 -5.636 14.664 11.393 1.00 0.00 O ATOM 0 H GLY A 72 -1.846 13.270 11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.579 13.126 12.861 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.655 14.874 12.947 1.00 0.00 H new TER 1168 GLY A 72