USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 785 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 21 THR OG1 : rot 107:sc= 1.07 USER MOD Set 1.2: A 43 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.1: A 11 MET CE :methyl 178:sc= -0.515 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot 130:sc= -1.18 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 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -118:sc= -0.966 (180deg=-3.07!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= -0.233 (180deg=-1.06) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -0.0386 (180deg=-0.365) USER MOD Single : A 20 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 23 SER OG : rot 107:sc= -0.815 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 25 HIS : no HE2:sc= -2.34 X(o=-2.3,f=-2.5) USER MOD Single : A 27 MET CE :methyl -147:sc= -4.89! (180deg=-7.55!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.141 (180deg=0.0308) USER MOD Single : A 30 GLN : amide:sc= -2.35 K(o=-2.3,f=-3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -130:sc= -0.762 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -2.76 X(o=-2.8,f=-3.2) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.158 F(o=-0.73,f=-0.16) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0828 X(o=-0.083,f=-0.57) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.995 F(o=-1.7,f=-1) USER MOD Single : A 61 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=0.009) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 66 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.4) USER MOD Single : A 68 MET CE :methyl 167:sc= -0.355 (180deg=-0.871) USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= -0.0516 (180deg=-0.363) USER MOD Single : A 71 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.1!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 139:sc= -0.0195 (180deg=-0.26) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.245 -9.130 -11.640 1.00 0.00 N ATOM 2 CA GLY A 1 -17.709 -9.327 -12.975 1.00 0.00 C ATOM 3 C GLY A 1 -16.251 -8.926 -13.080 1.00 0.00 C ATOM 4 O GLY A 1 -15.867 -8.190 -13.988 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.244 -9.419 -11.621 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.706 -9.704 -10.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.170 -8.126 -11.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.815 -10.375 -13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.295 -8.746 -13.688 1.00 0.00 H new ATOM 8 N SER A 2 -15.437 -9.411 -12.147 1.00 0.00 N ATOM 9 CA SER A 2 -14.014 -9.094 -12.135 1.00 0.00 C ATOM 10 C SER A 2 -13.179 -10.352 -11.920 1.00 0.00 C ATOM 11 O SER A 2 -13.610 -11.290 -11.247 1.00 0.00 O ATOM 12 CB SER A 2 -13.707 -8.070 -11.040 1.00 0.00 C ATOM 13 OG SER A 2 -14.497 -8.305 -9.887 1.00 0.00 O ATOM 0 H SER A 2 -15.739 -10.025 -11.390 1.00 0.00 H new ATOM 0 HA SER A 2 -13.754 -8.668 -13.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.650 -8.120 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.895 -7.064 -11.415 1.00 0.00 H new ATOM 0 HG SER A 2 -14.281 -7.639 -9.201 1.00 0.00 H new ATOM 19 N HIS A 3 -11.981 -10.366 -12.496 1.00 0.00 N ATOM 20 CA HIS A 3 -11.084 -11.509 -12.367 1.00 0.00 C ATOM 21 C HIS A 3 -9.641 -11.049 -12.186 1.00 0.00 C ATOM 22 O HIS A 3 -9.243 -10.005 -12.703 1.00 0.00 O ATOM 23 CB HIS A 3 -11.194 -12.411 -13.597 1.00 0.00 C ATOM 24 CG HIS A 3 -12.367 -13.341 -13.555 1.00 0.00 C ATOM 25 ND1 HIS A 3 -13.371 -13.329 -14.500 1.00 0.00 N ATOM 26 CD2 HIS A 3 -12.693 -14.317 -12.675 1.00 0.00 C ATOM 27 CE1 HIS A 3 -14.264 -14.255 -14.202 1.00 0.00 C ATOM 28 NE2 HIS A 3 -13.876 -14.869 -13.099 1.00 0.00 N ATOM 0 H HIS A 3 -11.609 -9.599 -13.056 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.380 -12.074 -11.483 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.266 -11.788 -14.489 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.280 -12.997 -13.691 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.127 -14.607 -11.802 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.160 -14.473 -14.765 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.374 -15.630 -12.637 1.00 0.00 H new ATOM 36 N MET A 4 -8.862 -11.834 -11.449 1.00 0.00 N ATOM 37 CA MET A 4 -7.463 -11.507 -11.200 1.00 0.00 C ATOM 38 C MET A 4 -6.579 -12.739 -11.363 1.00 0.00 C ATOM 39 O MET A 4 -7.075 -13.857 -11.506 1.00 0.00 O ATOM 40 CB MET A 4 -7.295 -10.927 -9.795 1.00 0.00 C ATOM 41 CG MET A 4 -7.538 -9.428 -9.723 1.00 0.00 C ATOM 42 SD MET A 4 -9.289 -9.013 -9.610 1.00 0.00 S ATOM 43 CE MET A 4 -9.462 -8.750 -7.846 1.00 0.00 C ATOM 0 H MET A 4 -9.176 -12.701 -11.014 1.00 0.00 H new ATOM 0 HA MET A 4 -7.155 -10.761 -11.933 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.984 -11.431 -9.118 1.00 0.00 H new ATOM 0 HB3 MET A 4 -6.287 -11.141 -9.441 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.015 -9.020 -8.858 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.112 -8.952 -10.606 1.00 0.00 H new ATOM 0 HE1 MET A 4 -10.494 -8.485 -7.617 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.196 -9.663 -7.314 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.802 -7.942 -7.532 1.00 0.00 H new ATOM 53 N VAL A 5 -5.267 -12.528 -11.342 1.00 0.00 N ATOM 54 CA VAL A 5 -4.314 -13.622 -11.487 1.00 0.00 C ATOM 55 C VAL A 5 -3.377 -13.697 -10.287 1.00 0.00 C ATOM 56 O VAL A 5 -2.251 -14.182 -10.395 1.00 0.00 O ATOM 57 CB VAL A 5 -3.476 -13.470 -12.770 1.00 0.00 C ATOM 58 CG1 VAL A 5 -4.370 -13.515 -14.000 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.673 -12.179 -12.732 1.00 0.00 C ATOM 0 H VAL A 5 -4.840 -11.609 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.895 -14.542 -11.549 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.777 -14.304 -12.827 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.760 -13.406 -14.897 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.896 -14.469 -14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.095 -12.702 -13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.087 -12.088 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.352 -11.330 -12.650 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.004 -12.192 -11.872 1.00 0.00 H new ATOM 69 N ASP A 6 -3.849 -13.213 -9.144 1.00 0.00 N ATOM 70 CA ASP A 6 -3.054 -13.226 -7.921 1.00 0.00 C ATOM 71 C ASP A 6 -3.881 -13.723 -6.740 1.00 0.00 C ATOM 72 O ASP A 6 -4.110 -12.992 -5.777 1.00 0.00 O ATOM 73 CB ASP A 6 -2.510 -11.828 -7.626 1.00 0.00 C ATOM 74 CG ASP A 6 -1.278 -11.860 -6.743 1.00 0.00 C ATOM 75 OD1 ASP A 6 -0.579 -12.895 -6.737 1.00 0.00 O ATOM 76 OD2 ASP A 6 -1.012 -10.850 -6.059 1.00 0.00 O ATOM 0 H ASP A 6 -4.778 -12.806 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.218 -13.909 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.268 -11.330 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.285 -11.234 -7.141 1.00 0.00 H new ATOM 81 N LYS A 7 -4.328 -14.972 -6.821 1.00 0.00 N ATOM 82 CA LYS A 7 -5.130 -15.569 -5.759 1.00 0.00 C ATOM 83 C LYS A 7 -4.690 -17.004 -5.486 1.00 0.00 C ATOM 84 O LYS A 7 -5.365 -17.965 -5.854 1.00 0.00 O ATOM 85 CB LYS A 7 -6.613 -15.541 -6.135 1.00 0.00 C ATOM 86 CG LYS A 7 -6.890 -16.014 -7.552 1.00 0.00 C ATOM 87 CD LYS A 7 -8.375 -15.981 -7.870 1.00 0.00 C ATOM 88 CE LYS A 7 -8.642 -16.342 -9.324 1.00 0.00 C ATOM 89 NZ LYS A 7 -10.094 -16.289 -9.651 1.00 0.00 N ATOM 0 H LYS A 7 -4.148 -15.591 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.981 -14.983 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.168 -16.167 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.989 -14.524 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.351 -15.383 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.512 -17.029 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.903 -16.677 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.771 -14.987 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.098 -15.657 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.261 -17.343 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.234 -16.541 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.610 -16.961 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.453 -15.327 -9.483 1.00 0.00 H new ATOM 103 N PRO A 8 -3.533 -17.154 -4.825 1.00 0.00 N ATOM 104 CA PRO A 8 -2.979 -18.468 -4.487 1.00 0.00 C ATOM 105 C PRO A 8 -3.796 -19.183 -3.416 1.00 0.00 C ATOM 106 O PRO A 8 -4.877 -18.729 -3.039 1.00 0.00 O ATOM 107 CB PRO A 8 -1.580 -18.138 -3.960 1.00 0.00 C ATOM 108 CG PRO A 8 -1.683 -16.739 -3.461 1.00 0.00 C ATOM 109 CD PRO A 8 -2.676 -16.051 -4.357 1.00 0.00 C ATOM 0 HA PRO A 8 -2.979 -19.143 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.286 -18.822 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.830 -18.223 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.015 -16.719 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.715 -16.240 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.250 -15.297 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.184 -15.544 -5.187 1.00 0.00 H new ATOM 117 N LYS A 9 -3.274 -20.304 -2.930 1.00 0.00 N ATOM 118 CA LYS A 9 -3.953 -21.082 -1.901 1.00 0.00 C ATOM 119 C LYS A 9 -2.963 -21.952 -1.134 1.00 0.00 C ATOM 120 O LYS A 9 -1.887 -22.274 -1.636 1.00 0.00 O ATOM 121 CB LYS A 9 -5.039 -21.958 -2.529 1.00 0.00 C ATOM 122 CG LYS A 9 -4.492 -23.056 -3.425 1.00 0.00 C ATOM 123 CD LYS A 9 -5.588 -24.007 -3.875 1.00 0.00 C ATOM 124 CE LYS A 9 -6.488 -23.366 -4.920 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.040 -24.372 -5.869 1.00 0.00 N ATOM 0 H LYS A 9 -2.382 -20.694 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.416 -20.386 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.633 -22.411 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.712 -21.327 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.015 -22.610 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.722 -23.613 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.140 -24.912 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.185 -24.309 -3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.308 -22.847 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.924 -22.615 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.648 -23.895 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.259 -24.850 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.600 -25.074 -5.344 1.00 0.00 H new ATOM 139 N MET A 10 -3.335 -22.330 0.085 1.00 0.00 N ATOM 140 CA MET A 10 -2.479 -23.166 0.920 1.00 0.00 C ATOM 141 C MET A 10 -3.268 -24.328 1.514 1.00 0.00 C ATOM 142 O MET A 10 -4.444 -24.186 1.849 1.00 0.00 O ATOM 143 CB MET A 10 -1.854 -22.333 2.040 1.00 0.00 C ATOM 144 CG MET A 10 -2.838 -21.402 2.728 1.00 0.00 C ATOM 145 SD MET A 10 -2.230 -20.796 4.313 1.00 0.00 S ATOM 146 CE MET A 10 -3.131 -21.850 5.447 1.00 0.00 C ATOM 0 H MET A 10 -4.222 -22.071 0.516 1.00 0.00 H new ATOM 0 HA MET A 10 -1.685 -23.572 0.293 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.422 -23.004 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.035 -21.743 1.629 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.047 -20.554 2.075 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.781 -21.926 2.882 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.776 -21.238 6.078 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.739 -22.556 4.882 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.426 -22.398 6.073 1.00 0.00 H new ATOM 156 N MET A 11 -2.613 -25.478 1.641 1.00 0.00 N ATOM 157 CA MET A 11 -3.255 -26.665 2.196 1.00 0.00 C ATOM 158 C MET A 11 -3.012 -26.761 3.699 1.00 0.00 C ATOM 159 O MET A 11 -1.914 -26.479 4.179 1.00 0.00 O ATOM 160 CB MET A 11 -2.733 -27.924 1.501 1.00 0.00 C ATOM 161 CG MET A 11 -3.679 -29.110 1.603 1.00 0.00 C ATOM 162 SD MET A 11 -3.143 -30.513 0.605 1.00 0.00 S ATOM 163 CE MET A 11 -4.081 -30.238 -0.896 1.00 0.00 C ATOM 0 H MET A 11 -1.640 -25.613 1.368 1.00 0.00 H new ATOM 0 HA MET A 11 -4.328 -26.582 2.024 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.555 -27.701 0.449 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.772 -28.198 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.757 -29.419 2.645 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.676 -28.803 1.286 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.831 -31.006 -1.627 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.147 -30.284 -0.672 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.837 -29.257 -1.303 1.00 0.00 H new ATOM 173 N ILE A 12 -4.043 -27.160 4.435 1.00 0.00 N ATOM 174 CA ILE A 12 -3.940 -27.294 5.883 1.00 0.00 C ATOM 175 C ILE A 12 -4.751 -28.484 6.384 1.00 0.00 C ATOM 176 O ILE A 12 -5.957 -28.570 6.151 1.00 0.00 O ATOM 177 CB ILE A 12 -4.422 -26.020 6.602 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.751 -25.546 6.010 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.371 -24.925 6.501 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.707 -24.987 7.041 1.00 0.00 C ATOM 0 H ILE A 12 -4.959 -27.396 4.053 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.886 -27.454 6.111 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.577 -26.252 7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.553 -24.782 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.229 -26.381 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.726 -24.031 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.445 -25.265 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.187 -24.693 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.627 -24.671 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.935 -25.755 7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.248 -24.132 7.537 1.00 0.00 H new ATOM 192 N ALA A 13 -4.081 -29.401 7.075 1.00 0.00 N ATOM 193 CA ALA A 13 -4.740 -30.585 7.613 1.00 0.00 C ATOM 194 C ALA A 13 -5.150 -30.373 9.066 1.00 0.00 C ATOM 195 O ALA A 13 -4.313 -30.086 9.922 1.00 0.00 O ATOM 196 CB ALA A 13 -3.829 -31.797 7.491 1.00 0.00 C ATOM 0 H ALA A 13 -3.082 -29.347 7.275 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.644 -30.763 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.334 -32.674 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.590 -31.969 6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.909 -31.618 8.048 1.00 0.00 H new ATOM 202 N PHE A 14 -6.443 -30.514 9.338 1.00 0.00 N ATOM 203 CA PHE A 14 -6.964 -30.336 10.689 1.00 0.00 C ATOM 204 C PHE A 14 -7.666 -31.602 11.172 1.00 0.00 C ATOM 205 O PHE A 14 -8.415 -32.235 10.426 1.00 0.00 O ATOM 206 CB PHE A 14 -7.934 -29.154 10.732 1.00 0.00 C ATOM 207 CG PHE A 14 -9.378 -29.564 10.796 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.088 -29.831 9.637 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.024 -29.684 12.016 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.417 -30.208 9.694 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.352 -30.061 12.079 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.049 -30.325 10.916 1.00 0.00 C ATOM 0 H PHE A 14 -7.149 -30.751 8.641 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.123 -30.132 11.352 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.702 -28.535 11.599 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.779 -28.535 9.848 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.598 -29.744 8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.483 -29.480 12.928 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.961 -30.411 8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.844 -30.149 13.036 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.086 -30.622 10.962 1.00 0.00 H new ATOM 222 N THR A 15 -7.418 -31.967 12.426 1.00 0.00 N ATOM 223 CA THR A 15 -8.024 -33.157 13.010 1.00 0.00 C ATOM 224 C THR A 15 -9.350 -32.825 13.684 1.00 0.00 C ATOM 225 O THR A 15 -9.382 -32.145 14.710 1.00 0.00 O ATOM 226 CB THR A 15 -7.088 -33.816 14.040 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.866 -34.215 13.408 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.752 -35.026 14.679 1.00 0.00 C ATOM 0 H THR A 15 -6.801 -31.455 13.057 1.00 0.00 H new ATOM 0 HA THR A 15 -8.201 -33.855 12.192 1.00 0.00 H new ATOM 0 HB THR A 15 -6.872 -33.086 14.820 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.276 -34.632 14.070 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.072 -35.475 15.403 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.666 -34.715 15.185 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.995 -35.757 13.908 1.00 0.00 H new ATOM 236 N CYS A 16 -10.442 -33.309 13.102 1.00 0.00 N ATOM 237 CA CYS A 16 -11.772 -33.063 13.648 1.00 0.00 C ATOM 238 C CYS A 16 -11.943 -33.754 14.997 1.00 0.00 C ATOM 239 O CYS A 16 -12.051 -34.978 15.071 1.00 0.00 O ATOM 240 CB CYS A 16 -12.844 -33.551 12.672 1.00 0.00 C ATOM 241 SG CYS A 16 -14.424 -32.685 12.819 1.00 0.00 S ATOM 0 H CYS A 16 -10.432 -33.874 12.253 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.885 -31.989 13.794 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.472 -33.437 11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.009 -34.616 12.833 1.00 0.00 H new ATOM 246 N LYS A 17 -11.964 -32.961 16.063 1.00 0.00 N ATOM 247 CA LYS A 17 -12.120 -33.495 17.411 1.00 0.00 C ATOM 248 C LYS A 17 -13.542 -33.999 17.634 1.00 0.00 C ATOM 249 O LYS A 17 -13.826 -34.669 18.628 1.00 0.00 O ATOM 250 CB LYS A 17 -11.779 -32.424 18.449 1.00 0.00 C ATOM 251 CG LYS A 17 -10.287 -32.240 18.665 1.00 0.00 C ATOM 252 CD LYS A 17 -9.717 -31.173 17.747 1.00 0.00 C ATOM 253 CE LYS A 17 -9.814 -29.790 18.373 1.00 0.00 C ATOM 254 NZ LYS A 17 -11.131 -29.150 18.103 1.00 0.00 N ATOM 0 H LYS A 17 -11.875 -31.946 16.020 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.433 -34.334 17.525 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.212 -31.474 18.135 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.245 -32.688 19.398 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.100 -31.965 19.703 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.774 -33.185 18.488 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.674 -31.401 17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.254 -31.183 16.798 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.662 -29.867 19.450 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.016 -29.158 17.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.027 -28.116 18.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.469 -29.435 17.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.818 -29.452 18.823 1.00 0.00 H new ATOM 268 N LYS A 18 -14.433 -33.675 16.703 1.00 0.00 N ATOM 269 CA LYS A 18 -15.826 -34.097 16.796 1.00 0.00 C ATOM 270 C LYS A 18 -15.961 -35.591 16.522 1.00 0.00 C ATOM 271 O LYS A 18 -16.506 -36.335 17.339 1.00 0.00 O ATOM 272 CB LYS A 18 -16.687 -33.306 15.809 1.00 0.00 C ATOM 273 CG LYS A 18 -16.845 -31.841 16.177 1.00 0.00 C ATOM 274 CD LYS A 18 -16.199 -30.933 15.144 1.00 0.00 C ATOM 275 CE LYS A 18 -16.338 -29.467 15.525 1.00 0.00 C ATOM 276 NZ LYS A 18 -15.728 -29.179 16.853 1.00 0.00 N ATOM 0 H LYS A 18 -14.215 -33.121 15.875 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.173 -33.899 17.810 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.244 -33.377 14.816 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.674 -33.766 15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.904 -31.599 16.264 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.396 -31.660 17.153 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.143 -31.186 15.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.660 -31.102 14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.862 -28.847 14.765 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.393 -29.195 15.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.644 -28.150 16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.330 -29.573 17.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.784 -29.612 16.903 1.00 0.00 H new ATOM 290 N CYS A 19 -15.462 -36.024 15.369 1.00 0.00 N ATOM 291 CA CYS A 19 -15.527 -37.430 14.988 1.00 0.00 C ATOM 292 C CYS A 19 -14.129 -38.034 14.898 1.00 0.00 C ATOM 293 O CYS A 19 -13.931 -39.075 14.274 1.00 0.00 O ATOM 294 CB CYS A 19 -16.249 -37.584 13.649 1.00 0.00 C ATOM 295 SG CYS A 19 -15.627 -36.497 12.345 1.00 0.00 S ATOM 0 H CYS A 19 -15.008 -35.421 14.682 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.085 -37.964 15.757 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.160 -38.619 13.318 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.311 -37.386 13.796 1.00 0.00 H new ATOM 300 N ASN A 20 -13.162 -37.371 15.524 1.00 0.00 N ATOM 301 CA ASN A 20 -11.782 -37.841 15.513 1.00 0.00 C ATOM 302 C ASN A 20 -11.332 -38.172 14.093 1.00 0.00 C ATOM 303 O ASN A 20 -10.511 -39.066 13.882 1.00 0.00 O ATOM 304 CB ASN A 20 -11.634 -39.074 16.407 1.00 0.00 C ATOM 305 CG ASN A 20 -12.232 -38.864 17.785 1.00 0.00 C ATOM 306 OD1 ASN A 20 -13.038 -39.668 18.253 1.00 0.00 O ATOM 307 ND2 ASN A 20 -11.838 -37.778 18.441 1.00 0.00 N ATOM 0 H ASN A 20 -13.309 -36.507 16.045 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.149 -37.042 15.899 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.118 -39.926 15.930 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.577 -39.323 16.506 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.206 -37.583 19.372 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.168 -37.139 18.014 1.00 0.00 H new ATOM 314 N THR A 21 -11.873 -37.444 13.122 1.00 0.00 N ATOM 315 CA THR A 21 -11.528 -37.660 11.722 1.00 0.00 C ATOM 316 C THR A 21 -10.674 -36.518 11.184 1.00 0.00 C ATOM 317 O THR A 21 -11.021 -35.346 11.334 1.00 0.00 O ATOM 318 CB THR A 21 -12.789 -37.799 10.848 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.663 -38.789 11.402 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.420 -38.181 9.423 1.00 0.00 C ATOM 0 H THR A 21 -12.552 -36.699 13.279 1.00 0.00 H new ATOM 0 HA THR A 21 -10.959 -38.588 11.676 1.00 0.00 H new ATOM 0 HB THR A 21 -13.299 -36.836 10.829 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.439 -38.350 11.808 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.326 -38.273 8.825 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.779 -37.411 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.890 -39.133 9.427 1.00 0.00 H new ATOM 328 N ARG A 22 -9.556 -36.867 10.556 1.00 0.00 N ATOM 329 CA ARG A 22 -8.651 -35.870 9.996 1.00 0.00 C ATOM 330 C ARG A 22 -8.886 -35.703 8.498 1.00 0.00 C ATOM 331 O ARG A 22 -9.148 -36.675 7.789 1.00 0.00 O ATOM 332 CB ARG A 22 -7.197 -36.268 10.254 1.00 0.00 C ATOM 333 CG ARG A 22 -6.226 -35.100 10.193 1.00 0.00 C ATOM 334 CD ARG A 22 -4.801 -35.572 9.950 1.00 0.00 C ATOM 335 NE ARG A 22 -3.815 -34.630 10.474 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.540 -34.618 10.102 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.099 -35.491 9.208 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.704 -33.730 10.624 1.00 0.00 N ATOM 0 H ARG A 22 -9.255 -37.832 10.422 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.852 -34.917 10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.126 -36.737 11.235 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.898 -37.017 9.520 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.525 -34.418 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.270 -34.539 11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.657 -36.546 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.641 -35.706 8.880 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.123 -33.944 11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.739 -36.174 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.119 -35.480 8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.040 -33.056 11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.725 -33.722 10.338 1.00 0.00 H new ATOM 352 N SER A 23 -8.792 -34.466 8.023 1.00 0.00 N ATOM 353 CA SER A 23 -8.998 -34.171 6.610 1.00 0.00 C ATOM 354 C SER A 23 -8.261 -32.898 6.207 1.00 0.00 C ATOM 355 O SER A 23 -8.200 -31.934 6.970 1.00 0.00 O ATOM 356 CB SER A 23 -10.492 -34.025 6.310 1.00 0.00 C ATOM 357 OG SER A 23 -11.235 -35.076 6.902 1.00 0.00 O ATOM 0 H SER A 23 -8.574 -33.651 8.596 1.00 0.00 H new ATOM 0 HA SER A 23 -8.597 -35.002 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.850 -33.066 6.685 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.652 -34.025 5.232 1.00 0.00 H new ATOM 0 HG SER A 23 -11.733 -34.731 7.672 1.00 0.00 H new ATOM 363 N SER A 24 -7.701 -32.902 5.001 1.00 0.00 N ATOM 364 CA SER A 24 -6.963 -31.750 4.497 1.00 0.00 C ATOM 365 C SER A 24 -7.872 -30.839 3.678 1.00 0.00 C ATOM 366 O SER A 24 -8.781 -31.305 2.989 1.00 0.00 O ATOM 367 CB SER A 24 -5.780 -32.210 3.642 1.00 0.00 C ATOM 368 OG SER A 24 -4.798 -32.854 4.435 1.00 0.00 O ATOM 0 H SER A 24 -7.745 -33.690 4.355 1.00 0.00 H new ATOM 0 HA SER A 24 -6.588 -31.187 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.131 -32.892 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.338 -31.352 3.136 1.00 0.00 H new ATOM 0 HG SER A 24 -4.054 -33.140 3.865 1.00 0.00 H new ATOM 374 N HIS A 25 -7.622 -29.536 3.758 1.00 0.00 N ATOM 375 CA HIS A 25 -8.417 -28.558 3.025 1.00 0.00 C ATOM 376 C HIS A 25 -7.546 -27.401 2.542 1.00 0.00 C ATOM 377 O HIS A 25 -6.845 -26.767 3.331 1.00 0.00 O ATOM 378 CB HIS A 25 -9.549 -28.027 3.904 1.00 0.00 C ATOM 379 CG HIS A 25 -10.142 -29.063 4.808 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.382 -29.628 4.594 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.658 -29.639 5.933 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.635 -30.504 5.549 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.604 -30.531 6.374 1.00 0.00 N ATOM 0 H HIS A 25 -6.875 -29.133 4.323 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.846 -29.055 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.172 -27.202 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.334 -27.622 3.266 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.006 -29.404 3.819 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.705 -29.435 6.398 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.533 -31.098 5.640 1.00 0.00 H new ATOM 391 N THR A 26 -7.594 -27.133 1.241 1.00 0.00 N ATOM 392 CA THR A 26 -6.809 -26.055 0.654 1.00 0.00 C ATOM 393 C THR A 26 -7.680 -24.841 0.353 1.00 0.00 C ATOM 394 O THR A 26 -8.649 -24.932 -0.400 1.00 0.00 O ATOM 395 CB THR A 26 -6.115 -26.509 -0.645 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.738 -27.886 -0.543 1.00 0.00 O ATOM 397 CG2 THR A 26 -4.884 -25.660 -0.925 1.00 0.00 C ATOM 0 H THR A 26 -8.169 -27.648 0.574 1.00 0.00 H new ATOM 0 HA THR A 26 -6.050 -25.781 1.387 1.00 0.00 H new ATOM 0 HB THR A 26 -6.817 -26.385 -1.469 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.052 -28.371 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.410 -25.999 -1.847 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.178 -24.616 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.180 -25.756 -0.099 1.00 0.00 H new ATOM 405 N MET A 27 -7.329 -23.705 0.946 1.00 0.00 N ATOM 406 CA MET A 27 -8.079 -22.471 0.739 1.00 0.00 C ATOM 407 C MET A 27 -7.137 -21.297 0.494 1.00 0.00 C ATOM 408 O MET A 27 -5.960 -21.348 0.852 1.00 0.00 O ATOM 409 CB MET A 27 -8.970 -22.182 1.949 1.00 0.00 C ATOM 410 CG MET A 27 -8.193 -21.792 3.196 1.00 0.00 C ATOM 411 SD MET A 27 -7.553 -23.221 4.090 1.00 0.00 S ATOM 412 CE MET A 27 -9.075 -24.066 4.512 1.00 0.00 C ATOM 0 H MET A 27 -6.530 -23.613 1.574 1.00 0.00 H new ATOM 0 HA MET A 27 -8.707 -22.600 -0.143 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.663 -21.379 1.696 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.571 -23.065 2.167 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.364 -21.143 2.915 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.840 -21.215 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.959 -24.567 5.473 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.887 -23.342 4.576 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.307 -24.804 3.744 1.00 0.00 H new ATOM 422 N SER A 28 -7.662 -20.240 -0.117 1.00 0.00 N ATOM 423 CA SER A 28 -6.866 -19.054 -0.413 1.00 0.00 C ATOM 424 C SER A 28 -6.181 -18.531 0.846 1.00 0.00 C ATOM 425 O SER A 28 -6.834 -18.251 1.852 1.00 0.00 O ATOM 426 CB SER A 28 -7.748 -17.961 -1.020 1.00 0.00 C ATOM 427 OG SER A 28 -8.159 -18.306 -2.331 1.00 0.00 O ATOM 0 H SER A 28 -8.635 -20.180 -0.417 1.00 0.00 H new ATOM 0 HA SER A 28 -6.097 -19.333 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.624 -17.805 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.200 -17.019 -1.043 1.00 0.00 H new ATOM 0 HG SER A 28 -8.723 -17.592 -2.696 1.00 0.00 H new ATOM 433 N LYS A 29 -4.860 -18.402 0.783 1.00 0.00 N ATOM 434 CA LYS A 29 -4.084 -17.912 1.916 1.00 0.00 C ATOM 435 C LYS A 29 -4.500 -16.492 2.286 1.00 0.00 C ATOM 436 O LYS A 29 -4.433 -16.100 3.451 1.00 0.00 O ATOM 437 CB LYS A 29 -2.589 -17.948 1.590 1.00 0.00 C ATOM 438 CG LYS A 29 -2.157 -16.881 0.599 1.00 0.00 C ATOM 439 CD LYS A 29 -1.637 -15.641 1.307 1.00 0.00 C ATOM 440 CE LYS A 29 -0.137 -15.724 1.547 1.00 0.00 C ATOM 441 NZ LYS A 29 0.386 -14.500 2.214 1.00 0.00 N ATOM 0 H LYS A 29 -4.304 -18.630 -0.041 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.280 -18.563 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.021 -17.826 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.337 -18.929 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.381 -17.281 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.000 -16.611 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.863 -14.758 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.153 -15.521 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.085 -16.596 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.376 -15.867 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.406 -14.415 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.104 -13.663 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.221 -14.566 3.239 1.00 0.00 H new ATOM 455 N GLN A 30 -4.931 -15.726 1.289 1.00 0.00 N ATOM 456 CA GLN A 30 -5.358 -14.350 1.512 1.00 0.00 C ATOM 457 C GLN A 30 -6.667 -14.307 2.293 1.00 0.00 C ATOM 458 O GLN A 30 -6.823 -13.509 3.218 1.00 0.00 O ATOM 459 CB GLN A 30 -5.523 -13.623 0.176 1.00 0.00 C ATOM 460 CG GLN A 30 -6.257 -12.296 0.293 1.00 0.00 C ATOM 461 CD GLN A 30 -5.753 -11.450 1.445 1.00 0.00 C ATOM 462 OE1 GLN A 30 -4.602 -11.573 1.864 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.614 -10.582 1.964 1.00 0.00 N ATOM 0 H GLN A 30 -4.994 -16.035 0.319 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.589 -13.847 2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.538 -13.447 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.064 -14.269 -0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.145 -11.740 -0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.322 -12.485 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.559 -10.513 1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.330 -9.985 2.741 1.00 0.00 H new ATOM 472 N ALA A 31 -7.605 -15.169 1.916 1.00 0.00 N ATOM 473 CA ALA A 31 -8.900 -15.229 2.582 1.00 0.00 C ATOM 474 C ALA A 31 -8.775 -15.852 3.969 1.00 0.00 C ATOM 475 O ALA A 31 -9.542 -15.529 4.876 1.00 0.00 O ATOM 476 CB ALA A 31 -9.893 -16.014 1.737 1.00 0.00 C ATOM 0 H ALA A 31 -7.492 -15.836 1.152 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.267 -14.210 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.856 -16.051 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.013 -15.526 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.522 -17.028 1.588 1.00 0.00 H new ATOM 482 N TYR A 32 -7.805 -16.746 4.125 1.00 0.00 N ATOM 483 CA TYR A 32 -7.582 -17.416 5.401 1.00 0.00 C ATOM 484 C TYR A 32 -6.821 -16.512 6.366 1.00 0.00 C ATOM 485 O TYR A 32 -7.208 -16.358 7.524 1.00 0.00 O ATOM 486 CB TYR A 32 -6.808 -18.719 5.188 1.00 0.00 C ATOM 487 CG TYR A 32 -6.368 -19.379 6.475 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.155 -19.050 7.067 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.164 -20.331 7.098 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.748 -19.651 8.243 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.767 -20.936 8.275 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.558 -20.593 8.843 1.00 0.00 C ATOM 493 OH TYR A 32 -5.157 -21.194 10.014 1.00 0.00 O ATOM 0 H TYR A 32 -7.161 -17.023 3.384 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.554 -17.645 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.432 -19.415 4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.930 -18.514 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.519 -18.312 6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.110 -20.603 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.801 -19.385 8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.400 -21.673 8.747 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.842 -21.832 10.305 1.00 0.00 H new ATOM 503 N GLU A 33 -5.738 -15.916 5.878 1.00 0.00 N ATOM 504 CA GLU A 33 -4.922 -15.026 6.697 1.00 0.00 C ATOM 505 C GLU A 33 -5.664 -13.726 6.992 1.00 0.00 C ATOM 506 O GLU A 33 -5.585 -13.189 8.097 1.00 0.00 O ATOM 507 CB GLU A 33 -3.597 -14.722 5.996 1.00 0.00 C ATOM 508 CG GLU A 33 -2.630 -15.895 5.987 1.00 0.00 C ATOM 509 CD GLU A 33 -1.182 -15.456 5.892 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.711 -14.761 6.817 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.520 -15.806 4.893 1.00 0.00 O ATOM 0 H GLU A 33 -5.405 -16.033 4.921 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.717 -15.530 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.800 -14.421 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.121 -13.874 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.769 -16.483 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.864 -16.548 5.146 1.00 0.00 H new ATOM 518 N LYS A 34 -6.385 -13.224 5.995 1.00 0.00 N ATOM 519 CA LYS A 34 -7.142 -11.987 6.145 1.00 0.00 C ATOM 520 C LYS A 34 -8.563 -12.150 5.614 1.00 0.00 C ATOM 521 O LYS A 34 -8.909 -11.611 4.565 1.00 0.00 O ATOM 522 CB LYS A 34 -6.440 -10.842 5.410 1.00 0.00 C ATOM 523 CG LYS A 34 -5.004 -10.625 5.854 1.00 0.00 C ATOM 524 CD LYS A 34 -4.923 -9.665 7.030 1.00 0.00 C ATOM 525 CE LYS A 34 -4.820 -10.410 8.352 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.201 -9.571 9.415 1.00 0.00 N ATOM 0 H LYS A 34 -6.461 -13.655 5.074 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.195 -11.750 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.454 -11.046 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.003 -9.922 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.560 -11.581 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.420 -10.232 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.057 -9.013 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.805 -9.025 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.814 -10.724 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.229 -11.315 8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.149 -10.115 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.243 -9.292 9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.779 -8.719 9.565 1.00 0.00 H new ATOM 540 N GLY A 35 -9.381 -12.898 6.348 1.00 0.00 N ATOM 541 CA GLY A 35 -10.755 -13.118 5.935 1.00 0.00 C ATOM 542 C GLY A 35 -11.375 -14.330 6.603 1.00 0.00 C ATOM 543 O GLY A 35 -10.741 -14.983 7.432 1.00 0.00 O ATOM 0 H GLY A 35 -9.117 -13.355 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.348 -12.234 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.790 -13.246 4.853 1.00 0.00 H new ATOM 547 N THR A 36 -12.618 -14.631 6.243 1.00 0.00 N ATOM 548 CA THR A 36 -13.325 -15.770 6.815 1.00 0.00 C ATOM 549 C THR A 36 -13.161 -17.012 5.946 1.00 0.00 C ATOM 550 O THR A 36 -13.190 -16.931 4.718 1.00 0.00 O ATOM 551 CB THR A 36 -14.827 -15.472 6.985 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.006 -14.314 7.808 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.547 -16.659 7.607 1.00 0.00 C ATOM 0 H THR A 36 -13.157 -14.102 5.557 1.00 0.00 H new ATOM 0 HA THR A 36 -12.885 -15.954 7.795 1.00 0.00 H new ATOM 0 HB THR A 36 -15.252 -15.286 5.999 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.654 -14.513 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.606 -16.425 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.433 -17.532 6.964 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.119 -16.872 8.586 1.00 0.00 H new ATOM 561 N VAL A 37 -12.988 -18.161 6.591 1.00 0.00 N ATOM 562 CA VAL A 37 -12.820 -19.421 5.876 1.00 0.00 C ATOM 563 C VAL A 37 -13.580 -20.549 6.566 1.00 0.00 C ATOM 564 O VAL A 37 -13.436 -20.764 7.770 1.00 0.00 O ATOM 565 CB VAL A 37 -11.334 -19.811 5.766 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.648 -18.997 4.679 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.634 -19.625 7.103 1.00 0.00 C ATOM 0 H VAL A 37 -12.960 -18.246 7.607 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.224 -19.273 4.874 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.272 -20.864 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.599 -19.286 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.135 -19.185 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.718 -17.936 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.585 -19.905 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.704 -18.581 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.110 -20.255 7.854 1.00 0.00 H new ATOM 577 N LEU A 38 -14.388 -21.268 5.795 1.00 0.00 N ATOM 578 CA LEU A 38 -15.171 -22.376 6.331 1.00 0.00 C ATOM 579 C LEU A 38 -14.839 -23.677 5.609 1.00 0.00 C ATOM 580 O LEU A 38 -14.868 -23.741 4.380 1.00 0.00 O ATOM 581 CB LEU A 38 -16.666 -22.077 6.206 1.00 0.00 C ATOM 582 CG LEU A 38 -17.260 -21.163 7.279 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.056 -21.761 8.662 1.00 0.00 C ATOM 584 CD2 LEU A 38 -16.642 -19.775 7.198 1.00 0.00 C ATOM 0 H LEU A 38 -14.518 -21.104 4.797 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.917 -22.492 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.845 -21.624 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.208 -23.023 6.222 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.331 -21.072 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.485 -21.097 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.547 -22.733 8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.990 -21.883 8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.076 -19.138 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.565 -19.847 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.841 -19.345 6.217 1.00 0.00 H new ATOM 596 N ILE A 39 -14.525 -24.713 6.380 1.00 0.00 N ATOM 597 CA ILE A 39 -14.190 -26.013 5.814 1.00 0.00 C ATOM 598 C ILE A 39 -15.125 -27.098 6.339 1.00 0.00 C ATOM 599 O ILE A 39 -15.511 -27.087 7.507 1.00 0.00 O ATOM 600 CB ILE A 39 -12.736 -26.408 6.129 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.431 -26.175 7.611 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.772 -25.620 5.255 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.423 -27.149 8.181 1.00 0.00 C ATOM 0 H ILE A 39 -14.496 -24.677 7.399 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.307 -25.926 4.734 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.608 -27.469 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.057 -25.160 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.358 -26.249 8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.748 -25.910 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.978 -25.830 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.899 -24.554 5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.256 -26.924 9.234 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.804 -28.166 8.083 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.483 -27.059 7.637 1.00 0.00 H new ATOM 615 N SER A 40 -15.483 -28.036 5.467 1.00 0.00 N ATOM 616 CA SER A 40 -16.374 -29.128 5.841 1.00 0.00 C ATOM 617 C SER A 40 -15.598 -30.432 5.999 1.00 0.00 C ATOM 618 O SER A 40 -14.740 -30.760 5.179 1.00 0.00 O ATOM 619 CB SER A 40 -17.474 -29.299 4.792 1.00 0.00 C ATOM 620 OG SER A 40 -18.552 -30.064 5.304 1.00 0.00 O ATOM 0 H SER A 40 -15.169 -28.061 4.497 1.00 0.00 H new ATOM 0 HA SER A 40 -16.831 -28.880 6.799 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.836 -28.320 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.065 -29.788 3.908 1.00 0.00 H new ATOM 0 HG SER A 40 -19.243 -30.158 4.615 1.00 0.00 H new ATOM 626 N CYS A 41 -15.905 -31.171 7.060 1.00 0.00 N ATOM 627 CA CYS A 41 -15.237 -32.439 7.327 1.00 0.00 C ATOM 628 C CYS A 41 -15.925 -33.583 6.588 1.00 0.00 C ATOM 629 O CYS A 41 -17.107 -33.861 6.788 1.00 0.00 O ATOM 630 CB CYS A 41 -15.220 -32.724 8.830 1.00 0.00 C ATOM 631 SG CYS A 41 -14.646 -34.383 9.260 1.00 0.00 S ATOM 0 H CYS A 41 -16.612 -30.913 7.749 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.211 -32.363 6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.580 -31.991 9.321 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.226 -32.585 9.227 1.00 0.00 H new ATOM 636 N PRO A 42 -15.169 -34.261 5.713 1.00 0.00 N ATOM 637 CA PRO A 42 -15.685 -35.385 4.925 1.00 0.00 C ATOM 638 C PRO A 42 -15.967 -36.613 5.783 1.00 0.00 C ATOM 639 O PRO A 42 -15.308 -37.644 5.644 1.00 0.00 O ATOM 640 CB PRO A 42 -14.554 -35.673 3.934 1.00 0.00 C ATOM 641 CG PRO A 42 -13.323 -35.173 4.608 1.00 0.00 C ATOM 642 CD PRO A 42 -13.751 -33.984 5.424 1.00 0.00 C ATOM 0 HA PRO A 42 -16.636 -35.146 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.481 -36.738 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.720 -35.164 2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.885 -35.944 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.565 -34.892 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.165 -33.892 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.628 -33.052 4.872 1.00 0.00 H new ATOM 650 N HIS A 43 -16.950 -36.497 6.670 1.00 0.00 N ATOM 651 CA HIS A 43 -17.319 -37.600 7.551 1.00 0.00 C ATOM 652 C HIS A 43 -18.559 -37.250 8.368 1.00 0.00 C ATOM 653 O HIS A 43 -19.637 -37.805 8.148 1.00 0.00 O ATOM 654 CB HIS A 43 -16.159 -37.945 8.485 1.00 0.00 C ATOM 655 CG HIS A 43 -16.369 -39.211 9.258 1.00 0.00 C ATOM 656 ND1 HIS A 43 -16.154 -40.463 8.723 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.775 -39.413 10.533 1.00 0.00 C ATOM 658 CE1 HIS A 43 -16.421 -41.381 9.635 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.799 -40.770 10.743 1.00 0.00 N ATOM 0 H HIS A 43 -17.505 -35.651 6.798 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.546 -38.467 6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.245 -38.035 7.898 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.009 -37.122 9.184 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.032 -38.649 11.252 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -16.343 -42.449 9.498 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -17.065 -41.231 11.613 1.00 0.00 H new ATOM 667 N CYS A 44 -18.399 -36.328 9.311 1.00 0.00 N ATOM 668 CA CYS A 44 -19.506 -35.906 10.163 1.00 0.00 C ATOM 669 C CYS A 44 -20.436 -34.956 9.415 1.00 0.00 C ATOM 670 O CYS A 44 -21.481 -34.560 9.930 1.00 0.00 O ATOM 671 CB CYS A 44 -18.974 -35.228 11.427 1.00 0.00 C ATOM 672 SG CYS A 44 -17.885 -33.821 11.107 1.00 0.00 S ATOM 0 H CYS A 44 -17.514 -35.859 9.505 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.073 -36.793 10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.818 -34.891 12.028 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.433 -35.965 12.021 1.00 0.00 H new ATOM 677 N LYS A 45 -20.047 -34.592 8.198 1.00 0.00 N ATOM 678 CA LYS A 45 -20.844 -33.688 7.377 1.00 0.00 C ATOM 679 C LYS A 45 -21.192 -32.418 8.148 1.00 0.00 C ATOM 680 O LYS A 45 -22.275 -32.306 8.722 1.00 0.00 O ATOM 681 CB LYS A 45 -22.126 -34.384 6.914 1.00 0.00 C ATOM 682 CG LYS A 45 -22.735 -33.769 5.666 1.00 0.00 C ATOM 683 CD LYS A 45 -22.040 -34.261 4.407 1.00 0.00 C ATOM 684 CE LYS A 45 -22.532 -35.643 4.003 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.621 -35.570 2.990 1.00 0.00 N ATOM 0 H LYS A 45 -19.183 -34.910 7.758 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.252 -33.412 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.910 -35.435 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.859 -34.351 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -23.796 -34.016 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.663 -32.683 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.218 -33.558 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.963 -34.291 4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.700 -36.221 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.892 -36.173 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.929 -36.532 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.425 -35.040 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.271 -35.087 2.138 1.00 0.00 H new ATOM 699 N VAL A 46 -20.267 -31.464 8.155 1.00 0.00 N ATOM 700 CA VAL A 46 -20.477 -30.201 8.853 1.00 0.00 C ATOM 701 C VAL A 46 -19.312 -29.245 8.622 1.00 0.00 C ATOM 702 O VAL A 46 -18.161 -29.669 8.509 1.00 0.00 O ATOM 703 CB VAL A 46 -20.655 -30.419 10.367 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.324 -30.764 11.017 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.271 -29.187 11.013 1.00 0.00 C ATOM 0 H VAL A 46 -19.365 -31.541 7.685 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.389 -29.763 8.447 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.334 -31.258 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.470 -30.914 12.087 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.928 -31.677 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.619 -29.948 10.858 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.390 -29.358 12.083 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.619 -28.328 10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.246 -28.991 10.566 1.00 0.00 H new ATOM 715 N ARG A 47 -19.618 -27.954 8.552 1.00 0.00 N ATOM 716 CA ARG A 47 -18.596 -26.937 8.334 1.00 0.00 C ATOM 717 C ARG A 47 -18.096 -26.375 9.662 1.00 0.00 C ATOM 718 O ARG A 47 -18.854 -26.262 10.625 1.00 0.00 O ATOM 719 CB ARG A 47 -19.149 -25.806 7.465 1.00 0.00 C ATOM 720 CG ARG A 47 -19.258 -26.166 5.993 1.00 0.00 C ATOM 721 CD ARG A 47 -20.428 -27.102 5.733 1.00 0.00 C ATOM 722 NE ARG A 47 -21.322 -26.587 4.700 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.166 -27.348 4.012 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.231 -28.651 4.246 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.948 -26.806 3.087 1.00 0.00 N ATOM 0 H ARG A 47 -20.565 -27.587 8.643 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.757 -27.405 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.135 -25.524 7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.507 -24.932 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.380 -25.257 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.333 -26.638 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.050 -28.079 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.988 -27.248 6.657 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.297 -25.588 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.632 -29.072 4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.880 -29.233 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.902 -25.804 2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.595 -27.392 2.560 1.00 0.00 H new ATOM 739 N HIS A 48 -16.814 -26.025 9.705 1.00 0.00 N ATOM 740 CA HIS A 48 -16.212 -25.475 10.914 1.00 0.00 C ATOM 741 C HIS A 48 -15.370 -24.244 10.591 1.00 0.00 C ATOM 742 O HIS A 48 -14.816 -24.129 9.497 1.00 0.00 O ATOM 743 CB HIS A 48 -15.349 -26.531 11.605 1.00 0.00 C ATOM 744 CG HIS A 48 -15.304 -27.839 10.877 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.201 -28.860 11.109 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.465 -28.288 9.915 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.914 -29.882 10.323 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.864 -29.560 9.588 1.00 0.00 N ATOM 0 H HIS A 48 -16.173 -26.113 8.917 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.016 -25.177 11.587 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.334 -26.147 11.709 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.731 -26.698 12.612 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -16.967 -28.831 11.782 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.636 -27.746 9.485 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.447 -30.821 10.287 1.00 0.00 H new ATOM 756 N LEU A 49 -15.279 -23.328 11.548 1.00 0.00 N ATOM 757 CA LEU A 49 -14.505 -22.105 11.365 1.00 0.00 C ATOM 758 C LEU A 49 -13.028 -22.346 11.659 1.00 0.00 C ATOM 759 O LEU A 49 -12.678 -22.974 12.659 1.00 0.00 O ATOM 760 CB LEU A 49 -15.043 -20.997 12.272 1.00 0.00 C ATOM 761 CG LEU A 49 -14.235 -19.699 12.297 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.322 -18.990 10.955 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.722 -18.790 13.416 1.00 0.00 C ATOM 0 H LEU A 49 -15.731 -23.409 12.459 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.603 -21.795 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.061 -20.762 11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.102 -21.384 13.289 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.190 -19.947 12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.741 -18.069 10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.924 -19.639 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.363 -18.754 10.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.136 -17.871 13.419 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.773 -18.550 13.258 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.606 -19.298 14.374 1.00 0.00 H new ATOM 775 N ILE A 50 -12.165 -21.843 10.782 1.00 0.00 N ATOM 776 CA ILE A 50 -10.726 -22.001 10.950 1.00 0.00 C ATOM 777 C ILE A 50 -10.046 -20.653 11.164 1.00 0.00 C ATOM 778 O ILE A 50 -9.092 -20.543 11.933 1.00 0.00 O ATOM 779 CB ILE A 50 -10.090 -22.697 9.731 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.069 -22.709 8.555 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.669 -24.114 10.091 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.446 -23.166 7.255 1.00 0.00 C ATOM 0 H ILE A 50 -12.438 -21.323 9.948 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.578 -22.624 11.832 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.202 -22.139 9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.907 -23.363 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.476 -21.707 8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.222 -24.593 9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.941 -24.082 10.902 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.542 -24.683 10.409 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.198 -23.149 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.626 -22.498 6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.064 -24.180 7.371 1.00 0.00 H new ATOM 794 N ALA A 51 -10.545 -19.630 10.479 1.00 0.00 N ATOM 795 CA ALA A 51 -9.989 -18.288 10.597 1.00 0.00 C ATOM 796 C ALA A 51 -11.049 -17.227 10.321 1.00 0.00 C ATOM 797 O ALA A 51 -11.321 -16.892 9.168 1.00 0.00 O ATOM 798 CB ALA A 51 -8.812 -18.119 9.647 1.00 0.00 C ATOM 0 H ALA A 51 -11.334 -19.705 9.836 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.639 -18.156 11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.406 -17.112 9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.039 -18.847 9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.147 -18.277 8.622 1.00 0.00 H new ATOM 804 N ASP A 52 -11.646 -16.703 11.386 1.00 0.00 N ATOM 805 CA ASP A 52 -12.677 -15.680 11.259 1.00 0.00 C ATOM 806 C ASP A 52 -12.072 -14.283 11.360 1.00 0.00 C ATOM 807 O ASP A 52 -11.628 -13.864 12.429 1.00 0.00 O ATOM 808 CB ASP A 52 -13.746 -15.866 12.338 1.00 0.00 C ATOM 809 CG ASP A 52 -14.535 -14.597 12.595 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.293 -14.178 11.696 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.394 -14.024 13.695 1.00 0.00 O ATOM 0 H ASP A 52 -11.433 -16.970 12.347 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.140 -15.786 10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.429 -16.660 12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.271 -16.189 13.264 1.00 0.00 H new ATOM 816 N HIS A 53 -12.058 -13.568 10.240 1.00 0.00 N ATOM 817 CA HIS A 53 -11.507 -12.218 10.202 1.00 0.00 C ATOM 818 C HIS A 53 -12.586 -11.200 9.845 1.00 0.00 C ATOM 819 O HIS A 53 -12.445 -10.008 10.120 1.00 0.00 O ATOM 820 CB HIS A 53 -10.362 -12.140 9.191 1.00 0.00 C ATOM 821 CG HIS A 53 -9.008 -12.048 9.825 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.083 -13.003 10.080 1.00 0.00 N flip ATOM 823 CD2 HIS A 53 -8.470 -10.863 10.281 1.00 0.00 C flip ATOM 824 CE1 HIS A 53 -7.013 -12.384 10.678 1.00 0.00 C flip ATOM 825 NE2 HIS A 53 -7.272 -11.093 10.787 1.00 0.00 N flip ATOM 0 H HIS A 53 -12.422 -13.901 9.347 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.123 -11.981 11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.394 -13.020 8.549 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.513 -11.272 8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.953 -9.898 10.232 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.107 -12.873 11.006 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.652 -10.393 11.193 1.00 0.00 H new ATOM 833 N LEU A 54 -13.664 -11.678 9.232 1.00 0.00 N ATOM 834 CA LEU A 54 -14.767 -10.810 8.838 1.00 0.00 C ATOM 835 C LEU A 54 -15.818 -10.729 9.941 1.00 0.00 C ATOM 836 O LEU A 54 -16.764 -9.945 9.856 1.00 0.00 O ATOM 837 CB LEU A 54 -15.407 -11.321 7.545 1.00 0.00 C ATOM 838 CG LEU A 54 -14.445 -11.633 6.398 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.170 -12.362 5.278 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.802 -10.356 5.878 1.00 0.00 C ATOM 0 H LEU A 54 -13.797 -12.662 8.997 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.367 -9.810 8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.972 -12.225 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.124 -10.576 7.199 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.657 -12.284 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.470 -12.576 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.581 -13.297 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.979 -11.737 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.121 -10.598 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.577 -9.680 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.247 -9.874 6.683 1.00 0.00 H new ATOM 852 N LYS A 55 -15.644 -11.542 10.977 1.00 0.00 N ATOM 853 CA LYS A 55 -16.574 -11.561 12.100 1.00 0.00 C ATOM 854 C LYS A 55 -18.011 -11.719 11.613 1.00 0.00 C ATOM 855 O LYS A 55 -18.903 -10.982 12.033 1.00 0.00 O ATOM 856 CB LYS A 55 -16.441 -10.276 12.920 1.00 0.00 C ATOM 857 CG LYS A 55 -15.144 -10.188 13.706 1.00 0.00 C ATOM 858 CD LYS A 55 -14.984 -8.829 14.367 1.00 0.00 C ATOM 859 CE LYS A 55 -15.573 -8.818 15.770 1.00 0.00 C ATOM 860 NZ LYS A 55 -14.938 -7.782 16.630 1.00 0.00 N ATOM 0 H LYS A 55 -14.867 -12.197 11.062 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.326 -12.415 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.509 -9.419 12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.281 -10.208 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.125 -10.968 14.467 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.301 -10.371 13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.927 -8.568 14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.474 -8.068 13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.646 -8.634 15.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.442 -9.799 16.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.367 -7.807 17.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.918 -7.972 16.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.085 -6.843 16.208 1.00 0.00 H new ATOM 874 N ILE A 56 -18.228 -12.686 10.728 1.00 0.00 N ATOM 875 CA ILE A 56 -19.557 -12.942 10.187 1.00 0.00 C ATOM 876 C ILE A 56 -20.434 -13.664 11.204 1.00 0.00 C ATOM 877 O ILE A 56 -21.566 -13.255 11.465 1.00 0.00 O ATOM 878 CB ILE A 56 -19.488 -13.781 8.898 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.672 -13.050 7.830 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.889 -14.083 8.387 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.114 -13.966 6.764 1.00 0.00 C ATOM 0 H ILE A 56 -17.501 -13.305 10.370 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.996 -11.972 9.956 1.00 0.00 H new ATOM 0 HB ILE A 56 -18.993 -14.725 9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.301 -12.296 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.849 -12.522 8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.824 -14.677 7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.440 -14.640 9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.408 -13.148 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.547 -13.380 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.459 -14.705 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -18.933 -14.475 6.256 1.00 0.00 H new ATOM 893 N PHE A 57 -19.904 -14.739 11.778 1.00 0.00 N ATOM 894 CA PHE A 57 -20.638 -15.518 12.768 1.00 0.00 C ATOM 895 C PHE A 57 -20.576 -14.852 14.139 1.00 0.00 C ATOM 896 O PHE A 57 -21.242 -15.283 15.081 1.00 0.00 O ATOM 897 CB PHE A 57 -20.073 -16.938 12.852 1.00 0.00 C ATOM 898 CG PHE A 57 -19.934 -17.608 11.514 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.048 -17.855 10.729 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.688 -17.990 11.043 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.924 -18.471 9.498 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.558 -18.606 9.812 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.677 -18.848 9.040 1.00 0.00 C ATOM 0 H PHE A 57 -18.968 -15.091 11.574 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.681 -15.567 12.454 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.097 -16.904 13.336 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.722 -17.542 13.486 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.026 -17.563 11.083 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.810 -17.805 11.643 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.801 -18.657 8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.582 -18.898 9.454 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.577 -19.331 8.079 1.00 0.00 H new ATOM 913 N HIS A 58 -19.771 -13.800 14.243 1.00 0.00 N ATOM 914 CA HIS A 58 -19.621 -13.073 15.499 1.00 0.00 C ATOM 915 C HIS A 58 -20.968 -12.549 15.988 1.00 0.00 C ATOM 916 O HIS A 58 -21.227 -12.502 17.190 1.00 0.00 O ATOM 917 CB HIS A 58 -18.640 -11.913 15.327 1.00 0.00 C ATOM 918 CG HIS A 58 -18.467 -11.087 16.565 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.831 -9.759 16.640 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.967 -11.408 17.781 1.00 0.00 C ATOM 921 CE1 HIS A 58 -18.560 -9.299 17.849 1.00 0.00 C ATOM 922 NE2 HIS A 58 -18.036 -10.280 18.561 1.00 0.00 N ATOM 0 H HIS A 58 -19.212 -13.432 13.473 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.228 -13.763 16.245 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.670 -12.309 15.026 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.987 -11.271 14.517 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -17.585 -12.372 18.082 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -18.737 -8.292 18.196 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -17.732 -10.211 19.532 1.00 0.00 H new ATOM 930 N ASP A 59 -21.820 -12.156 15.048 1.00 0.00 N ATOM 931 CA ASP A 59 -23.140 -11.635 15.383 1.00 0.00 C ATOM 932 C ASP A 59 -24.150 -12.769 15.533 1.00 0.00 C ATOM 933 O ASP A 59 -25.343 -12.531 15.720 1.00 0.00 O ATOM 934 CB ASP A 59 -23.613 -10.654 14.308 1.00 0.00 C ATOM 935 CG ASP A 59 -22.460 -9.953 13.617 1.00 0.00 C ATOM 936 OD1 ASP A 59 -22.028 -8.892 14.114 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.989 -10.465 12.580 1.00 0.00 O ATOM 0 H ASP A 59 -21.620 -12.188 14.048 1.00 0.00 H new ATOM 0 HA ASP A 59 -23.065 -11.110 16.335 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.206 -11.190 13.567 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.267 -9.910 14.762 1.00 0.00 H new ATOM 942 N HIS A 60 -23.663 -14.003 15.449 1.00 0.00 N ATOM 943 CA HIS A 60 -24.522 -15.175 15.575 1.00 0.00 C ATOM 944 C HIS A 60 -25.910 -14.893 15.008 1.00 0.00 C ATOM 945 O HIS A 60 -26.923 -15.148 15.662 1.00 0.00 O ATOM 946 CB HIS A 60 -24.633 -15.597 17.041 1.00 0.00 C ATOM 947 CG HIS A 60 -24.884 -14.454 17.976 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.988 -13.695 18.170 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -23.931 -13.972 18.848 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.685 -12.779 19.147 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.438 -12.968 19.540 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.678 -14.217 15.294 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.073 -15.988 15.004 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.441 -16.322 17.142 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.713 -16.102 17.336 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -22.927 -14.356 18.949 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.357 -12.026 19.532 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -23.950 -12.430 20.256 1.00 0.00 H new ATOM 959 N HIS A 61 -25.951 -14.366 13.788 1.00 0.00 N ATOM 960 CA HIS A 61 -27.215 -14.050 13.133 1.00 0.00 C ATOM 961 C HIS A 61 -27.199 -14.499 11.675 1.00 0.00 C ATOM 962 O HIS A 61 -28.108 -14.184 10.908 1.00 0.00 O ATOM 963 CB HIS A 61 -27.494 -12.549 13.213 1.00 0.00 C ATOM 964 CG HIS A 61 -28.535 -12.186 14.227 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.845 -11.911 13.894 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.455 -12.057 15.572 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.525 -11.625 14.990 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.705 -11.708 16.022 1.00 0.00 N ATOM 0 H HIS A 61 -25.123 -14.149 13.233 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.009 -14.588 13.652 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.567 -12.028 13.453 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.814 -12.195 12.233 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.573 -12.202 16.178 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.573 -11.367 15.034 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.959 -11.540 16.996 1.00 0.00 H new ATOM 976 N VAL A 62 -26.158 -15.237 11.300 1.00 0.00 N ATOM 977 CA VAL A 62 -26.024 -15.730 9.934 1.00 0.00 C ATOM 978 C VAL A 62 -25.580 -17.188 9.918 1.00 0.00 C ATOM 979 O VAL A 62 -24.762 -17.610 10.736 1.00 0.00 O ATOM 980 CB VAL A 62 -25.014 -14.888 9.131 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.637 -14.950 9.773 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.959 -15.360 7.686 1.00 0.00 C ATOM 0 H VAL A 62 -25.396 -15.506 11.923 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.006 -15.647 9.469 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.345 -13.850 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.937 -14.349 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.692 -14.561 10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.294 -15.984 9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.241 -14.755 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.652 -16.405 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.945 -15.258 7.232 1.00 0.00 H new ATOM 992 N THR A 63 -26.125 -17.956 8.979 1.00 0.00 N ATOM 993 CA THR A 63 -25.787 -19.369 8.856 1.00 0.00 C ATOM 994 C THR A 63 -24.806 -19.601 7.712 1.00 0.00 C ATOM 995 O THR A 63 -24.606 -18.730 6.865 1.00 0.00 O ATOM 996 CB THR A 63 -27.043 -20.229 8.622 1.00 0.00 C ATOM 997 OG1 THR A 63 -26.691 -21.617 8.612 1.00 0.00 O ATOM 998 CG2 THR A 63 -27.714 -19.861 7.308 1.00 0.00 C ATOM 0 H THR A 63 -26.802 -17.623 8.293 1.00 0.00 H new ATOM 0 HA THR A 63 -25.323 -19.666 9.796 1.00 0.00 H new ATOM 0 HB THR A 63 -27.744 -20.038 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 63 -27.495 -22.157 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.599 -20.482 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.007 -18.811 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.018 -20.026 6.485 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.195 -20.781 7.693 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.236 -21.129 6.652 1.00 0.00 C ATOM 1008 C VAL A 64 -23.853 -20.985 5.265 1.00 0.00 C ATOM 1009 O VAL A 64 -23.197 -20.535 4.327 1.00 0.00 O ATOM 1010 CB VAL A 64 -22.717 -22.569 6.824 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -21.631 -22.871 5.804 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.206 -22.785 8.240 1.00 0.00 C ATOM 0 H VAL A 64 -24.347 -21.513 8.387 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.400 -20.436 6.748 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.544 -23.258 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.277 -23.893 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -22.035 -22.759 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.801 -22.178 5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.843 -23.808 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.392 -22.089 8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.016 -22.614 8.949 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.120 -21.370 5.145 1.00 0.00 N ATOM 1023 CA GLU A 65 -25.826 -21.284 3.872 1.00 0.00 C ATOM 1024 C GLU A 65 -25.953 -19.833 3.417 1.00 0.00 C ATOM 1025 O GLU A 65 -25.846 -19.533 2.229 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.214 -21.917 3.989 1.00 0.00 C ATOM 1027 CG GLU A 65 -27.244 -23.390 3.619 1.00 0.00 C ATOM 1028 CD GLU A 65 -26.440 -24.249 4.575 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -25.194 -24.222 4.495 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -27.058 -24.949 5.405 1.00 0.00 O ATOM 0 H GLU A 65 -25.678 -21.744 5.913 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.247 -21.831 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.572 -21.801 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.907 -21.375 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.277 -23.737 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -26.854 -23.515 2.609 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.184 -18.938 4.373 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.327 -17.519 4.071 1.00 0.00 C ATOM 1039 C GLN A 66 -25.021 -16.941 3.535 1.00 0.00 C ATOM 1040 O GLN A 66 -25.026 -16.049 2.686 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.764 -16.752 5.320 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.270 -16.583 5.435 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.666 -15.613 6.531 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -28.814 -15.997 7.692 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.841 -14.348 6.168 1.00 0.00 N ATOM 0 H GLN A 66 -26.276 -19.171 5.362 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.092 -17.413 3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.397 -17.274 6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.296 -15.768 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.666 -16.231 4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.727 -17.553 5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.708 -14.074 5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -29.109 -13.651 6.862 1.00 0.00 H new ATOM 1054 N LEU A 67 -23.903 -17.455 4.037 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.588 -16.990 3.609 1.00 0.00 C ATOM 1056 C LEU A 67 -22.357 -17.295 2.132 1.00 0.00 C ATOM 1057 O LEU A 67 -21.916 -16.433 1.373 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.494 -17.645 4.454 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.090 -16.898 5.725 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -22.123 -17.111 6.821 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -19.713 -17.346 6.193 1.00 0.00 C ATOM 0 H LEU A 67 -23.881 -18.193 4.740 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.548 -15.910 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -21.829 -18.644 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.608 -17.769 3.832 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.046 -15.833 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.818 -16.572 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.091 -16.739 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.201 -18.175 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.442 -16.803 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.730 -18.416 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.979 -17.140 5.414 1.00 0.00 H new ATOM 1073 N MET A 68 -22.659 -18.526 1.733 1.00 0.00 N ATOM 1074 CA MET A 68 -22.487 -18.943 0.346 1.00 0.00 C ATOM 1075 C MET A 68 -23.536 -18.292 -0.551 1.00 0.00 C ATOM 1076 O MET A 68 -23.262 -17.964 -1.706 1.00 0.00 O ATOM 1077 CB MET A 68 -22.578 -20.466 0.234 1.00 0.00 C ATOM 1078 CG MET A 68 -23.899 -21.034 0.726 1.00 0.00 C ATOM 1079 SD MET A 68 -24.023 -22.816 0.479 1.00 0.00 S ATOM 1080 CE MET A 68 -22.485 -23.367 1.212 1.00 0.00 C ATOM 0 H MET A 68 -23.024 -19.252 2.350 1.00 0.00 H new ATOM 0 HA MET A 68 -21.500 -18.620 0.015 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.433 -20.755 -0.807 1.00 0.00 H new ATOM 0 HB3 MET A 68 -21.764 -20.913 0.805 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.015 -20.809 1.786 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.719 -20.541 0.204 1.00 0.00 H new ATOM 0 HE1 MET A 68 -22.513 -24.448 1.347 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.655 -23.105 0.556 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.349 -22.884 2.180 1.00 0.00 H new ATOM 1090 N LYS A 69 -24.737 -18.108 -0.013 1.00 0.00 N ATOM 1091 CA LYS A 69 -25.826 -17.496 -0.764 1.00 0.00 C ATOM 1092 C LYS A 69 -25.470 -16.072 -1.177 1.00 0.00 C ATOM 1093 O LYS A 69 -25.932 -15.579 -2.205 1.00 0.00 O ATOM 1094 CB LYS A 69 -27.108 -17.490 0.072 1.00 0.00 C ATOM 1095 CG LYS A 69 -28.217 -18.351 -0.510 1.00 0.00 C ATOM 1096 CD LYS A 69 -28.456 -19.594 0.330 1.00 0.00 C ATOM 1097 CE LYS A 69 -29.356 -19.298 1.520 1.00 0.00 C ATOM 1098 NZ LYS A 69 -30.747 -18.974 1.097 1.00 0.00 N ATOM 0 H LYS A 69 -24.981 -18.374 0.941 1.00 0.00 H new ATOM 0 HA LYS A 69 -25.989 -18.087 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -26.877 -17.840 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.466 -16.465 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -29.137 -17.769 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.957 -18.643 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.910 -20.370 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.502 -19.985 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -29.371 -20.160 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -28.945 -18.463 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -31.397 -19.127 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -30.796 -17.980 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -31.021 -19.589 0.304 1.00 0.00 H new ATOM 1112 N ALA A 70 -24.644 -15.415 -0.368 1.00 0.00 N ATOM 1113 CA ALA A 70 -24.223 -14.049 -0.652 1.00 0.00 C ATOM 1114 C ALA A 70 -23.348 -13.992 -1.900 1.00 0.00 C ATOM 1115 O ALA A 70 -23.350 -12.999 -2.626 1.00 0.00 O ATOM 1116 CB ALA A 70 -23.480 -13.467 0.542 1.00 0.00 C ATOM 0 H ALA A 70 -24.254 -15.807 0.489 1.00 0.00 H new ATOM 0 HA ALA A 70 -25.115 -13.451 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -23.171 -12.446 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -24.136 -13.463 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -22.600 -14.074 0.754 1.00 0.00 H new ATOM 1122 N ASN A 71 -22.601 -15.064 -2.143 1.00 0.00 N ATOM 1123 CA ASN A 71 -21.720 -15.135 -3.303 1.00 0.00 C ATOM 1124 C ASN A 71 -22.510 -15.461 -4.567 1.00 0.00 C ATOM 1125 O ASN A 71 -22.438 -14.738 -5.560 1.00 0.00 O ATOM 1126 CB ASN A 71 -20.633 -16.189 -3.081 1.00 0.00 C ATOM 1127 CG ASN A 71 -19.414 -15.623 -2.380 1.00 0.00 C ATOM 1128 OD1 ASN A 71 -19.335 -14.423 -2.119 1.00 0.00 O ATOM 1129 ND2 ASN A 71 -18.455 -16.489 -2.071 1.00 0.00 N ATOM 0 H ASN A 71 -22.588 -15.895 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 71 -21.250 -14.160 -3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -21.041 -17.009 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -20.334 -16.607 -4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -17.610 -16.167 -1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -18.563 -17.475 -2.307 1.00 0.00 H new ATOM 1136 N GLY A 72 -23.264 -16.555 -4.521 1.00 0.00 N ATOM 1137 CA GLY A 72 -24.058 -16.957 -5.667 1.00 0.00 C ATOM 1138 C GLY A 72 -23.482 -18.168 -6.374 1.00 0.00 C ATOM 1139 O GLY A 72 -23.511 -18.249 -7.602 1.00 0.00 O ATOM 0 H GLY A 72 -23.339 -17.170 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -25.074 -17.179 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.123 -16.126 -6.370 1.00 0.00 H new ATOM 1143 N GLU A 73 -22.955 -19.110 -5.598 1.00 0.00 N ATOM 1144 CA GLU A 73 -22.368 -20.321 -6.159 1.00 0.00 C ATOM 1145 C GLU A 73 -23.449 -21.243 -6.716 1.00 0.00 C ATOM 1146 O GLU A 73 -24.398 -21.595 -6.016 1.00 0.00 O ATOM 1147 CB GLU A 73 -21.552 -21.059 -5.095 1.00 0.00 C ATOM 1148 CG GLU A 73 -22.383 -21.548 -3.921 1.00 0.00 C ATOM 1149 CD GLU A 73 -21.535 -22.143 -2.814 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -20.418 -21.636 -2.584 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -21.990 -23.116 -2.177 1.00 0.00 O ATOM 0 H GLU A 73 -22.923 -19.058 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 73 -21.708 -20.029 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -21.055 -21.912 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -20.770 -20.396 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -22.965 -20.717 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.094 -22.296 -4.271 1.00 0.00 H new ATOM 1158 N GLN A 74 -23.297 -21.628 -7.979 1.00 0.00 N ATOM 1159 CA GLN A 74 -24.261 -22.507 -8.630 1.00 0.00 C ATOM 1160 C GLN A 74 -23.787 -23.957 -8.593 1.00 0.00 C ATOM 1161 O GLN A 74 -24.577 -24.873 -8.367 1.00 0.00 O ATOM 1162 CB GLN A 74 -24.486 -22.069 -10.078 1.00 0.00 C ATOM 1163 CG GLN A 74 -25.364 -20.835 -10.211 1.00 0.00 C ATOM 1164 CD GLN A 74 -25.727 -20.530 -11.651 1.00 0.00 C ATOM 1165 OE1 GLN A 74 -24.865 -20.510 -12.530 1.00 0.00 O ATOM 1166 NE2 GLN A 74 -27.009 -20.289 -11.900 1.00 0.00 N ATOM 0 H GLN A 74 -22.516 -21.345 -8.571 1.00 0.00 H new ATOM 0 HA GLN A 74 -25.203 -22.437 -8.086 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -23.520 -21.869 -10.543 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -24.942 -22.890 -10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -26.277 -20.979 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -24.846 -19.977 -9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -27.690 -20.316 -11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -27.313 -20.077 -12.850 1.00 0.00 H new ATOM 1175 N VAL A 75 -22.492 -24.157 -8.816 1.00 0.00 N ATOM 1176 CA VAL A 75 -21.913 -25.495 -8.808 1.00 0.00 C ATOM 1177 C VAL A 75 -22.120 -26.174 -7.459 1.00 0.00 C ATOM 1178 O VAL A 75 -22.030 -25.536 -6.410 1.00 0.00 O ATOM 1179 CB VAL A 75 -20.406 -25.456 -9.125 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -19.673 -24.572 -8.128 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -19.827 -26.863 -9.129 1.00 0.00 C ATOM 0 H VAL A 75 -21.824 -23.409 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 75 -22.425 -26.067 -9.582 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.272 -25.029 -10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.610 -24.557 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.071 -23.559 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.812 -24.966 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -18.762 -26.817 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.971 -27.319 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.333 -27.462 -9.886 1.00 0.00 H new ATOM 1191 N SER A 76 -22.397 -27.474 -7.493 1.00 0.00 N ATOM 1192 CA SER A 76 -22.620 -28.241 -6.273 1.00 0.00 C ATOM 1193 C SER A 76 -21.845 -29.554 -6.308 1.00 0.00 C ATOM 1194 O SER A 76 -22.195 -30.511 -5.618 1.00 0.00 O ATOM 1195 CB SER A 76 -24.113 -28.521 -6.087 1.00 0.00 C ATOM 1196 OG SER A 76 -24.734 -27.494 -5.334 1.00 0.00 O ATOM 0 H SER A 76 -22.472 -28.018 -8.353 1.00 0.00 H new ATOM 0 HA SER A 76 -22.261 -27.650 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 76 -24.595 -28.604 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 76 -24.247 -29.478 -5.583 1.00 0.00 H new ATOM 0 HG SER A 76 -25.688 -27.695 -5.230 1.00 0.00 H new ATOM 1202 N GLN A 77 -20.791 -29.591 -7.116 1.00 0.00 N ATOM 1203 CA GLN A 77 -19.966 -30.787 -7.242 1.00 0.00 C ATOM 1204 C GLN A 77 -18.822 -30.768 -6.233 1.00 0.00 C ATOM 1205 O GLN A 77 -18.279 -31.813 -5.875 1.00 0.00 O ATOM 1206 CB GLN A 77 -19.408 -30.901 -8.661 1.00 0.00 C ATOM 1207 CG GLN A 77 -20.482 -31.065 -9.725 1.00 0.00 C ATOM 1208 CD GLN A 77 -19.921 -31.543 -11.050 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -19.472 -32.683 -11.173 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -19.945 -30.672 -12.052 1.00 0.00 N ATOM 0 H GLN A 77 -20.488 -28.807 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 77 -20.594 -31.654 -7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -18.820 -30.011 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -18.728 -31.752 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -21.231 -31.775 -9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -20.991 -30.112 -9.872 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -20.326 -29.737 -11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -19.582 -30.938 -12.968 1.00 0.00 H new ATOM 1219 N ASP A 78 -18.461 -29.573 -5.779 1.00 0.00 N ATOM 1220 CA ASP A 78 -17.381 -29.417 -4.811 1.00 0.00 C ATOM 1221 C ASP A 78 -17.596 -30.329 -3.607 1.00 0.00 C ATOM 1222 O ASP A 78 -18.700 -30.823 -3.378 1.00 0.00 O ATOM 1223 CB ASP A 78 -17.284 -27.961 -4.353 1.00 0.00 C ATOM 1224 CG ASP A 78 -16.037 -27.694 -3.533 1.00 0.00 C ATOM 1225 OD1 ASP A 78 -14.927 -27.770 -4.099 1.00 0.00 O ATOM 1226 OD2 ASP A 78 -16.172 -27.409 -2.325 1.00 0.00 O ATOM 0 H ASP A 78 -18.900 -28.698 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.447 -29.699 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.288 -27.308 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.165 -27.710 -3.762 1.00 0.00 H new ATOM 1231 N VAL A 79 -16.532 -30.549 -2.841 1.00 0.00 N ATOM 1232 CA VAL A 79 -16.603 -31.401 -1.660 1.00 0.00 C ATOM 1233 C VAL A 79 -17.061 -30.612 -0.439 1.00 0.00 C ATOM 1234 O VAL A 79 -17.689 -31.158 0.467 1.00 0.00 O ATOM 1235 CB VAL A 79 -15.241 -32.053 -1.355 1.00 0.00 C ATOM 1236 CG1 VAL A 79 -14.755 -32.858 -2.550 1.00 0.00 C ATOM 1237 CG2 VAL A 79 -14.221 -30.995 -0.963 1.00 0.00 C ATOM 0 H VAL A 79 -15.611 -30.149 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 79 -17.331 -32.182 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.364 -32.736 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.792 -33.311 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.478 -33.641 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.647 -32.200 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.264 -31.473 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.099 -30.286 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.568 -30.467 -0.075 1.00 0.00 H new ATOM 1247 N GLY A 80 -16.743 -29.321 -0.422 1.00 0.00 N ATOM 1248 CA GLY A 80 -17.130 -28.476 0.692 1.00 0.00 C ATOM 1249 C GLY A 80 -16.045 -27.489 1.076 1.00 0.00 C ATOM 1250 O GLY A 80 -15.145 -27.816 1.849 1.00 0.00 O ATOM 0 H GLY A 80 -16.224 -28.845 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.037 -27.931 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.369 -29.101 1.552 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.130 -26.279 0.534 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.147 -25.241 0.824 1.00 0.00 C ATOM 1256 C ASP A 81 -15.732 -23.855 0.577 1.00 0.00 C ATOM 1257 O ASP A 81 -16.483 -23.647 -0.378 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.896 -25.441 -0.033 1.00 0.00 C ATOM 1259 CG ASP A 81 -14.044 -24.849 -1.421 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -13.926 -23.613 -1.554 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -14.279 -25.621 -2.374 1.00 0.00 O ATOM 0 H ASP A 81 -16.869 -25.993 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.873 -25.317 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.041 -24.983 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.683 -26.507 -0.117 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.385 -22.909 1.443 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.877 -21.541 1.319 1.00 0.00 C ATOM 1268 C LEU A 82 -14.885 -20.550 1.919 1.00 0.00 C ATOM 1269 O LEU A 82 -14.428 -20.721 3.048 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.235 -21.402 2.010 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.143 -20.289 1.487 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -18.401 -20.466 -0.002 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.455 -20.264 2.258 1.00 0.00 C ATOM 0 H LEU A 82 -14.765 -23.064 2.238 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.991 -21.316 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.766 -22.350 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.064 -21.234 3.073 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.639 -19.334 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.049 -19.665 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -17.455 -20.433 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -18.884 -21.427 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -20.089 -19.465 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.964 -21.220 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.253 -20.088 3.315 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.558 -19.512 1.155 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.621 -18.492 1.613 1.00 0.00 C ATOM 1287 C GLU A 83 -14.113 -17.096 1.243 1.00 0.00 C ATOM 1288 O GLU A 83 -14.619 -16.875 0.143 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.236 -18.733 1.009 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.267 -19.057 -0.476 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.463 -20.537 -0.745 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.778 -21.354 -0.096 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -13.301 -20.876 -1.606 1.00 0.00 O ATOM 0 H GLU A 83 -14.928 -19.355 0.217 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.553 -18.559 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.621 -17.847 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.755 -19.553 1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.072 -18.495 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.335 -18.728 -0.936 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.962 -16.157 2.171 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.392 -14.782 1.945 1.00 0.00 C ATOM 1302 C PHE A 84 -13.278 -13.799 2.294 1.00 0.00 C ATOM 1303 O PHE A 84 -12.607 -13.944 3.315 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.639 -14.472 2.775 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.791 -15.394 2.492 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.602 -15.192 1.387 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.064 -16.461 3.332 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.662 -16.039 1.123 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.123 -17.311 3.074 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.924 -17.099 1.969 1.00 0.00 C ATOM 0 H PHE A 84 -13.545 -16.323 3.087 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.631 -14.672 0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.386 -14.534 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.949 -13.445 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.404 -14.363 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -16.442 -16.631 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -19.285 -15.872 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -18.324 -18.140 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.753 -17.761 1.767 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.088 -12.800 1.438 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.055 -11.794 1.656 1.00 0.00 C ATOM 1322 C GLU A 85 -12.667 -10.478 2.127 1.00 0.00 C ATOM 1323 O GLU A 85 -11.995 -9.657 2.751 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.256 -11.566 0.371 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.856 -12.852 -0.334 1.00 0.00 C ATOM 1326 CD GLU A 85 -10.022 -12.602 -1.575 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.160 -11.700 -1.539 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -10.233 -13.309 -2.583 1.00 0.00 O ATOM 0 H GLU A 85 -13.635 -12.666 0.588 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.384 -12.161 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.848 -10.957 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.357 -10.997 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.294 -13.481 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.754 -13.405 -0.610 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.946 -10.286 1.825 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.651 -9.071 2.217 1.00 0.00 C ATOM 1337 C ASP A 86 -16.158 -9.242 2.061 1.00 0.00 C ATOM 1338 O ASP A 86 -16.685 -9.203 0.949 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.170 -7.884 1.380 1.00 0.00 C ATOM 1340 CG ASP A 86 -13.024 -7.139 2.036 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -13.236 -6.564 3.124 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -11.916 -7.132 1.462 1.00 0.00 O ATOM 0 H ASP A 86 -14.516 -10.956 1.310 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.433 -8.877 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.854 -8.239 0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.001 -7.197 1.218 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.846 -9.432 3.182 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.293 -9.610 3.168 1.00 0.00 C ATOM 1349 C ILE A 87 -18.975 -8.505 2.369 1.00 0.00 C ATOM 1350 O ILE A 87 -18.473 -7.386 2.256 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.871 -9.627 4.596 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.593 -8.296 5.298 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.285 -10.784 5.391 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -17.451 -8.363 6.289 1.00 0.00 C ATOM 0 H ILE A 87 -16.425 -9.467 4.111 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.489 -10.572 2.693 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.950 -9.765 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.368 -7.538 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.495 -7.973 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.703 -10.782 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.529 -11.725 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.202 -10.675 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.310 -7.385 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.682 -9.097 7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.537 -8.656 5.772 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.148 -8.822 1.802 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.926 -7.869 1.005 1.00 0.00 C ATOM 1368 C PRO A 88 -21.528 -6.756 1.857 1.00 0.00 C ATOM 1369 O PRO A 88 -21.180 -6.601 3.027 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.033 -8.735 0.397 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.179 -9.879 1.340 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.806 -10.136 1.896 1.00 0.00 C ATOM 0 HA PRO A 88 -20.310 -7.359 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.965 -8.178 0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.764 -9.077 -0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.884 -9.641 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.564 -10.761 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.849 -10.491 2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.275 -10.894 1.320 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.431 -5.986 1.262 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.083 -4.888 1.967 1.00 0.00 C ATOM 1382 C ASP A 89 -24.519 -5.251 2.330 1.00 0.00 C ATOM 1383 O ASP A 89 -25.093 -4.695 3.266 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.065 -3.621 1.110 1.00 0.00 C ATOM 1385 CG ASP A 89 -21.731 -2.903 1.166 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -20.837 -3.367 1.905 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -21.579 -1.878 0.469 1.00 0.00 O ATOM 0 H ASP A 89 -22.729 -6.101 0.293 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.531 -4.702 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.291 -3.882 0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.852 -2.946 1.447 1.00 0.00 H new ATOM 1392 N SER A 90 -25.095 -6.187 1.582 1.00 0.00 N ATOM 1393 CA SER A 90 -26.466 -6.621 1.821 1.00 0.00 C ATOM 1394 C SER A 90 -26.559 -7.447 3.100 1.00 0.00 C ATOM 1395 O SER A 90 -27.592 -7.462 3.770 1.00 0.00 O ATOM 1396 CB SER A 90 -26.979 -7.439 0.634 1.00 0.00 C ATOM 1397 OG SER A 90 -26.849 -6.716 -0.578 1.00 0.00 O ATOM 0 H SER A 90 -24.633 -6.659 0.805 1.00 0.00 H new ATOM 0 HA SER A 90 -27.087 -5.733 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.423 -8.374 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 90 -28.025 -7.702 0.794 1.00 0.00 H new ATOM 0 HG SER A 90 -27.182 -7.261 -1.321 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.471 -8.133 3.434 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.428 -8.963 4.633 1.00 0.00 C ATOM 1405 C LEU A 91 -25.262 -8.104 5.883 1.00 0.00 C ATOM 1406 O LEU A 91 -26.103 -8.129 6.782 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.282 -9.972 4.538 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.467 -11.104 3.527 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.281 -12.055 3.568 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.764 -11.853 3.798 1.00 0.00 C ATOM 0 H LEU A 91 -24.607 -8.131 2.892 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.373 -9.502 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.369 -9.432 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -24.130 -10.413 5.523 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.523 -10.670 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.430 -12.854 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.369 -11.510 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.193 -12.484 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.880 -12.655 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.737 -12.276 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.605 -11.165 3.717 1.00 0.00 H new ATOM 1422 N LYS A 92 -24.173 -7.344 5.933 1.00 0.00 N ATOM 1423 CA LYS A 92 -23.898 -6.475 7.070 1.00 0.00 C ATOM 1424 C LYS A 92 -25.097 -5.584 7.377 1.00 0.00 C ATOM 1425 O LYS A 92 -25.312 -5.190 8.523 1.00 0.00 O ATOM 1426 CB LYS A 92 -22.666 -5.611 6.791 1.00 0.00 C ATOM 1427 CG LYS A 92 -22.733 -4.864 5.470 1.00 0.00 C ATOM 1428 CD LYS A 92 -22.023 -3.523 5.551 1.00 0.00 C ATOM 1429 CE LYS A 92 -23.006 -2.366 5.466 1.00 0.00 C ATOM 1430 NZ LYS A 92 -23.649 -2.087 6.780 1.00 0.00 N ATOM 0 H LYS A 92 -23.466 -7.313 5.198 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.704 -7.105 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.547 -4.891 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -21.779 -6.245 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -22.280 -5.470 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -23.775 -4.709 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -21.466 -3.461 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.297 -3.445 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.487 -1.473 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.774 -2.595 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.312 -1.292 6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -24.166 -2.931 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.919 -1.843 7.479 1.00 0.00 H new ATOM 1444 N ASP A 93 -25.876 -5.272 6.347 1.00 0.00 N ATOM 1445 CA ASP A 93 -27.055 -4.430 6.507 1.00 0.00 C ATOM 1446 C ASP A 93 -27.999 -5.010 7.556 1.00 0.00 C ATOM 1447 O ASP A 93 -28.760 -4.282 8.192 1.00 0.00 O ATOM 1448 CB ASP A 93 -27.786 -4.279 5.172 1.00 0.00 C ATOM 1449 CG ASP A 93 -28.695 -3.066 5.143 1.00 0.00 C ATOM 1450 OD1 ASP A 93 -28.190 -1.941 5.340 1.00 0.00 O ATOM 1451 OD2 ASP A 93 -29.912 -3.242 4.922 1.00 0.00 O ATOM 0 H ASP A 93 -25.712 -5.590 5.392 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.726 -3.447 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -27.055 -4.200 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -28.375 -5.176 4.981 1.00 0.00 H new ATOM 1456 N VAL A 94 -27.945 -6.327 7.729 1.00 0.00 N ATOM 1457 CA VAL A 94 -28.795 -7.006 8.700 1.00 0.00 C ATOM 1458 C VAL A 94 -28.201 -6.925 10.102 1.00 0.00 C ATOM 1459 O VAL A 94 -28.914 -7.047 11.098 1.00 0.00 O ATOM 1460 CB VAL A 94 -29.001 -8.486 8.327 1.00 0.00 C ATOM 1461 CG1 VAL A 94 -27.812 -9.321 8.776 1.00 0.00 C ATOM 1462 CG2 VAL A 94 -30.293 -9.013 8.934 1.00 0.00 C ATOM 0 H VAL A 94 -27.322 -6.945 7.209 1.00 0.00 H new ATOM 0 HA VAL A 94 -29.759 -6.498 8.687 1.00 0.00 H new ATOM 0 HB VAL A 94 -29.078 -8.562 7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -27.976 -10.364 8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -26.907 -8.957 8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -27.699 -9.242 9.857 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -30.423 -10.060 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -30.248 -8.924 10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -31.135 -8.432 8.557 1.00 0.00 H new ATOM 1472 N LEU A 95 -26.891 -6.717 10.172 1.00 0.00 N ATOM 1473 CA LEU A 95 -26.199 -6.619 11.453 1.00 0.00 C ATOM 1474 C LEU A 95 -26.215 -5.184 11.971 1.00 0.00 C ATOM 1475 O LEU A 95 -25.709 -4.900 13.056 1.00 0.00 O ATOM 1476 CB LEU A 95 -24.756 -7.107 11.315 1.00 0.00 C ATOM 1477 CG LEU A 95 -24.530 -8.269 10.347 1.00 0.00 C ATOM 1478 CD1 LEU A 95 -23.044 -8.476 10.099 1.00 0.00 C ATOM 1479 CD2 LEU A 95 -25.166 -9.542 10.885 1.00 0.00 C ATOM 0 H LEU A 95 -26.286 -6.613 9.357 1.00 0.00 H new ATOM 0 HA LEU A 95 -26.722 -7.251 12.170 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -24.139 -6.268 10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -24.399 -7.407 12.300 1.00 0.00 H new ATOM 0 HG LEU A 95 -25.004 -8.023 9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -22.903 -9.307 9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.617 -7.570 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -22.545 -8.700 11.042 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -24.995 -10.359 10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -24.721 -9.792 11.848 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -26.238 -9.389 11.010 1.00 0.00 H new ATOM 1491 N GLY A 96 -26.803 -4.284 11.189 1.00 0.00 N ATOM 1492 CA GLY A 96 -26.876 -2.890 11.586 1.00 0.00 C ATOM 1493 C GLY A 96 -28.252 -2.295 11.363 1.00 0.00 C ATOM 1494 O GLY A 96 -28.381 -1.117 11.030 1.00 0.00 O ATOM 0 H GLY A 96 -27.230 -4.495 10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -26.612 -2.801 12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -26.140 -2.316 11.023 1.00 0.00 H new ATOM 1498 N LYS A 97 -29.285 -3.111 11.545 1.00 0.00 N ATOM 1499 CA LYS A 97 -30.659 -2.660 11.361 1.00 0.00 C ATOM 1500 C LYS A 97 -31.415 -2.665 12.686 1.00 0.00 C ATOM 1501 O LYS A 97 -32.619 -2.408 12.725 1.00 0.00 O ATOM 1502 CB LYS A 97 -31.379 -3.552 10.347 1.00 0.00 C ATOM 1503 CG LYS A 97 -30.984 -5.016 10.437 1.00 0.00 C ATOM 1504 CD LYS A 97 -31.382 -5.621 11.773 1.00 0.00 C ATOM 1505 CE LYS A 97 -32.886 -5.557 11.988 1.00 0.00 C ATOM 1506 NZ LYS A 97 -33.633 -6.218 10.882 1.00 0.00 N ATOM 0 H LYS A 97 -29.196 -4.089 11.820 1.00 0.00 H new ATOM 0 HA LYS A 97 -30.632 -1.638 10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -32.455 -3.465 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -31.168 -3.188 9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -31.459 -5.572 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -29.907 -5.112 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -31.051 -6.659 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -30.875 -5.091 12.579 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -33.138 -6.036 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -33.198 -4.515 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -34.425 -6.765 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -34.001 -5.495 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -32.995 -6.856 10.365 1.00 0.00 H new ATOM 1520 N TYR A 98 -30.702 -2.957 13.767 1.00 0.00 N ATOM 1521 CA TYR A 98 -31.306 -2.996 15.094 1.00 0.00 C ATOM 1522 C TYR A 98 -31.048 -1.696 15.849 1.00 0.00 C ATOM 1523 O TYR A 98 -31.940 -1.155 16.501 1.00 0.00 O ATOM 1524 CB TYR A 98 -30.759 -4.180 15.892 1.00 0.00 C ATOM 1525 CG TYR A 98 -31.623 -5.418 15.809 1.00 0.00 C ATOM 1526 CD1 TYR A 98 -32.899 -5.437 16.357 1.00 0.00 C ATOM 1527 CD2 TYR A 98 -31.162 -6.569 15.182 1.00 0.00 C ATOM 1528 CE1 TYR A 98 -33.692 -6.566 16.283 1.00 0.00 C ATOM 1529 CE2 TYR A 98 -31.948 -7.703 15.103 1.00 0.00 C ATOM 1530 CZ TYR A 98 -33.212 -7.696 15.655 1.00 0.00 C ATOM 1531 OH TYR A 98 -33.998 -8.823 15.579 1.00 0.00 O ATOM 0 H TYR A 98 -29.705 -3.170 13.751 1.00 0.00 H new ATOM 0 HA TYR A 98 -32.382 -3.116 14.972 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -29.759 -4.420 15.530 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -30.658 -3.887 16.937 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -33.278 -4.554 16.850 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -30.173 -6.578 14.749 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -34.682 -6.564 16.714 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -31.575 -8.589 14.612 1.00 0.00 H new ATOM 0 HH TYR A 98 -33.512 -9.529 15.104 1.00 0.00 H new ATOM 1541 N ALA A 99 -29.818 -1.199 15.754 1.00 0.00 N ATOM 1542 CA ALA A 99 -29.441 0.039 16.425 1.00 0.00 C ATOM 1543 C ALA A 99 -29.682 1.246 15.525 1.00 0.00 C ATOM 1544 O ALA A 99 -30.193 1.113 14.413 1.00 0.00 O ATOM 1545 CB ALA A 99 -27.983 -0.018 16.856 1.00 0.00 C ATOM 0 H ALA A 99 -29.067 -1.635 15.219 1.00 0.00 H new ATOM 0 HA ALA A 99 -30.066 0.149 17.311 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -27.715 0.913 17.356 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -27.839 -0.853 17.542 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -27.350 -0.155 15.980 1.00 0.00 H new ATOM 1551 N LYS A 100 -29.313 2.425 16.014 1.00 0.00 N ATOM 1552 CA LYS A 100 -29.488 3.658 15.255 1.00 0.00 C ATOM 1553 C LYS A 100 -28.612 3.657 14.006 1.00 0.00 C ATOM 1554 O LYS A 100 -29.115 3.681 12.883 1.00 0.00 O ATOM 1555 CB LYS A 100 -29.152 4.870 16.126 1.00 0.00 C ATOM 1556 CG LYS A 100 -27.806 4.764 16.823 1.00 0.00 C ATOM 1557 CD LYS A 100 -27.218 6.135 17.110 1.00 0.00 C ATOM 1558 CE LYS A 100 -26.354 6.624 15.957 1.00 0.00 C ATOM 1559 NZ LYS A 100 -26.087 8.086 16.045 1.00 0.00 N ATOM 0 H LYS A 100 -28.890 2.553 16.934 1.00 0.00 H new ATOM 0 HA LYS A 100 -30.531 3.719 14.946 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -29.161 5.766 15.506 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -29.932 4.994 16.877 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -27.921 4.214 17.757 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -27.116 4.194 16.200 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -28.023 6.847 17.290 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -26.621 6.092 18.021 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -25.409 6.082 15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -26.850 6.402 15.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -25.495 8.380 15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -26.988 8.605 16.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -25.591 8.295 16.935 1.00 0.00 H new TER 1573 LYS A 100 HETATM 1574 ZN ZN A 101 -15.646 -34.347 11.383 1.00 0.00 ZN