USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot 154:sc= 0.607 USER MOD Set 1.2: A 78 THR OG1 : rot -170:sc= -0.0222 USER MOD Set 1.3: A 110 HEC O2A : rot 173:sc= 2.06 USER MOD Single : A 1 GLY N :NH3+ 170:sc= 1.23 (180deg=1.12) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -119:sc= 1.04 (180deg=-0.889!) USER MOD Single : A 12 GLN : amide:sc=-0.00697 X(o=-0.007,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.15) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.527 K(o=-0.53,f=-6.5!) USER MOD Single : A 33 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -91:sc= 0.387 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.014 F(o=-0.69,f=-0.014) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0564 USER MOD Single : A 52 ASN : amide:sc= 0.454 K(o=0.45,f=-7.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0737 X(o=-0.074,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.69 (180deg=-1.84) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= 1.15 (180deg=-0.063) USER MOD Single : A 63 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.877) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0.823) USER MOD Single : A 74 TYR OH : rot 29:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= -1.97 (180deg=-3.54!) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.195 (180deg=-0.196) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -81:sc= 1.1 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 110 HEC O2D : rot 165:sc= -0.639 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.623 -3.962 -15.042 1.00 10.00 N ATOM 2 CA GLY A 1 -4.295 -4.041 -14.467 1.00 10.00 C ATOM 3 C GLY A 1 -3.739 -5.412 -14.821 1.00 10.00 C ATOM 4 O GLY A 1 -4.429 -6.414 -14.633 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.106 -3.113 -14.685 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.550 -3.908 -16.078 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.167 -4.808 -14.777 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.656 -3.252 -14.862 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.334 -3.908 -13.386 1.00 10.00 H new ATOM 10 N ASP A 2 -2.547 -5.449 -15.395 1.00 10.00 N ATOM 11 CA ASP A 2 -1.781 -6.663 -15.632 1.00 10.00 C ATOM 12 C ASP A 2 -1.280 -7.237 -14.297 1.00 10.00 C ATOM 13 O ASP A 2 -0.498 -6.592 -13.603 1.00 10.00 O ATOM 14 CB ASP A 2 -0.587 -6.322 -16.527 1.00 10.00 C ATOM 15 CG ASP A 2 0.110 -7.565 -17.051 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.293 -8.497 -16.239 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.502 -7.556 -18.234 1.00 10.00 O ATOM 0 H ASP A 2 -2.070 -4.608 -15.719 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.412 -7.407 -16.118 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.926 -5.716 -17.367 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.125 -5.718 -15.965 1.00 10.00 H new ATOM 22 N VAL A 3 -1.697 -8.452 -13.932 1.00 10.00 N ATOM 23 CA VAL A 3 -1.188 -9.138 -12.746 1.00 10.00 C ATOM 24 C VAL A 3 0.309 -9.449 -12.889 1.00 10.00 C ATOM 25 O VAL A 3 1.067 -9.304 -11.929 1.00 10.00 O ATOM 26 CB VAL A 3 -2.016 -10.415 -12.489 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.389 -11.322 -11.420 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.437 -10.055 -12.036 1.00 10.00 C ATOM 0 H VAL A 3 -2.395 -8.985 -14.450 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.294 -8.482 -11.882 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.037 -10.956 -13.435 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.013 -12.205 -11.280 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.394 -11.629 -11.741 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.315 -10.777 -10.479 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.005 -10.968 -11.860 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.389 -9.474 -11.115 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.928 -9.466 -12.811 1.00 10.00 H new ATOM 38 N GLU A 4 0.749 -9.897 -14.067 1.00 10.00 N ATOM 39 CA GLU A 4 2.130 -10.281 -14.287 1.00 10.00 C ATOM 40 C GLU A 4 3.024 -9.054 -14.257 1.00 10.00 C ATOM 41 O GLU A 4 4.053 -9.066 -13.585 1.00 10.00 O ATOM 42 CB GLU A 4 2.291 -11.017 -15.624 1.00 10.00 C ATOM 43 CG GLU A 4 2.376 -12.534 -15.407 1.00 10.00 C ATOM 44 CD GLU A 4 3.674 -12.934 -14.710 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.727 -12.794 -15.373 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.634 -13.288 -13.511 1.00 10.00 O ATOM 0 H GLU A 4 0.153 -10.001 -14.888 1.00 10.00 H new ATOM 0 HA GLU A 4 2.426 -10.959 -13.487 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.448 -10.785 -16.275 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.191 -10.667 -16.130 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.526 -12.864 -14.810 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.307 -13.043 -16.368 1.00 10.00 H new ATOM 53 N LYS A 5 2.679 -8.001 -14.997 1.00 10.00 N ATOM 54 CA LYS A 5 3.459 -6.781 -14.883 1.00 10.00 C ATOM 55 C LYS A 5 3.349 -6.240 -13.461 1.00 10.00 C ATOM 56 O LYS A 5 4.373 -5.928 -12.866 1.00 10.00 O ATOM 57 CB LYS A 5 3.177 -5.747 -15.970 1.00 10.00 C ATOM 58 CG LYS A 5 3.637 -6.246 -17.347 1.00 10.00 C ATOM 59 CD LYS A 5 4.296 -5.129 -18.170 1.00 10.00 C ATOM 60 CE LYS A 5 5.775 -4.957 -17.784 1.00 10.00 C ATOM 61 NZ LYS A 5 6.449 -3.926 -18.601 1.00 10.00 N ATOM 0 H LYS A 5 1.899 -7.969 -15.653 1.00 10.00 H new ATOM 0 HA LYS A 5 4.503 -7.034 -15.069 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.110 -5.528 -15.998 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.688 -4.815 -15.729 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.343 -7.067 -17.219 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.782 -6.643 -17.894 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.219 -5.361 -19.232 1.00 10.00 H new ATOM 0 HD3 LYS A 5 3.763 -4.192 -18.009 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.845 -4.686 -16.730 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.293 -5.909 -17.903 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.443 -3.844 -18.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.407 -4.196 -19.605 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.972 -3.011 -18.468 1.00 10.00 H new ATOM 75 N GLY A 6 2.149 -6.205 -12.881 1.00 10.00 N ATOM 76 CA GLY A 6 1.927 -5.813 -11.498 1.00 10.00 C ATOM 77 C GLY A 6 2.885 -6.491 -10.516 1.00 10.00 C ATOM 78 O GLY A 6 3.444 -5.833 -9.637 1.00 10.00 O ATOM 0 H GLY A 6 1.291 -6.454 -13.373 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.035 -4.732 -11.412 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.901 -6.054 -11.219 1.00 10.00 H new ATOM 82 N LYS A 7 3.079 -7.808 -10.665 1.00 10.00 N ATOM 83 CA LYS A 7 3.947 -8.604 -9.822 1.00 10.00 C ATOM 84 C LYS A 7 5.337 -7.999 -9.896 1.00 10.00 C ATOM 85 O LYS A 7 5.958 -7.692 -8.881 1.00 10.00 O ATOM 86 CB LYS A 7 3.912 -10.062 -10.315 1.00 10.00 C ATOM 87 CG LYS A 7 4.763 -11.025 -9.478 1.00 10.00 C ATOM 88 CD LYS A 7 4.783 -12.416 -10.140 1.00 10.00 C ATOM 89 CE LYS A 7 4.483 -13.532 -9.130 1.00 10.00 C ATOM 90 NZ LYS A 7 4.559 -14.870 -9.756 1.00 10.00 N ATOM 0 H LYS A 7 2.620 -8.352 -11.396 1.00 10.00 H new ATOM 0 HA LYS A 7 3.625 -8.605 -8.781 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.879 -10.411 -10.313 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.257 -10.093 -11.349 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.779 -10.641 -9.387 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.358 -11.099 -8.469 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.048 -12.446 -10.944 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.759 -12.589 -10.593 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.192 -13.476 -8.304 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.489 -13.383 -8.708 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.351 -15.599 -9.044 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.865 -14.932 -10.528 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.515 -15.021 -10.137 1.00 10.00 H new ATOM 104 N LYS A 8 5.822 -7.813 -11.121 1.00 10.00 N ATOM 105 CA LYS A 8 7.159 -7.313 -11.327 1.00 10.00 C ATOM 106 C LYS A 8 7.258 -5.887 -10.788 1.00 10.00 C ATOM 107 O LYS A 8 8.181 -5.587 -10.045 1.00 10.00 O ATOM 108 CB LYS A 8 7.591 -7.443 -12.796 1.00 10.00 C ATOM 109 CG LYS A 8 8.093 -8.852 -13.167 1.00 10.00 C ATOM 110 CD LYS A 8 7.125 -9.962 -12.735 1.00 10.00 C ATOM 111 CE LYS A 8 7.145 -11.221 -13.607 1.00 10.00 C ATOM 112 NZ LYS A 8 6.441 -10.995 -14.886 1.00 10.00 N ATOM 0 H LYS A 8 5.303 -8.003 -11.978 1.00 10.00 H new ATOM 0 HA LYS A 8 7.866 -7.924 -10.767 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.749 -7.185 -13.438 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.380 -6.719 -13.000 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.243 -8.907 -14.245 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.064 -9.021 -12.701 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.358 -10.246 -11.709 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.113 -9.558 -12.731 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.176 -11.515 -13.803 1.00 10.00 H new ATOM 0 HE3 LYS A 8 6.675 -12.046 -13.071 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 5.635 -11.649 -14.959 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 6.096 -10.015 -14.924 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.095 -11.162 -15.677 1.00 10.00 H new ATOM 126 N ILE A 9 6.306 -5.011 -11.111 1.00 10.00 N ATOM 127 CA ILE A 9 6.288 -3.640 -10.640 1.00 10.00 C ATOM 128 C ILE A 9 6.421 -3.613 -9.121 1.00 10.00 C ATOM 129 O ILE A 9 7.331 -2.975 -8.600 1.00 10.00 O ATOM 130 CB ILE A 9 5.013 -2.934 -11.133 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.024 -2.761 -12.662 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.869 -1.558 -10.481 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.655 -2.323 -13.194 1.00 10.00 C ATOM 0 H ILE A 9 5.518 -5.244 -11.716 1.00 10.00 H new ATOM 0 HA ILE A 9 7.138 -3.093 -11.049 1.00 10.00 H new ATOM 0 HB ILE A 9 4.169 -3.564 -10.852 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.775 -2.021 -12.939 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.313 -3.701 -13.132 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.961 -1.077 -10.844 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.811 -1.673 -9.399 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.732 -0.943 -10.735 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.704 -2.212 -14.277 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.908 -3.075 -12.940 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.378 -1.370 -12.744 1.00 10.00 H new ATOM 145 N PHE A 10 5.547 -4.322 -8.409 1.00 10.00 N ATOM 146 CA PHE A 10 5.633 -4.434 -6.961 1.00 10.00 C ATOM 147 C PHE A 10 7.072 -4.746 -6.515 1.00 10.00 C ATOM 148 O PHE A 10 7.629 -4.072 -5.643 1.00 10.00 O ATOM 149 CB PHE A 10 4.645 -5.507 -6.500 1.00 10.00 C ATOM 150 CG PHE A 10 4.727 -5.782 -5.020 1.00 10.00 C ATOM 151 CD1 PHE A 10 4.207 -4.849 -4.107 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.412 -6.919 -4.556 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.320 -5.082 -2.730 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.533 -7.149 -3.178 1.00 10.00 C ATOM 155 CZ PHE A 10 4.972 -6.238 -2.269 1.00 10.00 C ATOM 0 H PHE A 10 4.765 -4.831 -8.820 1.00 10.00 H new ATOM 0 HA PHE A 10 5.368 -3.484 -6.497 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.632 -5.193 -6.751 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.837 -6.430 -7.047 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.721 -3.954 -4.466 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.844 -7.614 -5.260 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.907 -4.375 -2.025 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.055 -8.023 -2.818 1.00 10.00 H new ATOM 0 HZ PHE A 10 5.042 -6.427 -1.208 1.00 10.00 H new ATOM 165 N VAL A 11 7.688 -5.739 -7.164 1.00 10.00 N ATOM 166 CA VAL A 11 9.048 -6.184 -6.879 1.00 10.00 C ATOM 167 C VAL A 11 10.110 -5.165 -7.325 1.00 10.00 C ATOM 168 O VAL A 11 11.231 -5.166 -6.822 1.00 10.00 O ATOM 169 CB VAL A 11 9.275 -7.568 -7.512 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.698 -8.094 -7.284 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.297 -8.575 -6.905 1.00 10.00 C ATOM 0 H VAL A 11 7.243 -6.264 -7.917 1.00 10.00 H new ATOM 0 HA VAL A 11 9.161 -6.266 -5.798 1.00 10.00 H new ATOM 0 HB VAL A 11 9.117 -7.454 -8.584 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.803 -9.073 -7.751 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.416 -7.403 -7.725 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.887 -8.180 -6.214 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.458 -9.555 -7.354 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.460 -8.637 -5.829 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.274 -8.251 -7.099 1.00 10.00 H new ATOM 181 N GLN A 12 9.791 -4.310 -8.293 1.00 10.00 N ATOM 182 CA GLN A 12 10.709 -3.332 -8.860 1.00 10.00 C ATOM 183 C GLN A 12 10.541 -1.956 -8.218 1.00 10.00 C ATOM 184 O GLN A 12 11.332 -1.058 -8.503 1.00 10.00 O ATOM 185 CB GLN A 12 10.486 -3.262 -10.370 1.00 10.00 C ATOM 186 CG GLN A 12 10.846 -4.604 -11.035 1.00 10.00 C ATOM 187 CD GLN A 12 12.341 -4.750 -11.285 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.832 -4.395 -12.350 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.074 -5.289 -10.315 1.00 10.00 N ATOM 0 H GLN A 12 8.863 -4.279 -8.714 1.00 10.00 H new ATOM 0 HA GLN A 12 11.731 -3.649 -8.654 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.445 -3.015 -10.578 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.094 -2.464 -10.796 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.506 -5.423 -10.401 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.313 -4.691 -11.982 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.633 -5.574 -9.440 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.077 -5.418 -10.446 1.00 10.00 H new ATOM 198 N LYS A 13 9.506 -1.770 -7.393 1.00 10.00 N ATOM 199 CA LYS A 13 9.215 -0.499 -6.748 1.00 10.00 C ATOM 200 C LYS A 13 9.286 -0.614 -5.224 1.00 10.00 C ATOM 201 O LYS A 13 9.871 0.258 -4.584 1.00 10.00 O ATOM 202 CB LYS A 13 7.837 0.016 -7.189 1.00 10.00 C ATOM 203 CG LYS A 13 7.681 0.148 -8.712 1.00 10.00 C ATOM 204 CD LYS A 13 8.489 1.300 -9.325 1.00 10.00 C ATOM 205 CE LYS A 13 7.622 2.564 -9.430 1.00 10.00 C ATOM 206 NZ LYS A 13 8.398 3.763 -9.806 1.00 10.00 N ATOM 0 H LYS A 13 8.844 -2.509 -7.156 1.00 10.00 H new ATOM 0 HA LYS A 13 9.975 0.218 -7.058 1.00 10.00 H new ATOM 0 HB2 LYS A 13 7.069 -0.660 -6.812 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.659 0.988 -6.730 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.988 -0.787 -9.181 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.627 0.292 -8.948 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.367 1.503 -8.712 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.849 1.015 -10.314 1.00 10.00 H new ATOM 0 HE2 LYS A 13 6.837 2.400 -10.168 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.129 2.741 -8.474 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 7.758 4.480 -10.203 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 8.870 4.149 -8.964 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.113 3.505 -10.516 1.00 10.00 H new ATOM 220 N CYS A 14 8.656 -1.641 -4.641 1.00 10.00 N ATOM 221 CA CYS A 14 8.472 -1.745 -3.197 1.00 10.00 C ATOM 222 C CYS A 14 9.343 -2.893 -2.663 1.00 10.00 C ATOM 223 O CYS A 14 10.359 -2.646 -2.019 1.00 10.00 O ATOM 224 CB CYS A 14 6.996 -1.873 -2.840 1.00 10.00 C ATOM 225 SG CYS A 14 5.838 -1.313 -4.150 1.00 10.00 S ATOM 0 H CYS A 14 8.260 -2.423 -5.163 1.00 10.00 H new ATOM 0 HA CYS A 14 8.804 -0.830 -2.706 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.782 -2.916 -2.606 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.804 -1.298 -1.934 1.00 10.00 H new ATOM 230 N ALA A 15 8.958 -4.140 -2.961 1.00 10.00 N ATOM 231 CA ALA A 15 9.610 -5.402 -2.600 1.00 10.00 C ATOM 232 C ALA A 15 10.251 -5.487 -1.213 1.00 10.00 C ATOM 233 O ALA A 15 9.720 -6.141 -0.322 1.00 10.00 O ATOM 234 CB ALA A 15 10.611 -5.816 -3.684 1.00 10.00 C ATOM 0 H ALA A 15 8.112 -4.304 -3.506 1.00 10.00 H new ATOM 0 HA ALA A 15 8.782 -6.108 -2.538 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.087 -6.755 -3.401 1.00 10.00 H new ATOM 0 HB2 ALA A 15 10.088 -5.945 -4.632 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.371 -5.042 -3.792 1.00 10.00 H new ATOM 240 N GLN A 16 11.410 -4.865 -0.997 1.00 10.00 N ATOM 241 CA GLN A 16 12.107 -4.904 0.277 1.00 10.00 C ATOM 242 C GLN A 16 11.462 -3.908 1.240 1.00 10.00 C ATOM 243 O GLN A 16 12.138 -3.111 1.887 1.00 10.00 O ATOM 244 CB GLN A 16 13.604 -4.655 0.048 1.00 10.00 C ATOM 245 CG GLN A 16 14.333 -5.940 -0.382 1.00 10.00 C ATOM 246 CD GLN A 16 15.533 -6.229 0.519 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.396 -6.306 1.740 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.716 -6.393 -0.067 1.00 10.00 N ATOM 0 H GLN A 16 11.891 -4.317 -1.711 1.00 10.00 H new ATOM 0 HA GLN A 16 12.021 -5.887 0.740 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.733 -3.889 -0.717 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.054 -4.270 0.963 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.641 -6.781 -0.349 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.667 -5.842 -1.415 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.797 -6.323 -1.081 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.542 -6.589 0.498 1.00 10.00 H new ATOM 257 N CYS A 17 10.140 -4.008 1.377 1.00 10.00 N ATOM 258 CA CYS A 17 9.386 -3.315 2.395 1.00 10.00 C ATOM 259 C CYS A 17 8.037 -3.994 2.584 1.00 10.00 C ATOM 260 O CYS A 17 7.650 -4.200 3.726 1.00 10.00 O ATOM 261 CB CYS A 17 9.254 -1.838 2.109 1.00 10.00 C ATOM 262 SG CYS A 17 9.146 -0.993 3.715 1.00 10.00 S ATOM 0 H CYS A 17 9.562 -4.586 0.767 1.00 10.00 H new ATOM 0 HA CYS A 17 9.936 -3.378 3.334 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.111 -1.477 1.540 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.366 -1.639 1.508 1.00 10.00 H new ATOM 267 N HIS A 18 7.336 -4.359 1.501 1.00 10.00 N ATOM 268 CA HIS A 18 6.071 -5.074 1.595 1.00 10.00 C ATOM 269 C HIS A 18 6.237 -6.480 1.074 1.00 10.00 C ATOM 270 O HIS A 18 7.072 -6.728 0.211 1.00 10.00 O ATOM 271 CB HIS A 18 5.015 -4.399 0.734 1.00 10.00 C ATOM 272 CG HIS A 18 4.422 -3.205 1.399 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.576 -3.206 2.487 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.577 -1.924 0.966 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.207 -1.928 2.674 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.801 -1.112 1.783 1.00 10.00 N ATOM 0 H HIS A 18 7.634 -4.165 0.545 1.00 10.00 H new ATOM 0 HA HIS A 18 5.766 -5.077 2.642 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.460 -4.100 -0.215 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.225 -5.114 0.504 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.288 -4.014 3.039 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.191 -1.599 0.139 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.522 -1.598 3.441 1.00 10.00 H new ATOM 284 N THR A 19 5.358 -7.364 1.535 1.00 10.00 N ATOM 285 CA THR A 19 5.430 -8.768 1.201 1.00 10.00 C ATOM 286 C THR A 19 4.216 -9.235 0.416 1.00 10.00 C ATOM 287 O THR A 19 4.366 -9.936 -0.579 1.00 10.00 O ATOM 288 CB THR A 19 5.631 -9.555 2.490 1.00 10.00 C ATOM 289 OG1 THR A 19 6.646 -8.956 3.276 1.00 10.00 O ATOM 290 CG2 THR A 19 6.003 -10.984 2.130 1.00 10.00 C ATOM 0 H THR A 19 4.580 -7.121 2.149 1.00 10.00 H new ATOM 0 HA THR A 19 6.278 -8.943 0.538 1.00 10.00 H new ATOM 0 HB THR A 19 4.712 -9.554 3.075 1.00 10.00 H new ATOM 0 HG1 THR A 19 6.765 -9.469 4.102 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.151 -11.562 3.042 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.201 -11.432 1.542 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.924 -10.984 1.547 1.00 10.00 H new ATOM 298 N VAL A 20 3.028 -8.839 0.873 1.00 10.00 N ATOM 299 CA VAL A 20 1.756 -9.186 0.266 1.00 10.00 C ATOM 300 C VAL A 20 1.653 -10.701 0.097 1.00 10.00 C ATOM 301 O VAL A 20 1.178 -11.157 -0.935 1.00 10.00 O ATOM 302 CB VAL A 20 1.491 -8.379 -1.032 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.574 -6.868 -0.762 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.381 -8.689 -2.245 1.00 10.00 C ATOM 0 H VAL A 20 2.928 -8.251 1.700 1.00 10.00 H new ATOM 0 HA VAL A 20 0.948 -8.892 0.936 1.00 10.00 H new ATOM 0 HB VAL A 20 0.488 -8.704 -1.310 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.385 -6.322 -1.686 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.828 -6.590 -0.017 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.568 -6.619 -0.391 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.089 -8.055 -3.082 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.423 -8.496 -1.990 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.263 -9.736 -2.524 1.00 10.00 H new ATOM 314 N GLU A 21 2.085 -11.471 1.106 1.00 10.00 N ATOM 315 CA GLU A 21 1.936 -12.918 1.066 1.00 10.00 C ATOM 316 C GLU A 21 2.000 -13.554 2.455 1.00 10.00 C ATOM 317 O GLU A 21 2.383 -12.924 3.441 1.00 10.00 O ATOM 318 CB GLU A 21 2.902 -13.581 0.070 1.00 10.00 C ATOM 319 CG GLU A 21 4.359 -13.681 0.562 1.00 10.00 C ATOM 320 CD GLU A 21 5.043 -14.995 0.191 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.345 -16.032 0.164 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.272 -14.940 -0.032 1.00 10.00 O ATOM 0 H GLU A 21 2.535 -11.113 1.948 1.00 10.00 H new ATOM 0 HA GLU A 21 0.931 -13.110 0.691 1.00 10.00 H new ATOM 0 HB2 GLU A 21 2.539 -14.583 -0.156 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.885 -13.018 -0.863 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.932 -12.853 0.145 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.376 -13.566 1.646 1.00 10.00 H new ATOM 329 N LYS A 22 1.619 -14.823 2.551 1.00 10.00 N ATOM 330 CA LYS A 22 1.576 -15.530 3.818 1.00 10.00 C ATOM 331 C LYS A 22 3.003 -15.813 4.301 1.00 10.00 C ATOM 332 O LYS A 22 3.862 -16.206 3.521 1.00 10.00 O ATOM 333 CB LYS A 22 0.736 -16.795 3.624 1.00 10.00 C ATOM 334 CG LYS A 22 0.038 -17.288 4.897 1.00 10.00 C ATOM 335 CD LYS A 22 0.971 -18.110 5.798 1.00 10.00 C ATOM 336 CE LYS A 22 0.177 -19.141 6.620 1.00 10.00 C ATOM 337 NZ LYS A 22 0.912 -20.415 6.753 1.00 10.00 N ATOM 0 H LYS A 22 1.332 -15.387 1.751 1.00 10.00 H new ATOM 0 HA LYS A 22 1.106 -14.932 4.599 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.018 -16.603 2.861 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.379 -17.590 3.245 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.340 -16.431 5.456 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.825 -17.895 4.623 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.715 -18.622 5.187 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.513 -17.444 6.469 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.031 -18.735 7.610 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.786 -19.324 6.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 0.347 -21.085 7.313 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 1.088 -20.814 5.809 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 1.820 -20.244 7.231 1.00 10.00 H new ATOM 351 N GLY A 23 3.281 -15.585 5.588 1.00 10.00 N ATOM 352 CA GLY A 23 4.643 -15.661 6.112 1.00 10.00 C ATOM 353 C GLY A 23 5.428 -14.379 5.855 1.00 10.00 C ATOM 354 O GLY A 23 6.589 -14.290 6.258 1.00 10.00 O ATOM 0 H GLY A 23 2.577 -15.346 6.286 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.608 -15.856 7.184 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.162 -16.502 5.652 1.00 10.00 H new ATOM 358 N GLY A 24 4.810 -13.367 5.236 1.00 10.00 N ATOM 359 CA GLY A 24 5.442 -12.075 5.120 1.00 10.00 C ATOM 360 C GLY A 24 5.784 -11.533 6.504 1.00 10.00 C ATOM 361 O GLY A 24 4.915 -11.412 7.365 1.00 10.00 O ATOM 0 H GLY A 24 3.883 -13.429 4.816 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.348 -12.157 4.519 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.778 -11.382 4.603 1.00 10.00 H new ATOM 365 N LYS A 25 7.066 -11.239 6.717 1.00 10.00 N ATOM 366 CA LYS A 25 7.568 -10.759 7.990 1.00 10.00 C ATOM 367 C LYS A 25 7.144 -9.304 8.220 1.00 10.00 C ATOM 368 O LYS A 25 6.712 -8.625 7.291 1.00 10.00 O ATOM 369 CB LYS A 25 9.091 -10.928 8.020 1.00 10.00 C ATOM 370 CG LYS A 25 9.486 -12.408 7.878 1.00 10.00 C ATOM 371 CD LYS A 25 11.004 -12.537 8.083 1.00 10.00 C ATOM 372 CE LYS A 25 11.439 -14.009 8.087 1.00 10.00 C ATOM 373 NZ LYS A 25 12.905 -14.156 8.222 1.00 10.00 N ATOM 0 H LYS A 25 7.786 -11.330 6.000 1.00 10.00 H new ATOM 0 HA LYS A 25 7.141 -11.344 8.805 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.540 -10.349 7.213 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.486 -10.531 8.955 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.953 -13.013 8.612 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.205 -12.781 6.893 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.528 -12.002 7.291 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.288 -12.068 9.025 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.946 -14.530 8.908 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.111 -14.486 7.164 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.154 -15.166 8.220 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.376 -13.682 7.426 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.216 -13.724 9.115 1.00 10.00 H new ATOM 387 N HIS A 26 7.273 -8.839 9.467 1.00 10.00 N ATOM 388 CA HIS A 26 6.777 -7.536 9.896 1.00 10.00 C ATOM 389 C HIS A 26 7.496 -6.403 9.153 1.00 10.00 C ATOM 390 O HIS A 26 6.867 -5.634 8.436 1.00 10.00 O ATOM 391 CB HIS A 26 6.915 -7.381 11.423 1.00 10.00 C ATOM 392 CG HIS A 26 6.634 -8.635 12.214 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.570 -9.370 12.908 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.435 -9.290 12.314 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.945 -10.446 13.417 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.647 -10.444 13.075 1.00 10.00 N ATOM 0 H HIS A 26 7.730 -9.366 10.211 1.00 10.00 H new ATOM 0 HA HIS A 26 5.718 -7.472 9.646 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.926 -7.044 11.650 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.235 -6.597 11.757 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.497 -8.973 11.883 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.421 -11.207 14.018 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.951 -11.147 13.322 1.00 10.00 H new ATOM 404 N LYS A 27 8.820 -6.319 9.345 1.00 10.00 N ATOM 405 CA LYS A 27 9.695 -5.275 8.818 1.00 10.00 C ATOM 406 C LYS A 27 9.081 -3.865 8.935 1.00 10.00 C ATOM 407 O LYS A 27 8.371 -3.585 9.898 1.00 10.00 O ATOM 408 CB LYS A 27 10.171 -5.651 7.404 1.00 10.00 C ATOM 409 CG LYS A 27 10.891 -7.011 7.387 1.00 10.00 C ATOM 410 CD LYS A 27 11.853 -7.105 6.190 1.00 10.00 C ATOM 411 CE LYS A 27 13.170 -6.345 6.456 1.00 10.00 C ATOM 412 NZ LYS A 27 13.846 -5.914 5.211 1.00 10.00 N ATOM 0 H LYS A 27 9.328 -7.010 9.897 1.00 10.00 H new ATOM 0 HA LYS A 27 10.586 -5.217 9.443 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.316 -5.684 6.729 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.843 -4.879 7.029 1.00 10.00 H new ATOM 0 HG2 LYS A 27 11.445 -7.146 8.316 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.157 -7.815 7.334 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.073 -8.152 5.981 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.370 -6.697 5.302 1.00 10.00 H new ATOM 0 HE2 LYS A 27 12.961 -5.470 7.072 1.00 10.00 H new ATOM 0 HE3 LYS A 27 13.844 -6.984 7.027 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 14.724 -5.409 5.449 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 14.072 -6.748 4.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 13.217 -5.282 4.676 1.00 10.00 H new ATOM 426 N THR A 28 9.398 -2.959 8.001 1.00 10.00 N ATOM 427 CA THR A 28 8.815 -1.625 7.962 1.00 10.00 C ATOM 428 C THR A 28 7.416 -1.721 7.356 1.00 10.00 C ATOM 429 O THR A 28 6.430 -1.444 8.034 1.00 10.00 O ATOM 430 CB THR A 28 9.764 -0.650 7.246 1.00 10.00 C ATOM 431 OG1 THR A 28 10.980 -0.586 7.961 1.00 10.00 O ATOM 432 CG2 THR A 28 9.193 0.766 7.157 1.00 10.00 C ATOM 0 H THR A 28 10.068 -3.137 7.253 1.00 10.00 H new ATOM 0 HA THR A 28 8.693 -1.212 8.963 1.00 10.00 H new ATOM 0 HB THR A 28 9.908 -1.024 6.232 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.592 0.032 7.510 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.903 1.413 6.643 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.254 0.746 6.604 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.014 1.150 8.161 1.00 10.00 H new ATOM 440 N GLY A 29 7.311 -2.104 6.081 1.00 10.00 N ATOM 441 CA GLY A 29 6.019 -2.252 5.443 1.00 10.00 C ATOM 442 C GLY A 29 5.341 -3.500 5.988 1.00 10.00 C ATOM 443 O GLY A 29 5.914 -4.582 5.899 1.00 10.00 O ATOM 0 H GLY A 29 8.107 -2.314 5.480 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.402 -1.374 5.633 1.00 10.00 H new ATOM 0 HA3 GLY A 29 6.139 -2.329 4.362 1.00 10.00 H new ATOM 447 N PRO A 30 4.132 -3.392 6.558 1.00 10.00 N ATOM 448 CA PRO A 30 3.448 -4.564 7.039 1.00 10.00 C ATOM 449 C PRO A 30 3.224 -5.499 5.858 1.00 10.00 C ATOM 450 O PRO A 30 2.969 -5.066 4.726 1.00 10.00 O ATOM 451 CB PRO A 30 2.143 -4.077 7.669 1.00 10.00 C ATOM 452 CG PRO A 30 1.884 -2.732 6.993 1.00 10.00 C ATOM 453 CD PRO A 30 3.285 -2.220 6.655 1.00 10.00 C ATOM 0 HA PRO A 30 4.012 -5.121 7.787 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.327 -4.777 7.489 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.238 -3.969 8.749 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.272 -2.845 6.098 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.356 -2.046 7.655 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.281 -1.664 5.717 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.648 -1.541 7.426 1.00 10.00 H new ATOM 461 N ASN A 31 3.337 -6.794 6.142 1.00 10.00 N ATOM 462 CA ASN A 31 2.947 -7.826 5.215 1.00 10.00 C ATOM 463 C ASN A 31 1.484 -7.623 4.873 1.00 10.00 C ATOM 464 O ASN A 31 0.617 -7.989 5.665 1.00 10.00 O ATOM 465 CB ASN A 31 3.111 -9.193 5.864 1.00 10.00 C ATOM 466 CG ASN A 31 2.483 -10.257 4.974 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.454 -10.110 3.751 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.979 -11.327 5.573 1.00 10.00 N ATOM 0 H ASN A 31 3.704 -7.147 7.026 1.00 10.00 H new ATOM 0 HA ASN A 31 3.568 -7.775 4.321 1.00 10.00 H new ATOM 0 HB2 ASN A 31 4.168 -9.410 6.017 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.638 -9.200 6.846 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.547 -12.066 5.018 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.023 -11.411 6.589 1.00 10.00 H new ATOM 475 N LEU A 32 1.201 -7.047 3.706 1.00 10.00 N ATOM 476 CA LEU A 32 -0.151 -6.632 3.401 1.00 10.00 C ATOM 477 C LEU A 32 -1.051 -7.806 2.975 1.00 10.00 C ATOM 478 O LEU A 32 -1.869 -7.669 2.072 1.00 10.00 O ATOM 479 CB LEU A 32 -0.133 -5.450 2.413 1.00 10.00 C ATOM 480 CG LEU A 32 -0.162 -4.070 3.094 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.041 -3.017 1.988 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.415 -3.844 3.952 1.00 10.00 C ATOM 0 H LEU A 32 1.884 -6.863 2.971 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.619 -6.267 4.315 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.761 -5.520 1.793 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.991 -5.533 1.746 1.00 10.00 H new ATOM 0 HG LEU A 32 0.670 -3.998 3.795 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.058 -2.021 2.431 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.897 -3.160 1.451 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.876 -3.120 1.295 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.373 -2.853 4.404 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.304 -3.920 3.325 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.459 -4.599 4.737 1.00 10.00 H new ATOM 494 N HIS A 33 -0.970 -8.954 3.653 1.00 10.00 N ATOM 495 CA HIS A 33 -1.668 -10.192 3.316 1.00 10.00 C ATOM 496 C HIS A 33 -3.135 -10.158 3.782 1.00 10.00 C ATOM 497 O HIS A 33 -3.641 -11.083 4.413 1.00 10.00 O ATOM 498 CB HIS A 33 -0.859 -11.346 3.914 1.00 10.00 C ATOM 499 CG HIS A 33 -1.385 -12.732 3.652 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.742 -13.281 2.439 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.544 -13.693 4.610 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.117 -14.551 2.678 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.006 -14.852 3.985 1.00 10.00 N ATOM 0 H HIS A 33 -0.391 -9.047 4.487 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.730 -10.327 2.236 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.159 -11.287 3.528 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.800 -11.200 4.993 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.347 -13.576 5.665 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.462 -15.239 1.920 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -2.217 -15.746 4.429 1.00 10.00 H new ATOM 511 N GLY A 34 -3.815 -9.055 3.476 1.00 10.00 N ATOM 512 CA GLY A 34 -5.232 -8.839 3.715 1.00 10.00 C ATOM 513 C GLY A 34 -5.573 -7.358 3.577 1.00 10.00 C ATOM 514 O GLY A 34 -6.336 -6.818 4.374 1.00 10.00 O ATOM 0 H GLY A 34 -3.367 -8.252 3.034 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.820 -9.422 3.006 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.497 -9.189 4.713 1.00 10.00 H new ATOM 518 N LEU A 35 -4.990 -6.690 2.573 1.00 10.00 N ATOM 519 CA LEU A 35 -5.208 -5.275 2.337 1.00 10.00 C ATOM 520 C LEU A 35 -6.653 -5.079 1.883 1.00 10.00 C ATOM 521 O LEU A 35 -7.419 -4.310 2.462 1.00 10.00 O ATOM 522 CB LEU A 35 -4.203 -4.804 1.265 1.00 10.00 C ATOM 523 CG LEU A 35 -4.287 -3.328 0.843 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.886 -2.352 1.948 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.408 -3.075 -0.376 1.00 10.00 C ATOM 0 H LEU A 35 -4.354 -7.126 1.905 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.051 -4.685 3.240 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.196 -4.996 1.635 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.339 -5.421 0.376 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.336 -3.146 0.611 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -3.970 -1.330 1.579 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.545 -2.483 2.806 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -2.856 -2.546 2.249 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.478 -2.026 -0.663 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.373 -3.317 -0.135 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.744 -3.701 -1.203 1.00 10.00 H new ATOM 537 N PHE A 36 -7.015 -5.817 0.835 1.00 10.00 N ATOM 538 CA PHE A 36 -8.342 -5.805 0.256 1.00 10.00 C ATOM 539 C PHE A 36 -9.280 -6.548 1.204 1.00 10.00 C ATOM 540 O PHE A 36 -8.967 -7.651 1.646 1.00 10.00 O ATOM 541 CB PHE A 36 -8.313 -6.435 -1.145 1.00 10.00 C ATOM 542 CG PHE A 36 -7.492 -5.657 -2.162 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.091 -5.713 -2.112 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.111 -4.847 -3.133 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.311 -4.963 -3.000 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.328 -4.060 -3.998 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.925 -4.102 -3.919 1.00 10.00 C ATOM 0 H PHE A 36 -6.374 -6.452 0.360 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.704 -4.784 0.133 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -7.912 -7.446 -1.068 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.335 -6.524 -1.512 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.608 -6.343 -1.379 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.188 -4.830 -3.214 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.235 -5.048 -2.977 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -7.807 -3.421 -4.725 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.325 -3.475 -4.562 1.00 10.00 H new ATOM 557 N GLY A 37 -10.424 -5.936 1.518 1.00 10.00 N ATOM 558 CA GLY A 37 -11.419 -6.504 2.418 1.00 10.00 C ATOM 559 C GLY A 37 -11.182 -6.104 3.876 1.00 10.00 C ATOM 560 O GLY A 37 -11.621 -6.800 4.794 1.00 10.00 O ATOM 0 H GLY A 37 -10.684 -5.022 1.148 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.412 -6.176 2.111 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.402 -7.591 2.335 1.00 10.00 H new ATOM 564 N ARG A 38 -10.524 -4.964 4.112 1.00 10.00 N ATOM 565 CA ARG A 38 -10.301 -4.451 5.451 1.00 10.00 C ATOM 566 C ARG A 38 -10.174 -2.925 5.395 1.00 10.00 C ATOM 567 O ARG A 38 -9.989 -2.345 4.322 1.00 10.00 O ATOM 568 CB ARG A 38 -9.049 -5.114 6.048 1.00 10.00 C ATOM 569 CG ARG A 38 -9.148 -5.391 7.557 1.00 10.00 C ATOM 570 CD ARG A 38 -9.520 -6.840 7.913 1.00 10.00 C ATOM 571 NE ARG A 38 -10.967 -7.109 7.837 1.00 10.00 N ATOM 572 CZ ARG A 38 -11.567 -8.133 8.470 1.00 10.00 C ATOM 573 NH1 ARG A 38 -10.822 -9.099 9.022 1.00 10.00 N ATOM 574 NH2 ARG A 38 -12.901 -8.192 8.562 1.00 10.00 N ATOM 0 H ARG A 38 -10.134 -4.377 3.374 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.144 -4.690 6.099 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.865 -6.054 5.528 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.187 -4.473 5.862 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.192 -5.149 8.022 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.891 -4.721 7.989 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.996 -7.518 7.239 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -9.170 -7.060 8.922 1.00 10.00 H new ATOM 0 HE ARG A 38 -11.545 -6.485 7.274 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -9.805 -9.056 8.961 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -11.272 -9.878 9.503 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -13.474 -7.456 8.150 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -13.345 -8.973 9.044 1.00 10.00 H new ATOM 588 N LYS A 39 -10.306 -2.283 6.558 1.00 10.00 N ATOM 589 CA LYS A 39 -10.112 -0.855 6.741 1.00 10.00 C ATOM 590 C LYS A 39 -8.665 -0.573 7.124 1.00 10.00 C ATOM 591 O LYS A 39 -7.949 -1.425 7.645 1.00 10.00 O ATOM 592 CB LYS A 39 -11.049 -0.347 7.846 1.00 10.00 C ATOM 593 CG LYS A 39 -12.145 0.568 7.296 1.00 10.00 C ATOM 594 CD LYS A 39 -13.301 0.663 8.293 1.00 10.00 C ATOM 595 CE LYS A 39 -14.271 -0.518 8.105 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.987 -0.862 9.351 1.00 10.00 N ATOM 0 H LYS A 39 -10.559 -2.764 7.421 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.340 -0.339 5.808 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.507 -1.197 8.351 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.468 0.193 8.594 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.738 1.561 7.104 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.507 0.182 6.343 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -12.912 0.664 9.311 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.833 1.604 8.154 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.996 -0.270 7.329 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.716 -1.389 7.756 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.627 -1.662 9.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.299 -1.125 10.085 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.539 -0.041 9.672 1.00 10.00 H new ATOM 610 N THR A 40 -8.282 0.675 6.898 1.00 10.00 N ATOM 611 CA THR A 40 -6.962 1.217 7.170 1.00 10.00 C ATOM 612 C THR A 40 -6.498 0.936 8.600 1.00 10.00 C ATOM 613 O THR A 40 -5.451 0.329 8.818 1.00 10.00 O ATOM 614 CB THR A 40 -7.033 2.717 6.880 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.077 3.285 7.660 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.371 2.939 5.401 1.00 10.00 C ATOM 0 H THR A 40 -8.915 1.369 6.501 1.00 10.00 H new ATOM 0 HA THR A 40 -6.220 0.734 6.534 1.00 10.00 H new ATOM 0 HB THR A 40 -6.074 3.178 7.119 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.913 3.271 7.148 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.421 4.008 5.196 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.599 2.486 4.779 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.334 2.481 5.175 1.00 10.00 H new ATOM 624 N GLY A 41 -7.296 1.349 9.582 1.00 10.00 N ATOM 625 CA GLY A 41 -6.980 1.171 10.990 1.00 10.00 C ATOM 626 C GLY A 41 -7.238 -0.255 11.490 1.00 10.00 C ATOM 627 O GLY A 41 -7.593 -0.421 12.653 1.00 10.00 O ATOM 0 H GLY A 41 -8.186 1.820 9.418 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.933 1.423 11.156 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.573 1.869 11.580 1.00 10.00 H new ATOM 631 N GLN A 42 -7.076 -1.278 10.640 1.00 10.00 N ATOM 632 CA GLN A 42 -7.269 -2.678 11.000 1.00 10.00 C ATOM 633 C GLN A 42 -6.168 -3.529 10.361 1.00 10.00 C ATOM 634 O GLN A 42 -6.430 -4.337 9.474 1.00 10.00 O ATOM 635 CB GLN A 42 -8.665 -3.156 10.574 1.00 10.00 C ATOM 636 CG GLN A 42 -9.792 -2.374 11.257 1.00 10.00 C ATOM 637 CD GLN A 42 -11.084 -3.188 11.270 1.00 10.00 C ATOM 638 OE1 GLN A 42 -12.108 -2.754 10.541 1.00 10.00 O flip ATOM 639 NE2 GLN A 42 -11.170 -4.222 11.921 1.00 10.00 N flip ATOM 0 H GLN A 42 -6.802 -1.147 9.666 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.203 -2.785 12.083 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.764 -3.058 9.493 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.769 -4.215 10.809 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.502 -2.126 12.278 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.956 -1.431 10.735 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.376 -4.543 12.476 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -12.035 -4.762 11.908 1.00 10.00 H new ATOM 648 N ALA A 43 -4.928 -3.352 10.819 1.00 10.00 N ATOM 649 CA ALA A 43 -3.787 -4.123 10.345 1.00 10.00 C ATOM 650 C ALA A 43 -3.614 -5.385 11.198 1.00 10.00 C ATOM 651 O ALA A 43 -3.848 -5.329 12.406 1.00 10.00 O ATOM 652 CB ALA A 43 -2.535 -3.256 10.433 1.00 10.00 C ATOM 0 H ALA A 43 -4.690 -2.664 11.534 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.952 -4.425 9.311 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.674 -3.824 10.080 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.663 -2.368 9.814 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.372 -2.956 11.468 1.00 10.00 H new ATOM 658 N PRO A 44 -3.195 -6.520 10.616 1.00 10.00 N ATOM 659 CA PRO A 44 -3.031 -7.749 11.369 1.00 10.00 C ATOM 660 C PRO A 44 -1.766 -7.688 12.231 1.00 10.00 C ATOM 661 O PRO A 44 -0.670 -7.944 11.740 1.00 10.00 O ATOM 662 CB PRO A 44 -2.981 -8.864 10.319 1.00 10.00 C ATOM 663 CG PRO A 44 -2.406 -8.172 9.082 1.00 10.00 C ATOM 664 CD PRO A 44 -2.916 -6.734 9.202 1.00 10.00 C ATOM 0 HA PRO A 44 -3.846 -7.923 12.071 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.351 -9.692 10.644 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.972 -9.275 10.124 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -1.317 -8.211 9.071 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.751 -8.644 8.162 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -2.171 -6.025 8.840 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.814 -6.588 8.601 1.00 10.00 H new ATOM 672 N GLY A 45 -1.929 -7.369 13.521 1.00 10.00 N ATOM 673 CA GLY A 45 -0.877 -7.456 14.528 1.00 10.00 C ATOM 674 C GLY A 45 0.385 -6.702 14.113 1.00 10.00 C ATOM 675 O GLY A 45 1.448 -7.293 13.938 1.00 10.00 O ATOM 0 H GLY A 45 -2.817 -7.037 13.897 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.245 -7.052 15.471 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.631 -8.503 14.704 1.00 10.00 H new ATOM 679 N PHE A 46 0.256 -5.383 13.958 1.00 10.00 N ATOM 680 CA PHE A 46 1.303 -4.509 13.452 1.00 10.00 C ATOM 681 C PHE A 46 1.204 -3.165 14.187 1.00 10.00 C ATOM 682 O PHE A 46 0.130 -2.803 14.668 1.00 10.00 O ATOM 683 CB PHE A 46 1.102 -4.367 11.937 1.00 10.00 C ATOM 684 CG PHE A 46 1.702 -3.125 11.308 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.092 -3.024 11.111 1.00 10.00 C ATOM 686 CD2 PHE A 46 0.865 -2.050 10.954 1.00 10.00 C ATOM 687 CE1 PHE A 46 3.637 -1.858 10.544 1.00 10.00 C ATOM 688 CE2 PHE A 46 1.406 -0.898 10.362 1.00 10.00 C ATOM 689 CZ PHE A 46 2.796 -0.791 10.185 1.00 10.00 C ATOM 0 H PHE A 46 -0.604 -4.885 14.188 1.00 10.00 H new ATOM 0 HA PHE A 46 2.301 -4.910 13.627 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.530 -5.242 11.449 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.032 -4.377 11.728 1.00 10.00 H new ATOM 0 HD1 PHE A 46 3.739 -3.841 11.395 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -0.197 -2.112 11.139 1.00 10.00 H new ATOM 0 HE1 PHE A 46 4.702 -1.783 10.384 1.00 10.00 H new ATOM 0 HE2 PHE A 46 0.756 -0.096 10.044 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.219 0.113 9.772 1.00 10.00 H new ATOM 699 N THR A 47 2.323 -2.440 14.286 1.00 10.00 N ATOM 700 CA THR A 47 2.395 -1.135 14.934 1.00 10.00 C ATOM 701 C THR A 47 1.708 -0.086 14.056 1.00 10.00 C ATOM 702 O THR A 47 2.189 0.218 12.971 1.00 10.00 O ATOM 703 CB THR A 47 3.867 -0.777 15.185 1.00 10.00 C ATOM 704 OG1 THR A 47 4.444 -1.754 16.030 1.00 10.00 O ATOM 705 CG2 THR A 47 4.029 0.589 15.860 1.00 10.00 C ATOM 0 H THR A 47 3.218 -2.753 13.910 1.00 10.00 H new ATOM 0 HA THR A 47 1.878 -1.162 15.893 1.00 10.00 H new ATOM 0 HB THR A 47 4.361 -0.741 14.214 1.00 10.00 H new ATOM 0 HG1 THR A 47 5.385 -1.532 16.192 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.088 0.795 16.015 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.599 1.362 15.224 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.516 0.583 16.822 1.00 10.00 H new ATOM 713 N TYR A 48 0.599 0.483 14.529 1.00 10.00 N ATOM 714 CA TYR A 48 -0.161 1.485 13.801 1.00 10.00 C ATOM 715 C TYR A 48 0.625 2.790 13.773 1.00 10.00 C ATOM 716 O TYR A 48 1.686 2.909 14.386 1.00 10.00 O ATOM 717 CB TYR A 48 -1.510 1.702 14.507 1.00 10.00 C ATOM 718 CG TYR A 48 -2.289 0.433 14.799 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.071 -0.267 16.002 1.00 10.00 C ATOM 720 CD2 TYR A 48 -3.221 -0.056 13.866 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.738 -1.479 16.244 1.00 10.00 C ATOM 722 CE2 TYR A 48 -3.917 -1.248 14.128 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.654 -1.975 15.301 1.00 10.00 C ATOM 724 OH TYR A 48 -4.329 -3.132 15.543 1.00 10.00 O ATOM 0 H TYR A 48 0.203 0.254 15.441 1.00 10.00 H new ATOM 0 HA TYR A 48 -0.337 1.151 12.779 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.332 2.226 15.446 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.126 2.355 13.889 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.389 0.129 16.740 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -3.402 0.485 12.949 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -2.547 -2.029 17.154 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -4.656 -1.606 13.426 1.00 10.00 H new ATOM 0 HH TYR A 48 -4.922 -3.329 14.788 1.00 10.00 H new ATOM 734 N THR A 49 0.112 3.793 13.068 1.00 10.00 N ATOM 735 CA THR A 49 0.720 5.105 13.014 1.00 10.00 C ATOM 736 C THR A 49 -0.411 6.142 12.992 1.00 10.00 C ATOM 737 O THR A 49 -1.549 5.824 12.626 1.00 10.00 O ATOM 738 CB THR A 49 1.678 5.133 11.807 1.00 10.00 C ATOM 739 OG1 THR A 49 2.637 4.096 11.934 1.00 10.00 O ATOM 740 CG2 THR A 49 2.451 6.442 11.661 1.00 10.00 C ATOM 0 H THR A 49 -0.742 3.711 12.517 1.00 10.00 H new ATOM 0 HA THR A 49 1.332 5.348 13.883 1.00 10.00 H new ATOM 0 HB THR A 49 1.044 5.011 10.929 1.00 10.00 H new ATOM 0 HG1 THR A 49 3.244 4.115 11.164 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.103 6.384 10.790 1.00 10.00 H new ATOM 0 HG22 THR A 49 1.749 7.267 11.535 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.053 6.611 12.554 1.00 10.00 H new ATOM 748 N ASP A 50 -0.131 7.368 13.438 1.00 10.00 N ATOM 749 CA ASP A 50 -1.070 8.481 13.545 1.00 10.00 C ATOM 750 C ASP A 50 -1.351 9.069 12.164 1.00 10.00 C ATOM 751 O ASP A 50 -1.199 10.261 11.917 1.00 10.00 O ATOM 752 CB ASP A 50 -0.521 9.531 14.525 1.00 10.00 C ATOM 753 CG ASP A 50 0.901 9.991 14.202 1.00 10.00 C ATOM 754 OD1 ASP A 50 1.749 9.087 14.015 1.00 10.00 O ATOM 755 OD2 ASP A 50 1.123 11.219 14.196 1.00 10.00 O ATOM 0 H ASP A 50 0.806 7.622 13.750 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.021 8.125 13.941 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -1.183 10.397 14.523 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -0.539 9.118 15.534 1.00 10.00 H new ATOM 760 N ALA A 51 -1.801 8.203 11.258 1.00 10.00 N ATOM 761 CA ALA A 51 -2.069 8.542 9.880 1.00 10.00 C ATOM 762 C ALA A 51 -2.988 7.466 9.308 1.00 10.00 C ATOM 763 O ALA A 51 -4.144 7.735 8.986 1.00 10.00 O ATOM 764 CB ALA A 51 -0.745 8.686 9.114 1.00 10.00 C ATOM 0 H ALA A 51 -1.991 7.225 11.477 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.575 9.503 9.788 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -0.952 8.942 8.075 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.145 9.474 9.569 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.197 7.744 9.154 1.00 10.00 H new ATOM 770 N ASN A 52 -2.516 6.215 9.262 1.00 10.00 N ATOM 771 CA ASN A 52 -3.335 5.096 8.810 1.00 10.00 C ATOM 772 C ASN A 52 -4.499 4.889 9.774 1.00 10.00 C ATOM 773 O ASN A 52 -5.633 4.693 9.341 1.00 10.00 O ATOM 774 CB ASN A 52 -2.513 3.813 8.612 1.00 10.00 C ATOM 775 CG ASN A 52 -2.016 3.218 9.926 1.00 10.00 C ATOM 776 OD1 ASN A 52 -1.296 3.871 10.671 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.413 1.992 10.257 1.00 10.00 N ATOM 0 H ASN A 52 -1.568 5.957 9.534 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.738 5.342 7.828 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -3.122 3.074 8.092 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.659 4.030 7.971 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.118 1.582 11.143 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -3.013 1.462 9.625 1.00 10.00 H new ATOM 784 N LYS A 53 -4.252 5.006 11.084 1.00 10.00 N ATOM 785 CA LYS A 53 -5.324 4.884 12.064 1.00 10.00 C ATOM 786 C LYS A 53 -6.280 6.082 12.017 1.00 10.00 C ATOM 787 O LYS A 53 -7.331 6.040 12.651 1.00 10.00 O ATOM 788 CB LYS A 53 -4.740 4.646 13.467 1.00 10.00 C ATOM 789 CG LYS A 53 -5.849 4.311 14.483 1.00 10.00 C ATOM 790 CD LYS A 53 -5.408 3.358 15.610 1.00 10.00 C ATOM 791 CE LYS A 53 -5.477 3.997 17.004 1.00 10.00 C ATOM 792 NZ LYS A 53 -4.383 4.963 17.235 1.00 10.00 N ATOM 0 H LYS A 53 -3.329 5.183 11.481 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.927 4.013 11.808 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.019 3.830 13.430 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.200 5.534 13.794 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -6.211 5.238 14.928 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.689 3.863 13.952 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.039 2.469 15.593 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -4.387 3.028 15.419 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -6.435 4.502 17.122 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -5.434 3.215 17.762 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -4.473 5.367 18.189 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -3.467 4.477 17.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -4.438 5.725 16.529 1.00 10.00 H new ATOM 806 N ASN A 54 -5.934 7.144 11.281 1.00 10.00 N ATOM 807 CA ASN A 54 -6.767 8.331 11.152 1.00 10.00 C ATOM 808 C ASN A 54 -7.483 8.368 9.799 1.00 10.00 C ATOM 809 O ASN A 54 -8.177 9.334 9.502 1.00 10.00 O ATOM 810 CB ASN A 54 -5.887 9.572 11.368 1.00 10.00 C ATOM 811 CG ASN A 54 -6.628 10.651 12.149 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.873 11.746 11.656 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.967 10.348 13.401 1.00 10.00 N ATOM 0 H ASN A 54 -5.061 7.198 10.757 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.551 8.312 11.909 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -4.982 9.289 11.905 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.574 9.970 10.403 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.446 11.037 13.981 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.748 9.427 13.780 1.00 10.00 H new ATOM 820 N LYS A 55 -7.310 7.328 8.973 1.00 10.00 N ATOM 821 CA LYS A 55 -7.817 7.303 7.609 1.00 10.00 C ATOM 822 C LYS A 55 -9.291 6.883 7.567 1.00 10.00 C ATOM 823 O LYS A 55 -10.147 7.650 7.137 1.00 10.00 O ATOM 824 CB LYS A 55 -6.915 6.372 6.790 1.00 10.00 C ATOM 825 CG LYS A 55 -6.526 6.955 5.439 1.00 10.00 C ATOM 826 CD LYS A 55 -5.439 6.056 4.833 1.00 10.00 C ATOM 827 CE LYS A 55 -4.062 6.701 4.947 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.946 7.856 4.042 1.00 10.00 N ATOM 0 H LYS A 55 -6.811 6.480 9.241 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.788 8.302 7.174 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.011 6.157 7.360 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.428 5.423 6.635 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.393 7.003 4.780 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.157 7.974 5.555 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.435 5.092 5.342 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.667 5.862 3.785 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -3.890 7.021 5.975 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.292 5.968 4.708 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.942 8.047 3.849 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -4.436 7.648 3.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -4.378 8.691 4.487 1.00 10.00 H new ATOM 842 N GLY A 56 -9.591 5.647 7.980 1.00 10.00 N ATOM 843 CA GLY A 56 -10.961 5.154 8.081 1.00 10.00 C ATOM 844 C GLY A 56 -11.577 4.735 6.741 1.00 10.00 C ATOM 845 O GLY A 56 -12.783 4.517 6.667 1.00 10.00 O ATOM 0 H GLY A 56 -8.886 4.962 8.253 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.980 4.301 8.759 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.583 5.930 8.527 1.00 10.00 H new ATOM 849 N ILE A 57 -10.754 4.569 5.702 1.00 10.00 N ATOM 850 CA ILE A 57 -11.168 4.154 4.361 1.00 10.00 C ATOM 851 C ILE A 57 -10.817 2.685 4.120 1.00 10.00 C ATOM 852 O ILE A 57 -10.231 2.037 4.995 1.00 10.00 O ATOM 853 CB ILE A 57 -10.590 5.096 3.277 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.298 5.806 3.680 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.656 6.113 2.863 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.730 6.644 2.535 1.00 10.00 C ATOM 0 H ILE A 57 -9.749 4.725 5.775 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.252 4.238 4.289 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.317 4.462 2.433 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -9.489 6.448 4.540 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.559 5.067 3.991 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -11.249 6.776 2.100 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.523 5.588 2.463 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -11.956 6.700 3.731 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.812 7.132 2.862 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.514 5.998 1.684 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.458 7.400 2.241 1.00 10.00 H new ATOM 868 N THR A 58 -11.223 2.162 2.954 1.00 10.00 N ATOM 869 CA THR A 58 -11.102 0.763 2.583 1.00 10.00 C ATOM 870 C THR A 58 -10.138 0.605 1.403 1.00 10.00 C ATOM 871 O THR A 58 -10.248 1.295 0.389 1.00 10.00 O ATOM 872 CB THR A 58 -12.495 0.178 2.273 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.048 0.737 1.104 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.506 0.463 3.381 1.00 10.00 C ATOM 0 H THR A 58 -11.658 2.728 2.226 1.00 10.00 H new ATOM 0 HA THR A 58 -10.685 0.202 3.419 1.00 10.00 H new ATOM 0 HB THR A 58 -12.326 -0.893 2.165 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.929 0.342 0.938 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.470 0.030 3.114 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.156 0.022 4.315 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.614 1.540 3.507 1.00 10.00 H new ATOM 882 N TRP A 59 -9.176 -0.310 1.520 1.00 10.00 N ATOM 883 CA TRP A 59 -8.166 -0.486 0.490 1.00 10.00 C ATOM 884 C TRP A 59 -8.663 -1.403 -0.612 1.00 10.00 C ATOM 885 O TRP A 59 -8.215 -2.535 -0.756 1.00 10.00 O ATOM 886 CB TRP A 59 -6.887 -0.995 1.117 1.00 10.00 C ATOM 887 CG TRP A 59 -6.266 -0.002 2.023 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.299 -0.018 3.371 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.577 1.216 1.637 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.570 1.057 3.837 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.187 1.900 2.816 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.278 1.828 0.404 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.549 3.146 2.779 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.512 3.006 0.354 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.178 3.683 1.539 1.00 10.00 C ATOM 0 H TRP A 59 -9.079 -0.937 2.318 1.00 10.00 H new ATOM 0 HA TRP A 59 -7.958 0.477 0.024 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.097 -1.908 1.673 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.179 -1.257 0.330 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.809 -0.748 3.982 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.342 1.209 4.819 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.641 1.388 -0.513 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.346 3.685 3.693 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.179 3.392 -0.598 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.636 4.616 1.494 1.00 10.00 H new ATOM 906 N LYS A 60 -9.592 -0.878 -1.402 1.00 10.00 N ATOM 907 CA LYS A 60 -10.232 -1.604 -2.488 1.00 10.00 C ATOM 908 C LYS A 60 -9.844 -0.983 -3.827 1.00 10.00 C ATOM 909 O LYS A 60 -10.722 -0.644 -4.613 1.00 10.00 O ATOM 910 CB LYS A 60 -11.749 -1.607 -2.269 1.00 10.00 C ATOM 911 CG LYS A 60 -12.289 -0.180 -2.084 1.00 10.00 C ATOM 912 CD LYS A 60 -13.766 -0.056 -2.469 1.00 10.00 C ATOM 913 CE LYS A 60 -13.938 -0.117 -3.997 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.188 0.526 -4.446 1.00 10.00 N ATOM 0 H LYS A 60 -9.926 0.081 -1.303 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.893 -2.640 -2.502 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.241 -2.077 -3.121 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.991 -2.206 -1.391 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.162 0.121 -1.044 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.700 0.509 -2.690 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.337 -0.858 -2.002 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.168 0.884 -2.090 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.089 0.371 -4.476 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.931 -1.158 -4.320 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.615 -0.039 -5.208 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.852 0.589 -3.648 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.979 1.482 -4.799 1.00 10.00 H new ATOM 928 N GLU A 61 -8.541 -0.795 -4.058 1.00 10.00 N ATOM 929 CA GLU A 61 -7.966 -0.172 -5.250 1.00 10.00 C ATOM 930 C GLU A 61 -8.185 1.349 -5.297 1.00 10.00 C ATOM 931 O GLU A 61 -7.229 2.113 -5.394 1.00 10.00 O ATOM 932 CB GLU A 61 -8.290 -0.968 -6.524 1.00 10.00 C ATOM 933 CG GLU A 61 -9.430 -0.471 -7.423 1.00 10.00 C ATOM 934 CD GLU A 61 -8.993 0.532 -8.485 1.00 10.00 C ATOM 935 OE1 GLU A 61 -7.770 0.763 -8.587 1.00 10.00 O ATOM 936 OE2 GLU A 61 -9.897 1.042 -9.178 1.00 10.00 O ATOM 0 H GLU A 61 -7.829 -1.086 -3.389 1.00 10.00 H new ATOM 0 HA GLU A 61 -6.880 -0.238 -5.185 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.384 -1.010 -7.129 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.523 -1.991 -6.227 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -9.890 -1.328 -7.915 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.197 -0.012 -6.799 1.00 10.00 H new ATOM 943 N GLU A 62 -9.435 1.775 -5.120 1.00 10.00 N ATOM 944 CA GLU A 62 -9.915 3.152 -5.116 1.00 10.00 C ATOM 945 C GLU A 62 -8.967 4.086 -4.349 1.00 10.00 C ATOM 946 O GLU A 62 -8.409 5.019 -4.920 1.00 10.00 O ATOM 947 CB GLU A 62 -11.343 3.113 -4.535 1.00 10.00 C ATOM 948 CG GLU A 62 -12.315 4.164 -5.077 1.00 10.00 C ATOM 949 CD GLU A 62 -13.739 3.828 -4.642 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.264 2.811 -5.152 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.266 4.533 -3.760 1.00 10.00 O ATOM 0 H GLU A 62 -10.195 1.113 -4.964 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.938 3.569 -6.123 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.764 2.125 -4.723 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.278 3.230 -3.453 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.037 5.152 -4.711 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.257 4.199 -6.165 1.00 10.00 H new ATOM 958 N THR A 63 -8.739 3.829 -3.057 1.00 10.00 N ATOM 959 CA THR A 63 -7.801 4.631 -2.288 1.00 10.00 C ATOM 960 C THR A 63 -6.374 4.521 -2.848 1.00 10.00 C ATOM 961 O THR A 63 -5.698 5.540 -2.971 1.00 10.00 O ATOM 962 CB THR A 63 -7.916 4.278 -0.797 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.253 4.464 -0.382 1.00 10.00 O ATOM 964 CG2 THR A 63 -6.996 5.146 0.063 1.00 10.00 C ATOM 0 H THR A 63 -9.189 3.079 -2.532 1.00 10.00 H new ATOM 0 HA THR A 63 -8.059 5.686 -2.383 1.00 10.00 H new ATOM 0 HB THR A 63 -7.613 3.239 -0.669 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.414 3.956 0.440 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.106 4.866 1.111 1.00 10.00 H new ATOM 0 HG22 THR A 63 -5.961 4.996 -0.246 1.00 10.00 H new ATOM 0 HG23 THR A 63 -7.264 6.195 -0.062 1.00 10.00 H new ATOM 972 N LEU A 64 -5.899 3.317 -3.201 1.00 10.00 N ATOM 973 CA LEU A 64 -4.547 3.145 -3.733 1.00 10.00 C ATOM 974 C LEU A 64 -4.308 4.053 -4.946 1.00 10.00 C ATOM 975 O LEU A 64 -3.281 4.729 -5.020 1.00 10.00 O ATOM 976 CB LEU A 64 -4.236 1.690 -4.111 1.00 10.00 C ATOM 977 CG LEU A 64 -4.008 0.716 -2.946 1.00 10.00 C ATOM 978 CD1 LEU A 64 -5.164 -0.274 -2.771 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.740 -0.092 -3.234 1.00 10.00 C ATOM 0 H LEU A 64 -6.434 2.452 -3.126 1.00 10.00 H new ATOM 0 HA LEU A 64 -3.870 3.430 -2.927 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.059 1.311 -4.717 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.347 1.683 -4.741 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.926 1.307 -2.034 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.950 -0.939 -1.934 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -6.085 0.274 -2.573 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.280 -0.863 -3.681 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.560 -0.791 -2.417 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.865 -0.646 -4.164 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -1.890 0.585 -3.326 1.00 10.00 H new ATOM 991 N MET A 65 -5.253 4.076 -5.888 1.00 10.00 N ATOM 992 CA MET A 65 -5.235 4.945 -7.062 1.00 10.00 C ATOM 993 C MET A 65 -4.922 6.404 -6.699 1.00 10.00 C ATOM 994 O MET A 65 -4.184 7.064 -7.429 1.00 10.00 O ATOM 995 CB MET A 65 -6.577 4.801 -7.806 1.00 10.00 C ATOM 996 CG MET A 65 -6.550 3.659 -8.831 1.00 10.00 C ATOM 997 SD MET A 65 -6.484 4.141 -10.577 1.00 10.00 S ATOM 998 CE MET A 65 -8.246 4.373 -10.900 1.00 10.00 C ATOM 0 H MET A 65 -6.075 3.473 -5.852 1.00 10.00 H new ATOM 0 HA MET A 65 -4.427 4.634 -7.725 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.374 4.621 -7.084 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.812 5.737 -8.313 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.686 3.030 -8.618 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.437 3.044 -8.680 1.00 10.00 H new ATOM 0 HE1 MET A 65 -8.389 4.674 -11.938 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.776 3.438 -10.717 1.00 10.00 H new ATOM 0 HE3 MET A 65 -8.638 5.147 -10.240 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.427 6.885 -5.559 1.00 10.00 N ATOM 1009 CA GLU A 66 -5.227 8.243 -5.068 1.00 10.00 C ATOM 1010 C GLU A 66 -4.191 8.285 -3.937 1.00 10.00 C ATOM 1011 O GLU A 66 -4.210 9.194 -3.108 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.566 8.816 -4.587 1.00 10.00 C ATOM 1013 CG GLU A 66 -7.494 9.296 -5.709 1.00 10.00 C ATOM 1014 CD GLU A 66 -8.245 10.534 -5.235 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.955 10.405 -4.213 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -8.022 11.606 -5.835 1.00 10.00 O ATOM 0 H GLU A 66 -6.003 6.319 -4.936 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.843 8.851 -5.887 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -7.085 8.054 -4.005 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -6.369 9.651 -3.914 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.915 9.526 -6.604 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -8.198 8.509 -5.978 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.268 7.324 -3.895 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.283 7.244 -2.829 1.00 10.00 C ATOM 1025 C TYR A 67 -0.921 6.885 -3.410 1.00 10.00 C ATOM 1026 O TYR A 67 0.052 7.610 -3.223 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.758 6.231 -1.788 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.907 6.220 -0.544 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -0.647 5.601 -0.571 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -2.366 6.830 0.636 1.00 10.00 C ATOM 1031 CE1 TYR A 67 0.150 5.574 0.578 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.594 6.736 1.804 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.365 6.065 1.788 1.00 10.00 C ATOM 1034 OH TYR A 67 0.264 5.825 2.968 1.00 10.00 O ATOM 0 H TYR A 67 -3.186 6.587 -4.595 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.175 8.209 -2.333 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.789 6.456 -1.514 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.756 5.235 -2.231 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.292 5.144 -1.483 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -3.304 7.366 0.644 1.00 10.00 H new ATOM 0 HE1 TYR A 67 1.154 5.178 0.535 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -1.950 7.184 2.720 1.00 10.00 H new ATOM 0 HH TYR A 67 0.038 6.532 3.609 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.846 5.783 -4.159 1.00 10.00 N ATOM 1045 CA LEU A 68 0.381 5.366 -4.825 1.00 10.00 C ATOM 1046 C LEU A 68 0.846 6.399 -5.855 1.00 10.00 C ATOM 1047 O LEU A 68 1.999 6.357 -6.290 1.00 10.00 O ATOM 1048 CB LEU A 68 0.181 4.011 -5.509 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.247 2.870 -4.580 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.299 1.588 -5.422 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.710 2.687 -3.398 1.00 10.00 C ATOM 0 H LEU A 68 -1.636 5.158 -4.318 1.00 10.00 H new ATOM 0 HA LEU A 68 1.153 5.278 -4.061 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.570 4.124 -6.291 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.112 3.729 -6.000 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.221 3.105 -4.151 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.601 0.751 -4.792 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.020 1.713 -6.230 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.687 1.388 -5.842 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.361 1.866 -2.771 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.709 2.460 -3.770 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.742 3.604 -2.810 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.048 7.308 -6.261 1.00 10.00 N ATOM 1064 CA GLU A 69 0.284 8.419 -7.139 1.00 10.00 C ATOM 1065 C GLU A 69 0.276 9.758 -6.397 1.00 10.00 C ATOM 1066 O GLU A 69 0.289 10.811 -7.027 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.683 8.390 -8.321 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.073 8.985 -9.600 1.00 10.00 C ATOM 1069 CD GLU A 69 -1.097 9.619 -10.539 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -2.280 9.208 -10.463 1.00 10.00 O ATOM 1071 OE2 GLU A 69 -0.684 10.475 -11.347 1.00 10.00 O ATOM 0 H GLU A 69 -1.029 7.287 -5.983 1.00 10.00 H new ATOM 0 HA GLU A 69 1.304 8.311 -7.509 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -0.986 7.361 -8.512 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.585 8.944 -8.061 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.665 9.737 -9.322 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.459 8.199 -10.136 1.00 10.00 H new ATOM 1078 N ASN A 70 0.232 9.740 -5.061 1.00 10.00 N ATOM 1079 CA ASN A 70 0.090 10.957 -4.274 1.00 10.00 C ATOM 1080 C ASN A 70 0.166 10.627 -2.776 1.00 10.00 C ATOM 1081 O ASN A 70 -0.802 10.818 -2.041 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.224 11.669 -4.674 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.002 12.990 -5.403 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.029 13.701 -5.163 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -1.937 13.361 -6.272 1.00 10.00 N ATOM 0 H ASN A 70 0.294 8.888 -4.504 1.00 10.00 H new ATOM 0 HA ASN A 70 0.909 11.646 -4.480 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.808 11.005 -5.311 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.816 11.853 -3.777 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -1.856 14.254 -6.757 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.735 12.752 -6.453 1.00 10.00 H new ATOM 1092 N PRO A 71 1.318 10.140 -2.284 1.00 10.00 N ATOM 1093 CA PRO A 71 1.457 9.806 -0.880 1.00 10.00 C ATOM 1094 C PRO A 71 1.310 11.082 -0.049 1.00 10.00 C ATOM 1095 O PRO A 71 0.488 11.150 0.866 1.00 10.00 O ATOM 1096 CB PRO A 71 2.829 9.133 -0.743 1.00 10.00 C ATOM 1097 CG PRO A 71 3.627 9.618 -1.957 1.00 10.00 C ATOM 1098 CD PRO A 71 2.558 9.917 -3.011 1.00 10.00 C ATOM 0 HA PRO A 71 0.691 9.123 -0.513 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.317 9.416 0.190 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.738 8.047 -0.738 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.213 10.506 -1.720 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.327 8.858 -2.304 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.827 10.794 -3.599 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.456 9.085 -3.708 1.00 10.00 H new ATOM 1106 N LYS A 72 2.068 12.126 -0.401 1.00 10.00 N ATOM 1107 CA LYS A 72 2.081 13.376 0.342 1.00 10.00 C ATOM 1108 C LYS A 72 0.903 14.287 -0.025 1.00 10.00 C ATOM 1109 O LYS A 72 1.092 15.468 -0.308 1.00 10.00 O ATOM 1110 CB LYS A 72 3.433 14.086 0.186 1.00 10.00 C ATOM 1111 CG LYS A 72 3.816 14.551 -1.234 1.00 10.00 C ATOM 1112 CD LYS A 72 4.588 13.501 -2.050 1.00 10.00 C ATOM 1113 CE LYS A 72 5.620 14.169 -2.980 1.00 10.00 C ATOM 1114 NZ LYS A 72 6.800 13.313 -3.198 1.00 10.00 N ATOM 0 H LYS A 72 2.688 12.121 -1.211 1.00 10.00 H new ATOM 0 HA LYS A 72 1.953 13.132 1.397 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.436 14.957 0.841 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.213 13.414 0.545 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.908 14.820 -1.774 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.421 15.454 -1.158 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.095 12.812 -1.375 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.889 12.910 -2.642 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.153 14.394 -3.939 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.936 15.119 -2.549 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.208 13.516 -4.133 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.509 13.505 -2.462 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.517 12.313 -3.153 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.312 13.739 -0.046 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.487 14.461 -0.530 1.00 10.00 C ATOM 1130 C LYS A 73 -2.739 14.076 0.254 1.00 10.00 C ATOM 1131 O LYS A 73 -3.569 14.938 0.542 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.646 14.230 -2.042 1.00 10.00 C ATOM 1133 CG LYS A 73 -1.888 15.510 -2.864 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.359 15.948 -2.955 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.807 16.907 -1.837 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.001 16.420 -1.116 1.00 10.00 N ATOM 0 H LYS A 73 -0.508 12.789 0.270 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.345 15.529 -0.365 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -0.749 13.737 -2.417 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.478 13.546 -2.206 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -1.308 16.322 -2.425 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.506 15.355 -3.873 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.523 16.431 -3.918 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.992 15.061 -2.931 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -2.989 17.041 -1.129 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -4.021 17.886 -2.267 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -5.331 17.153 -0.456 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.755 16.204 -1.799 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -4.759 15.560 -0.584 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.899 12.796 0.595 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.961 12.376 1.499 1.00 10.00 C ATOM 1152 C TYR A 74 -3.638 12.828 2.925 1.00 10.00 C ATOM 1153 O TYR A 74 -4.446 13.501 3.558 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.157 10.853 1.416 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.270 10.403 0.484 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.487 11.045 -0.752 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.170 9.410 0.913 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.629 10.742 -1.516 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.277 9.070 0.120 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.501 9.719 -1.103 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.593 9.365 -1.835 1.00 10.00 O ATOM 0 H TYR A 74 -2.306 12.037 0.258 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.899 12.845 1.202 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.222 10.398 1.089 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.364 10.472 2.416 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -4.775 11.772 -1.114 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.008 8.908 1.855 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -6.836 11.295 -2.420 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -7.961 8.304 0.454 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.422 9.542 -2.784 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.466 12.435 3.432 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.047 12.680 4.807 1.00 10.00 C ATOM 1173 C ILE A 75 -0.671 13.363 4.808 1.00 10.00 C ATOM 1174 O ILE A 75 0.322 12.723 4.459 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.047 11.362 5.614 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -1.482 10.176 4.806 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.465 11.024 6.113 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -1.312 8.918 5.662 1.00 10.00 C ATOM 0 H ILE A 75 -1.771 11.928 2.884 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.754 13.350 5.296 1.00 10.00 H new ATOM 0 HB ILE A 75 -1.391 11.523 6.469 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -2.148 9.958 3.971 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.519 10.456 4.380 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.439 10.092 6.678 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -3.826 11.828 6.755 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -4.134 10.912 5.260 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.912 8.111 5.048 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.624 9.126 6.482 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -2.279 8.620 6.067 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.569 14.649 5.187 1.00 10.00 N ATOM 1191 CA PRO A 76 0.699 15.367 5.206 1.00 10.00 C ATOM 1192 C PRO A 76 1.511 14.974 6.451 1.00 10.00 C ATOM 1193 O PRO A 76 1.786 15.797 7.318 1.00 10.00 O ATOM 1194 CB PRO A 76 0.309 16.848 5.164 1.00 10.00 C ATOM 1195 CG PRO A 76 -1.026 16.881 5.908 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.664 15.535 5.558 1.00 10.00 C ATOM 0 HA PRO A 76 1.351 15.128 4.365 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.056 17.475 5.651 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.208 17.209 4.140 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.884 16.990 6.983 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.646 17.716 5.582 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.218 15.135 6.407 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.373 15.642 4.737 1.00 10.00 H new ATOM 1204 N GLY A 77 1.895 13.697 6.527 1.00 10.00 N ATOM 1205 CA GLY A 77 2.628 13.101 7.636 1.00 10.00 C ATOM 1206 C GLY A 77 2.457 11.588 7.538 1.00 10.00 C ATOM 1207 O GLY A 77 1.682 10.994 8.279 1.00 10.00 O ATOM 0 H GLY A 77 1.693 13.027 5.785 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.683 13.372 7.588 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.248 13.469 8.589 1.00 10.00 H new ATOM 1211 N THR A 78 3.154 10.977 6.575 1.00 10.00 N ATOM 1212 CA THR A 78 3.182 9.532 6.381 1.00 10.00 C ATOM 1213 C THR A 78 4.633 9.056 6.373 1.00 10.00 C ATOM 1214 O THR A 78 5.044 8.301 7.250 1.00 10.00 O ATOM 1215 CB THR A 78 2.363 9.128 5.134 1.00 10.00 C ATOM 1216 OG1 THR A 78 2.491 7.750 4.849 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.659 9.896 3.839 1.00 10.00 C ATOM 0 H THR A 78 3.723 11.486 5.899 1.00 10.00 H new ATOM 0 HA THR A 78 2.692 9.022 7.210 1.00 10.00 H new ATOM 0 HB THR A 78 1.349 9.394 5.432 1.00 10.00 H new ATOM 0 HG1 THR A 78 2.094 7.559 3.974 1.00 10.00 H new ATOM 0 HG21 THR A 78 2.021 9.520 3.039 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.462 10.957 3.992 1.00 10.00 H new ATOM 0 HG23 THR A 78 3.705 9.757 3.565 1.00 10.00 H new ATOM 1225 N LYS A 79 5.408 9.505 5.382 1.00 10.00 N ATOM 1226 CA LYS A 79 6.753 9.021 5.095 1.00 10.00 C ATOM 1227 C LYS A 79 7.311 9.743 3.865 1.00 10.00 C ATOM 1228 O LYS A 79 8.462 10.160 3.880 1.00 10.00 O ATOM 1229 CB LYS A 79 6.793 7.486 4.942 1.00 10.00 C ATOM 1230 CG LYS A 79 5.630 6.870 4.139 1.00 10.00 C ATOM 1231 CD LYS A 79 4.863 5.829 4.974 1.00 10.00 C ATOM 1232 CE LYS A 79 5.630 4.529 5.205 1.00 10.00 C ATOM 1233 NZ LYS A 79 5.919 3.836 3.941 1.00 10.00 N ATOM 0 H LYS A 79 5.104 10.237 4.740 1.00 10.00 H new ATOM 0 HA LYS A 79 7.395 9.252 5.945 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.731 7.210 4.460 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.802 7.039 5.936 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.948 7.658 3.821 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.018 6.400 3.235 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.612 6.267 5.940 1.00 10.00 H new ATOM 0 HD3 LYS A 79 3.922 5.599 4.474 1.00 10.00 H new ATOM 0 HE2 LYS A 79 6.564 4.745 5.723 1.00 10.00 H new ATOM 0 HE3 LYS A 79 5.049 3.874 5.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 6.785 3.270 4.045 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 5.124 3.211 3.698 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 6.052 4.536 3.184 1.00 10.00 H new ATOM 1247 N MET A 80 6.478 9.905 2.825 1.00 10.00 N ATOM 1248 CA MET A 80 6.777 10.654 1.606 1.00 10.00 C ATOM 1249 C MET A 80 7.992 10.066 0.892 1.00 10.00 C ATOM 1250 O MET A 80 9.095 10.573 1.064 1.00 10.00 O ATOM 1251 CB MET A 80 6.991 12.150 1.911 1.00 10.00 C ATOM 1252 CG MET A 80 7.291 12.965 0.637 1.00 10.00 C ATOM 1253 SD MET A 80 8.515 14.296 0.748 1.00 10.00 S ATOM 1254 CE MET A 80 10.048 13.388 1.059 1.00 10.00 C ATOM 0 H MET A 80 5.542 9.500 2.815 1.00 10.00 H new ATOM 0 HA MET A 80 5.917 10.568 0.941 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.101 12.551 2.396 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.816 12.262 2.615 1.00 10.00 H new ATOM 0 HG2 MET A 80 7.623 12.270 -0.134 1.00 10.00 H new ATOM 0 HG3 MET A 80 6.354 13.401 0.291 1.00 10.00 H new ATOM 0 HE1 MET A 80 10.879 14.090 1.130 1.00 10.00 H new ATOM 0 HE2 MET A 80 9.960 12.835 1.994 1.00 10.00 H new ATOM 0 HE3 MET A 80 10.230 12.691 0.241 1.00 10.00 H new ATOM 1264 N ILE A 81 7.794 9.046 0.045 1.00 10.00 N ATOM 1265 CA ILE A 81 8.932 8.392 -0.591 1.00 10.00 C ATOM 1266 C ILE A 81 9.340 8.958 -1.952 1.00 10.00 C ATOM 1267 O ILE A 81 10.527 9.135 -2.214 1.00 10.00 O ATOM 1268 CB ILE A 81 8.834 6.854 -0.571 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.559 6.336 -1.257 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.947 6.338 0.871 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.528 4.806 -1.342 1.00 10.00 C ATOM 0 H ILE A 81 6.881 8.668 -0.207 1.00 10.00 H new ATOM 0 HA ILE A 81 9.773 8.653 0.051 1.00 10.00 H new ATOM 0 HB ILE A 81 9.670 6.462 -1.150 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.685 6.685 -0.707 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.493 6.755 -2.261 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.877 5.250 0.875 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.906 6.641 1.292 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.139 6.756 1.471 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.609 4.487 -1.834 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.387 4.456 -1.915 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.566 4.385 -0.337 1.00 10.00 H new ATOM 1283 N PHE A 82 8.382 9.239 -2.833 1.00 10.00 N ATOM 1284 CA PHE A 82 8.652 9.763 -4.165 1.00 10.00 C ATOM 1285 C PHE A 82 7.387 10.466 -4.651 1.00 10.00 C ATOM 1286 O PHE A 82 6.491 10.720 -3.843 1.00 10.00 O ATOM 1287 CB PHE A 82 9.184 8.650 -5.090 1.00 10.00 C ATOM 1288 CG PHE A 82 8.417 7.337 -5.077 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.117 7.268 -5.610 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.030 6.164 -4.594 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.417 6.049 -5.620 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.349 4.935 -4.651 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.037 4.879 -5.153 1.00 10.00 C ATOM 0 H PHE A 82 7.389 9.107 -2.638 1.00 10.00 H new ATOM 0 HA PHE A 82 9.451 10.505 -4.160 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.194 9.030 -6.112 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.219 8.444 -4.817 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.654 8.156 -6.014 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.026 6.209 -4.179 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.402 6.012 -5.987 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.834 4.033 -4.309 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.507 3.938 -5.179 1.00 10.00 H new ATOM 1303 N ALA A 83 7.324 10.883 -5.918 1.00 10.00 N ATOM 1304 CA ALA A 83 6.161 11.584 -6.454 1.00 10.00 C ATOM 1305 C ALA A 83 4.958 10.644 -6.516 1.00 10.00 C ATOM 1306 O ALA A 83 3.998 10.810 -5.769 1.00 10.00 O ATOM 1307 CB ALA A 83 6.493 12.172 -7.829 1.00 10.00 C ATOM 0 H ALA A 83 8.074 10.744 -6.595 1.00 10.00 H new ATOM 0 HA ALA A 83 5.899 12.409 -5.792 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.620 12.693 -8.222 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.322 12.873 -7.734 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.773 11.369 -8.510 1.00 10.00 H new ATOM 1313 N GLY A 84 5.033 9.644 -7.391 1.00 10.00 N ATOM 1314 CA GLY A 84 4.022 8.622 -7.568 1.00 10.00 C ATOM 1315 C GLY A 84 4.676 7.458 -8.304 1.00 10.00 C ATOM 1316 O GLY A 84 5.835 7.588 -8.698 1.00 10.00 O ATOM 0 H GLY A 84 5.831 9.525 -8.015 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.632 8.296 -6.604 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.178 9.011 -8.138 1.00 10.00 H new ATOM 1320 N ILE A 85 3.967 6.334 -8.468 1.00 10.00 N ATOM 1321 CA ILE A 85 4.485 5.142 -9.142 1.00 10.00 C ATOM 1322 C ILE A 85 5.203 5.501 -10.439 1.00 10.00 C ATOM 1323 O ILE A 85 6.434 5.454 -10.485 1.00 10.00 O ATOM 1324 CB ILE A 85 3.360 4.099 -9.327 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.207 3.286 -8.063 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.441 3.141 -10.535 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.386 2.366 -7.790 1.00 10.00 C ATOM 0 H ILE A 85 3.010 6.228 -8.133 1.00 10.00 H new ATOM 0 HA ILE A 85 5.242 4.678 -8.510 1.00 10.00 H new ATOM 0 HB ILE A 85 2.491 4.718 -9.550 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.080 3.963 -7.218 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.298 2.689 -8.132 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.581 2.471 -10.526 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.441 3.720 -11.459 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.358 2.555 -10.474 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.210 1.813 -6.868 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.500 1.666 -8.617 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.295 2.959 -7.689 1.00 10.00 H new ATOM 1339 N LYS A 86 4.435 5.803 -11.485 1.00 10.00 N ATOM 1340 CA LYS A 86 4.912 6.296 -12.770 1.00 10.00 C ATOM 1341 C LYS A 86 3.918 7.281 -13.381 1.00 10.00 C ATOM 1342 O LYS A 86 4.271 8.421 -13.665 1.00 10.00 O ATOM 1343 CB LYS A 86 5.160 5.139 -13.741 1.00 10.00 C ATOM 1344 CG LYS A 86 6.104 4.104 -13.133 1.00 10.00 C ATOM 1345 CD LYS A 86 6.736 3.239 -14.224 1.00 10.00 C ATOM 1346 CE LYS A 86 8.257 3.121 -14.081 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.857 2.467 -15.262 1.00 10.00 N ATOM 0 H LYS A 86 3.420 5.705 -11.455 1.00 10.00 H new ATOM 0 HA LYS A 86 5.854 6.815 -12.594 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.212 4.665 -13.997 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.585 5.523 -14.668 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.885 4.608 -12.564 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.557 3.472 -12.433 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.294 2.243 -14.193 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.499 3.663 -15.200 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.691 4.113 -13.952 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.497 2.549 -13.185 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.887 2.401 -15.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.460 1.512 -15.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.647 3.027 -16.113 1.00 10.00 H new ATOM 1361 N LYS A 87 2.688 6.819 -13.623 1.00 10.00 N ATOM 1362 CA LYS A 87 1.612 7.639 -14.148 1.00 10.00 C ATOM 1363 C LYS A 87 0.273 7.057 -13.692 1.00 10.00 C ATOM 1364 O LYS A 87 0.065 6.863 -12.498 1.00 10.00 O ATOM 1365 CB LYS A 87 1.752 7.794 -15.673 1.00 10.00 C ATOM 1366 CG LYS A 87 1.760 6.478 -16.468 1.00 10.00 C ATOM 1367 CD LYS A 87 3.136 6.007 -16.919 1.00 10.00 C ATOM 1368 CE LYS A 87 3.905 7.001 -17.796 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.955 6.311 -18.572 1.00 10.00 N ATOM 0 H LYS A 87 2.416 5.850 -13.455 1.00 10.00 H new ATOM 0 HA LYS A 87 1.664 8.653 -13.751 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.932 8.414 -16.036 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.676 8.333 -15.884 1.00 10.00 H new ATOM 0 HG2 LYS A 87 1.308 5.698 -15.855 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.127 6.598 -17.347 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.735 5.785 -16.036 1.00 10.00 H new ATOM 0 HD3 LYS A 87 3.022 5.073 -17.469 1.00 10.00 H new ATOM 0 HE2 LYS A 87 3.216 7.503 -18.475 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.356 7.772 -17.171 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.464 7.002 -19.159 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.623 5.852 -17.920 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.519 5.592 -19.184 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.603 6.714 -14.640 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.934 6.193 -14.392 1.00 10.00 C ATOM 1385 C LYS A 88 -2.182 4.913 -15.183 1.00 10.00 C ATOM 1386 O LYS A 88 -3.309 4.637 -15.581 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.976 7.291 -14.650 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.169 7.770 -16.101 1.00 10.00 C ATOM 1389 CD LYS A 88 -2.148 8.830 -16.553 1.00 10.00 C ATOM 1390 CE LYS A 88 -2.762 9.819 -17.559 1.00 10.00 C ATOM 1391 NZ LYS A 88 -3.618 10.834 -16.903 1.00 10.00 N ATOM 0 H LYS A 88 -0.390 6.797 -15.634 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.027 5.906 -13.345 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.938 6.932 -14.285 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.708 8.157 -14.044 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -3.104 6.910 -16.768 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -4.173 8.180 -16.207 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -1.781 9.376 -15.684 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -1.288 8.337 -17.006 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -1.963 10.320 -18.105 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.352 9.268 -18.291 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -4.008 11.476 -17.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -4.397 10.360 -16.403 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -3.051 11.379 -16.223 1.00 10.00 H new ATOM 1405 N THR A 89 -1.112 4.142 -15.375 1.00 10.00 N ATOM 1406 CA THR A 89 -1.128 2.871 -16.075 1.00 10.00 C ATOM 1407 C THR A 89 -0.479 1.857 -15.139 1.00 10.00 C ATOM 1408 O THR A 89 -1.175 1.049 -14.526 1.00 10.00 O ATOM 1409 CB THR A 89 -0.412 3.026 -17.428 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.956 4.140 -18.115 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.564 1.765 -18.282 1.00 10.00 C ATOM 0 H THR A 89 -0.185 4.398 -15.035 1.00 10.00 H new ATOM 0 HA THR A 89 -2.133 2.524 -16.316 1.00 10.00 H new ATOM 0 HB THR A 89 0.651 3.181 -17.245 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.503 4.246 -18.978 1.00 10.00 H new ATOM 0 HG21 THR A 89 -0.048 1.904 -19.232 1.00 10.00 H new ATOM 0 HG22 THR A 89 -0.131 0.914 -17.755 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.621 1.577 -18.468 1.00 10.00 H new ATOM 1419 N GLU A 90 0.837 1.972 -14.930 1.00 10.00 N ATOM 1420 CA GLU A 90 1.563 1.068 -14.057 1.00 10.00 C ATOM 1421 C GLU A 90 0.922 0.880 -12.688 1.00 10.00 C ATOM 1422 O GLU A 90 0.882 -0.233 -12.181 1.00 10.00 O ATOM 1423 CB GLU A 90 2.981 1.591 -13.888 1.00 10.00 C ATOM 1424 CG GLU A 90 3.838 1.188 -15.102 1.00 10.00 C ATOM 1425 CD GLU A 90 3.976 2.334 -16.093 1.00 10.00 C ATOM 1426 OE1 GLU A 90 2.983 3.090 -16.213 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.078 2.471 -16.669 1.00 10.00 O ATOM 0 H GLU A 90 1.417 2.691 -15.361 1.00 10.00 H new ATOM 0 HA GLU A 90 1.550 0.087 -14.532 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.968 2.676 -13.786 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.419 1.190 -12.974 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.826 0.877 -14.764 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.386 0.329 -15.598 1.00 10.00 H new ATOM 1434 N ARG A 91 0.446 1.955 -12.062 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.241 1.842 -10.789 1.00 10.00 C ATOM 1436 C ARG A 91 -1.402 0.855 -10.856 1.00 10.00 C ATOM 1437 O ARG A 91 -1.581 0.039 -9.955 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.698 3.222 -10.331 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.557 4.034 -11.317 1.00 10.00 C ATOM 1440 CD ARG A 91 -3.055 4.066 -10.955 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.725 5.272 -11.485 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.493 6.514 -11.029 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -2.672 6.691 -10.007 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -4.021 7.603 -11.586 1.00 10.00 N ATOM 0 H ARG A 91 0.526 2.907 -12.418 1.00 10.00 H new ATOM 0 HA ARG A 91 0.456 1.443 -10.052 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.264 3.103 -9.407 1.00 10.00 H new ATOM 0 HB3 ARG A 91 0.188 3.810 -10.089 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.180 5.056 -11.357 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -1.443 3.613 -12.316 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -3.543 3.176 -11.351 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -3.167 4.035 -9.871 1.00 10.00 H new ATOM 0 HE ARG A 91 -4.401 5.155 -12.239 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.220 5.887 -9.571 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -2.491 7.631 -9.655 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -4.633 7.515 -12.397 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -3.813 8.524 -11.201 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.171 0.922 -11.939 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.332 0.065 -12.129 1.00 10.00 C ATOM 1460 C GLU A 92 -2.855 -1.390 -12.236 1.00 10.00 C ATOM 1461 O GLU A 92 -3.378 -2.302 -11.592 1.00 10.00 O ATOM 1462 CB GLU A 92 -4.101 0.553 -13.370 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.620 0.404 -13.224 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.078 -1.039 -13.371 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.219 -1.470 -14.536 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.247 -1.731 -12.347 1.00 10.00 O ATOM 0 H GLU A 92 -2.005 1.572 -12.707 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.021 0.113 -11.286 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.859 1.600 -13.553 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.768 -0.009 -14.243 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.927 0.782 -12.249 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -6.116 1.018 -13.975 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.783 -1.597 -13.005 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.173 -2.918 -13.133 1.00 10.00 C ATOM 1475 C ASP A 93 -0.753 -3.420 -11.749 1.00 10.00 C ATOM 1476 O ASP A 93 -1.026 -4.553 -11.355 1.00 10.00 O ATOM 1477 CB ASP A 93 0.016 -2.880 -14.105 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.369 -2.643 -15.560 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.507 -3.014 -15.925 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.497 -2.113 -16.287 1.00 10.00 O ATOM 0 H ASP A 93 -1.322 -0.866 -13.547 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.902 -3.613 -13.548 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.702 -2.093 -13.790 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.558 -3.823 -14.034 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.119 -2.540 -10.979 1.00 10.00 N ATOM 1486 CA LEU A 94 0.279 -2.803 -9.610 1.00 10.00 C ATOM 1487 C LEU A 94 -0.913 -3.295 -8.782 1.00 10.00 C ATOM 1488 O LEU A 94 -0.841 -4.370 -8.183 1.00 10.00 O ATOM 1489 CB LEU A 94 0.933 -1.544 -9.021 1.00 10.00 C ATOM 1490 CG LEU A 94 2.214 -1.883 -8.263 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.905 -0.590 -7.845 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.919 -2.700 -7.018 1.00 10.00 C ATOM 0 H LEU A 94 0.135 -1.606 -11.301 1.00 10.00 H new ATOM 0 HA LEU A 94 1.017 -3.604 -9.586 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.158 -0.841 -9.823 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.232 -1.048 -8.350 1.00 10.00 H new ATOM 0 HG LEU A 94 2.854 -2.470 -8.922 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.821 -0.826 -7.303 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.148 -0.005 -8.732 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.240 -0.014 -7.201 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.852 -2.925 -6.501 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.265 -2.132 -6.356 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.428 -3.631 -7.302 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.014 -2.532 -8.775 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.263 -2.928 -8.135 1.00 10.00 C ATOM 1506 C ILE A 95 -3.658 -4.344 -8.537 1.00 10.00 C ATOM 1507 O ILE A 95 -4.027 -5.139 -7.675 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.392 -1.920 -8.441 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.444 -0.840 -7.356 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.785 -2.564 -8.561 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.371 0.222 -7.519 1.00 10.00 C ATOM 0 H ILE A 95 -2.057 -1.615 -9.219 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.103 -2.922 -7.057 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.148 -1.491 -9.413 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.424 -0.363 -7.373 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.336 -1.310 -6.379 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.525 -1.793 -8.777 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.779 -3.297 -9.368 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.039 -3.059 -7.624 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.462 0.957 -6.719 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.387 -0.245 -7.472 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.492 0.717 -8.483 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.633 -4.651 -9.836 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.050 -5.963 -10.306 1.00 10.00 C ATOM 1525 C ALA A 96 -3.294 -7.078 -9.603 1.00 10.00 C ATOM 1526 O ALA A 96 -3.921 -8.014 -9.108 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.898 -6.081 -11.811 1.00 10.00 C ATOM 0 H ALA A 96 -3.330 -4.012 -10.571 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.106 -6.071 -10.060 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.217 -7.072 -12.132 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.514 -5.325 -12.299 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.854 -5.930 -12.084 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.964 -6.983 -9.549 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.207 -7.940 -8.759 1.00 10.00 C ATOM 1535 C TYR A 97 -1.699 -7.912 -7.323 1.00 10.00 C ATOM 1536 O TYR A 97 -2.167 -8.926 -6.813 1.00 10.00 O ATOM 1537 CB TYR A 97 0.288 -7.647 -8.805 1.00 10.00 C ATOM 1538 CG TYR A 97 1.107 -8.516 -7.872 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.157 -9.910 -8.069 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.817 -7.936 -6.804 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.947 -10.714 -7.229 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.645 -8.736 -5.999 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.717 -10.120 -6.214 1.00 10.00 C ATOM 1544 OH TYR A 97 3.565 -10.875 -5.461 1.00 10.00 O ATOM 0 H TYR A 97 -1.408 -6.275 -10.028 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.362 -8.932 -9.184 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.646 -7.787 -9.825 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.452 -6.600 -8.550 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.587 -10.362 -8.867 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.725 -6.879 -6.604 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.962 -11.786 -7.363 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.229 -8.283 -5.211 1.00 10.00 H new ATOM 0 HH TYR A 97 4.019 -10.303 -4.807 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.576 -6.744 -6.690 1.00 10.00 N ATOM 1555 CA LEU A 98 -1.904 -6.533 -5.288 1.00 10.00 C ATOM 1556 C LEU A 98 -3.200 -7.235 -4.875 1.00 10.00 C ATOM 1557 O LEU A 98 -3.196 -7.966 -3.887 1.00 10.00 O ATOM 1558 CB LEU A 98 -1.918 -5.029 -4.967 1.00 10.00 C ATOM 1559 CG LEU A 98 -0.847 -4.648 -3.930 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.205 -3.742 -4.548 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.467 -3.972 -2.715 1.00 10.00 C ATOM 0 H LEU A 98 -1.237 -5.901 -7.154 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.122 -6.997 -4.687 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.753 -4.462 -5.883 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -2.902 -4.748 -4.591 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.369 -5.571 -3.601 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.952 -3.486 -3.796 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.688 -4.258 -5.378 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.269 -2.831 -4.914 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.683 -3.716 -2.002 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -1.984 -3.065 -3.028 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.178 -4.651 -2.244 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.282 -7.048 -5.638 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.552 -7.738 -5.433 1.00 10.00 C ATOM 1575 C LYS A 99 -5.358 -9.227 -5.131 1.00 10.00 C ATOM 1576 O LYS A 99 -5.834 -9.714 -4.108 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.465 -7.579 -6.662 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.441 -6.402 -6.531 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.590 -6.521 -7.546 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.137 -6.169 -8.972 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.041 -6.725 -9.999 1.00 10.00 N ATOM 0 H LYS A 99 -4.296 -6.402 -6.427 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.024 -7.275 -4.566 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.849 -7.437 -7.550 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.031 -8.499 -6.810 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.846 -6.372 -5.520 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.908 -5.464 -6.688 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.983 -7.537 -7.531 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.405 -5.860 -7.251 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -8.091 -5.085 -9.079 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -7.128 -6.548 -9.135 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -8.696 -6.462 -10.944 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.066 -7.761 -9.915 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.999 -6.344 -9.862 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.695 -9.964 -6.027 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.454 -11.374 -5.817 1.00 10.00 C ATOM 1597 C LYS A 100 -3.435 -11.530 -4.692 1.00 10.00 C ATOM 1598 O LYS A 100 -3.674 -12.294 -3.769 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.014 -12.013 -7.138 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.496 -13.446 -6.956 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.365 -14.549 -7.576 1.00 10.00 C ATOM 1602 CE LYS A 100 -5.725 -14.676 -6.866 1.00 10.00 C ATOM 1603 NZ LYS A 100 -6.142 -16.085 -6.696 1.00 10.00 N ATOM 0 H LYS A 100 -4.320 -9.597 -6.902 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.359 -11.897 -5.507 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.855 -12.020 -7.832 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.232 -11.403 -7.590 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.497 -13.510 -7.387 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.396 -13.644 -5.889 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.526 -14.334 -8.632 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -3.837 -15.501 -7.522 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -5.668 -14.196 -5.889 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.483 -14.142 -7.440 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -7.063 -16.119 -6.214 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -6.223 -16.538 -7.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.434 -16.590 -6.126 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.309 -10.827 -4.778 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.149 -11.058 -3.934 1.00 10.00 C ATOM 1619 C ALA A 101 -1.543 -10.998 -2.462 1.00 10.00 C ATOM 1620 O ALA A 101 -1.352 -11.926 -1.690 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.082 -10.020 -4.276 1.00 10.00 C ATOM 0 H ALA A 101 -2.179 -10.069 -5.448 1.00 10.00 H new ATOM 0 HA ALA A 101 -0.743 -12.053 -4.116 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.796 -10.181 -3.650 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.198 -10.118 -5.325 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.477 -9.020 -4.097 1.00 10.00 H new ATOM 1627 N THR A 102 -2.169 -9.897 -2.065 1.00 10.00 N ATOM 1628 CA THR A 102 -2.601 -9.752 -0.689 1.00 10.00 C ATOM 1629 C THR A 102 -3.558 -10.867 -0.262 1.00 10.00 C ATOM 1630 O THR A 102 -3.494 -11.329 0.876 1.00 10.00 O ATOM 1631 CB THR A 102 -3.221 -8.376 -0.519 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.300 -8.211 -1.413 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.131 -7.324 -0.752 1.00 10.00 C ATOM 0 H THR A 102 -2.385 -9.104 -2.670 1.00 10.00 H new ATOM 0 HA THR A 102 -1.736 -9.843 -0.032 1.00 10.00 H new ATOM 0 HB THR A 102 -3.619 -8.261 0.489 1.00 10.00 H new ATOM 0 HG1 THR A 102 -3.957 -7.973 -2.300 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.556 -6.327 -0.634 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.329 -7.464 -0.027 1.00 10.00 H new ATOM 0 HG23 THR A 102 -1.731 -7.431 -1.760 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.436 -11.294 -1.173 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.338 -12.413 -0.950 1.00 10.00 C ATOM 1643 C ASN A 103 -4.532 -13.693 -0.687 1.00 10.00 C ATOM 1644 O ASN A 103 -4.768 -14.360 0.318 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.289 -12.537 -2.150 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.528 -13.368 -1.854 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.443 -14.547 -1.536 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -8.708 -12.772 -2.007 1.00 10.00 N ATOM 0 H ASN A 103 -4.537 -10.865 -2.093 1.00 10.00 H new ATOM 0 HA ASN A 103 -5.949 -12.244 -0.063 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.596 -11.540 -2.466 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -5.751 -12.985 -2.986 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.569 -13.299 -1.859 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.752 -11.788 -2.273 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.563 -13.992 -1.561 1.00 10.00 N ATOM 1656 CA GLU A 104 -2.627 -15.102 -1.466 1.00 10.00 C ATOM 1657 C GLU A 104 -1.334 -14.745 -2.204 1.00 10.00 C ATOM 1658 O GLU A 104 -0.266 -14.827 -1.557 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.210 -16.362 -2.113 1.00 10.00 C ATOM 1660 CG GLU A 104 -4.228 -17.096 -1.233 1.00 10.00 C ATOM 1661 CD GLU A 104 -4.106 -18.600 -1.431 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -4.648 -19.082 -2.450 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -3.444 -19.234 -0.580 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.443 -14.450 -3.419 1.00 10.00 O ATOM 0 H GLU A 104 -3.409 -13.430 -2.398 1.00 10.00 H new ATOM 0 HA GLU A 104 -2.432 -15.291 -0.410 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.688 -16.088 -3.054 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -2.395 -17.044 -2.356 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.062 -16.845 -0.185 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.238 -16.770 -1.483 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.969 4.872 1.047 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.221 3.586 0.750 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.559 2.764 1.579 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.804 3.595 2.414 1.00 10.00 C HETATM 1676 C5 IMD A 105 3.077 4.898 2.097 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.368 5.685 0.578 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.668 5.785 2.581 1.00 10.00 H new HETATM 0 H4 IMD A 105 2.113 3.260 3.188 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.875 3.255 -0.056 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.613 0.801 1.606 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.187 0.806 3.960 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.330 0.194 -0.823 1.00 10.00 C HETATM 1684 CHC HEC A 110 6.108 0.992 -0.753 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.998 0.840 4.075 1.00 10.00 C HETATM 1686 NA HEC A 110 1.650 0.626 1.567 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.831 0.704 2.648 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.538 0.574 2.215 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.496 0.385 0.852 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.896 0.409 0.465 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.667 0.206 -0.087 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.777 0.720 3.086 1.00 10.00 C HETATM 1693 CBA HEC A 110 -1.842 1.972 3.993 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.505 3.294 3.283 1.00 10.00 C HETATM 1695 O1A HEC A 110 -1.057 3.251 2.119 1.00 10.00 O HETATM 1696 O2A HEC A 110 -1.695 4.366 3.905 1.00 10.00 O HETATM 1697 NB HEC A 110 3.708 0.640 -0.391 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.650 0.326 -1.182 1.00 10.00 C HETATM 1699 C2B HEC A 110 3.141 0.093 -2.521 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.474 0.440 -2.529 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.826 0.730 -1.158 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.360 -0.545 -3.650 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.420 0.410 -3.722 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.851 1.114 -4.959 1.00 10.00 C HETATM 1705 NC HEC A 110 5.658 0.936 1.651 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.471 1.007 0.563 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.843 1.081 1.011 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.811 0.939 2.381 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.417 0.874 2.764 1.00 10.00 C HETATM 1710 CMC HEC A 110 9.076 1.227 0.138 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.981 0.769 3.335 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.333 1.374 2.936 1.00 10.00 C HETATM 1713 ND HEC A 110 3.602 0.881 3.632 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.675 0.881 4.441 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.219 0.981 5.810 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.850 0.975 5.777 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.473 0.904 4.389 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.060 1.128 7.056 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.934 1.139 6.971 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.986 2.547 7.582 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.749 3.670 6.558 1.00 10.00 C HETATM 1722 O1D HEC A 110 0.750 4.401 6.729 1.00 10.00 O HETATM 1723 O2D HEC A 110 2.582 3.789 5.626 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.728 0.272 7.147 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.649 2.043 6.991 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.410 1.176 7.930 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 9.140 0.380 -0.546 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 9.009 2.152 -0.435 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.966 1.254 0.767 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 2.063 -1.554 -3.362 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.471 0.050 -3.859 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.983 -0.591 -4.543 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.237 -0.675 0.206 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.309 1.086 -0.040 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.300 0.078 -1.106 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 1.236 2.620 8.370 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.958 2.694 8.052 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.668 0.930 1.998 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.227 2.451 2.810 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 11.067 1.171 3.716 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.924 0.626 -5.261 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.651 2.159 -4.723 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.573 1.058 -5.774 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.844 2.047 4.416 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.153 1.837 4.827 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.910 0.918 6.669 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.206 0.409 7.733 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.652 0.724 2.436 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -1.855 -0.164 3.719 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.752 0.778 4.860 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.866 1.196 -1.509 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.603 -0.090 -1.584 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.394 0.809 4.708 1.00 10.00 H new HETATM 0 H2D HEC A 110 2.206 4.357 4.922 1.00 10.00 H new HETATM 0 H2A HEC A 110 -1.341 5.115 3.381 1.00 10.00 H new