USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 180:sc= 0.88 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.0452 X(o=-0.76,f=-1) USER MOD Set 1.3: A 95 ASN : amide:sc= -1.6! C(o=-0.76!,f=-7!) USER MOD Set 2.1: A 1 MET N :NH3+ 143:sc= 1.09 (180deg=1.07) USER MOD Set 2.2: A 91 ASN :FLIP amide:sc= -0.106 F(o=-0.34!,f=0.98) USER MOD Set 3.1: A 43 ASN : amide:sc= -3.54 K(o=-1.5,f=-5.2!) USER MOD Set 3.2: A 59 SER OG : rot 96:sc= 2.18 USER MOD Set 3.3: A 73 CYS SG : rot 180:sc= -0.145 USER MOD Set 4.1: A 53 GLN :FLIP amide:sc= 0.434 F(o=0,f=0.84) USER MOD Set 4.2: A 54 ASN :FLIP amide:sc= 0.407 F(o=-1.3!,f=0.84) USER MOD Set 5.1: A 14 ASN : amide:sc= 1.21 K(o=3.4,f=0.99) USER MOD Set 5.2: A 18 THR OG1 : rot -84:sc= 2.16 USER MOD Set 6.1: A 7 SER OG : rot 125:sc= 0.746 USER MOD Set 6.2: A 23 CYS SG : rot -90:sc= -0.569 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0592 (180deg=-0.424) USER MOD Single : A 2 SER OG : rot 180:sc= -1.22 USER MOD Single : A 3 TYR OH : rot 0:sc= -0.0353 USER MOD Single : A 9 ASN : amide:sc= 1.18 K(o=1.2,f=-0.88) USER MOD Single : A 13 THR OG1 : rot -129:sc= -2.06! USER MOD Single : A 25 ASN : amide:sc= -2.83! C(o=-2.8!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 142:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot -32:sc= 0.129 USER MOD Single : A 40 CYS SG : rot -34:sc= -2.27 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.18) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.131 (180deg=-0.44) USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= 1.63 (180deg=-0.452) USER MOD Single : A 72 THR OG1 : rot -165:sc= 1.21 USER MOD Single : A 76 LYS NZ :NH3+ 129:sc= 1.32 (180deg=0.971) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 86 GLN :FLIP amide:sc= -2.29 F(o=-6!,f=-2.3) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.145 F(o=-1.6!,f=-0.14) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.403 14.461 -0.908 1.00 0.00 N ATOM 2 CA MET A 1 0.950 14.001 -1.289 1.00 0.00 C ATOM 3 C MET A 1 1.315 12.750 -0.512 1.00 0.00 C ATOM 4 O MET A 1 0.949 12.600 0.651 1.00 0.00 O ATOM 5 CB MET A 1 1.991 15.100 -1.044 1.00 0.00 C ATOM 6 CG MET A 1 1.912 16.256 -2.034 1.00 0.00 C ATOM 7 SD MET A 1 0.362 17.177 -1.932 1.00 0.00 S ATOM 8 CE MET A 1 0.493 17.892 -0.294 1.00 0.00 C ATOM 0 H1 MET A 1 -0.425 15.501 -0.893 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.096 14.110 -1.599 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.641 14.096 0.036 1.00 0.00 H new ATOM 0 HA MET A 1 0.945 13.768 -2.354 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.863 15.490 -0.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.987 14.661 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.744 16.937 -1.854 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.030 15.868 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.218 18.712 -0.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.273 17.131 0.454 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.504 18.269 -0.141 1.00 0.00 H new ATOM 16 N SER A 2 2.012 11.845 -1.172 1.00 0.00 N ATOM 17 CA SER A 2 2.418 10.599 -0.555 1.00 0.00 C ATOM 18 C SER A 2 3.935 10.487 -0.520 1.00 0.00 C ATOM 19 O SER A 2 4.638 11.392 -0.971 1.00 0.00 O ATOM 20 CB SER A 2 1.817 9.418 -1.312 1.00 0.00 C ATOM 21 OG SER A 2 0.430 9.609 -1.524 1.00 0.00 O ATOM 0 H SER A 2 2.310 11.952 -2.142 1.00 0.00 H new ATOM 0 HA SER A 2 2.050 10.584 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.323 9.299 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.980 8.499 -0.749 1.00 0.00 H new ATOM 0 HG SER A 2 0.065 8.842 -2.012 1.00 0.00 H new ATOM 26 N TYR A 3 4.436 9.396 0.029 1.00 0.00 N ATOM 27 CA TYR A 3 5.872 9.168 0.106 1.00 0.00 C ATOM 28 C TYR A 3 6.515 9.200 -1.282 1.00 0.00 C ATOM 29 O TYR A 3 7.628 9.697 -1.443 1.00 0.00 O ATOM 30 CB TYR A 3 6.155 7.827 0.788 1.00 0.00 C ATOM 31 CG TYR A 3 5.711 6.615 -0.006 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.362 6.328 -0.187 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.645 5.759 -0.577 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.960 5.227 -0.911 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.249 4.654 -1.302 1.00 0.00 C ATOM 36 CZ TYR A 3 4.907 4.393 -1.467 1.00 0.00 C ATOM 37 OH TYR A 3 4.511 3.293 -2.191 1.00 0.00 O ATOM 0 H TYR A 3 3.869 8.649 0.431 1.00 0.00 H new ATOM 0 HA TYR A 3 6.310 9.971 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.225 7.749 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.657 7.814 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.618 6.979 0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.698 5.962 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.909 5.018 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.987 3.997 -1.738 1.00 0.00 H new ATOM 0 HH TYR A 3 3.532 3.251 -2.213 1.00 0.00 H new ATOM 46 N ALA A 4 5.783 8.706 -2.281 1.00 0.00 N ATOM 47 CA ALA A 4 6.269 8.647 -3.662 1.00 0.00 C ATOM 48 C ALA A 4 6.672 10.019 -4.199 1.00 0.00 C ATOM 49 O ALA A 4 7.464 10.113 -5.137 1.00 0.00 O ATOM 50 CB ALA A 4 5.212 8.024 -4.558 1.00 0.00 C ATOM 0 H ALA A 4 4.840 8.337 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 4 7.165 8.027 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.581 7.984 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.991 7.014 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.304 8.626 -4.523 1.00 0.00 H new ATOM 56 N ASP A 5 6.138 11.081 -3.600 1.00 0.00 N ATOM 57 CA ASP A 5 6.452 12.437 -4.015 1.00 0.00 C ATOM 58 C ASP A 5 7.917 12.769 -3.736 1.00 0.00 C ATOM 59 O ASP A 5 8.443 13.773 -4.216 1.00 0.00 O ATOM 60 CB ASP A 5 5.542 13.423 -3.290 1.00 0.00 C ATOM 61 CG ASP A 5 4.142 13.461 -3.868 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.932 14.186 -4.861 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.249 12.774 -3.325 1.00 0.00 O ATOM 0 H ASP A 5 5.482 11.023 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 5 6.286 12.516 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.488 13.153 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.979 14.420 -3.342 1.00 0.00 H new ATOM 67 N SER A 6 8.560 11.927 -2.940 1.00 0.00 N ATOM 68 CA SER A 6 9.961 12.089 -2.599 1.00 0.00 C ATOM 69 C SER A 6 10.584 10.715 -2.368 1.00 0.00 C ATOM 70 O SER A 6 11.469 10.544 -1.528 1.00 0.00 O ATOM 71 CB SER A 6 10.110 12.977 -1.358 1.00 0.00 C ATOM 72 OG SER A 6 9.210 12.581 -0.335 1.00 0.00 O ATOM 0 H SER A 6 8.122 11.111 -2.513 1.00 0.00 H new ATOM 0 HA SER A 6 10.482 12.579 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.134 12.921 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.925 14.017 -1.627 1.00 0.00 H new ATOM 0 HG SER A 6 9.326 13.162 0.446 1.00 0.00 H new ATOM 77 N SER A 7 10.105 9.735 -3.125 1.00 0.00 N ATOM 78 CA SER A 7 10.585 8.372 -3.011 1.00 0.00 C ATOM 79 C SER A 7 10.546 7.688 -4.376 1.00 0.00 C ATOM 80 O SER A 7 9.711 8.013 -5.223 1.00 0.00 O ATOM 81 CB SER A 7 9.732 7.601 -1.998 1.00 0.00 C ATOM 82 OG SER A 7 10.297 6.340 -1.690 1.00 0.00 O ATOM 0 H SER A 7 9.378 9.866 -3.829 1.00 0.00 H new ATOM 0 HA SER A 7 11.617 8.384 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.632 8.188 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.728 7.462 -2.399 1.00 0.00 H new ATOM 0 HG SER A 7 10.423 6.266 -0.721 1.00 0.00 H new ATOM 87 N ARG A 8 11.448 6.741 -4.579 1.00 0.00 N ATOM 88 CA ARG A 8 11.538 6.016 -5.840 1.00 0.00 C ATOM 89 C ARG A 8 11.562 4.511 -5.595 1.00 0.00 C ATOM 90 O ARG A 8 11.807 4.065 -4.471 1.00 0.00 O ATOM 91 CB ARG A 8 12.813 6.415 -6.592 1.00 0.00 C ATOM 92 CG ARG A 8 14.079 5.970 -5.887 1.00 0.00 C ATOM 93 CD ARG A 8 15.323 6.231 -6.716 1.00 0.00 C ATOM 94 NE ARG A 8 16.489 5.607 -6.104 1.00 0.00 N ATOM 95 CZ ARG A 8 17.747 5.809 -6.485 1.00 0.00 C ATOM 96 NH1 ARG A 8 18.024 6.636 -7.486 1.00 0.00 N ATOM 97 NH2 ARG A 8 18.723 5.178 -5.845 1.00 0.00 N ATOM 0 H ARG A 8 12.134 6.454 -3.881 1.00 0.00 H new ATOM 0 HA ARG A 8 10.662 6.271 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.789 5.982 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.833 7.498 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.164 6.492 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.012 4.906 -5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.183 5.841 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.486 7.305 -6.809 1.00 0.00 H new ATOM 0 HE ARG A 8 16.328 4.968 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.269 7.122 -7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.992 6.785 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.503 4.549 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.693 5.322 -6.125 1.00 0.00 H new ATOM 108 N ASN A 9 11.321 3.749 -6.657 1.00 0.00 N ATOM 109 CA ASN A 9 11.337 2.285 -6.607 1.00 0.00 C ATOM 110 C ASN A 9 10.469 1.740 -5.483 1.00 0.00 C ATOM 111 O ASN A 9 10.969 1.131 -4.535 1.00 0.00 O ATOM 112 CB ASN A 9 12.773 1.770 -6.462 1.00 0.00 C ATOM 113 CG ASN A 9 13.616 2.057 -7.685 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.112 2.085 -8.811 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.903 2.283 -7.477 1.00 0.00 N ATOM 0 H ASN A 9 11.108 4.127 -7.580 1.00 0.00 H new ATOM 0 HA ASN A 9 10.919 1.926 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.235 2.232 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.754 0.695 -6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.518 2.490 -8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.280 2.250 -6.530 1.00 0.00 H new ATOM 121 N ALA A 10 9.170 1.961 -5.589 1.00 0.00 N ATOM 122 CA ALA A 10 8.236 1.481 -4.587 1.00 0.00 C ATOM 123 C ALA A 10 7.725 0.098 -4.966 1.00 0.00 C ATOM 124 O ALA A 10 7.094 -0.077 -6.008 1.00 0.00 O ATOM 125 CB ALA A 10 7.079 2.455 -4.427 1.00 0.00 C ATOM 0 H ALA A 10 8.738 2.470 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 10 8.755 1.409 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.389 2.079 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.462 3.427 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.556 2.558 -5.378 1.00 0.00 H new ATOM 131 N VAL A 11 8.010 -0.882 -4.124 1.00 0.00 N ATOM 132 CA VAL A 11 7.593 -2.254 -4.373 1.00 0.00 C ATOM 133 C VAL A 11 6.677 -2.754 -3.261 1.00 0.00 C ATOM 134 O VAL A 11 6.572 -2.131 -2.199 1.00 0.00 O ATOM 135 CB VAL A 11 8.810 -3.201 -4.501 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.702 -2.781 -5.661 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.603 -3.251 -3.203 1.00 0.00 C ATOM 0 H VAL A 11 8.531 -0.752 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 11 7.048 -2.257 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 11 8.434 -4.204 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.551 -3.461 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.132 -2.815 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.063 -1.766 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.452 -3.924 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.963 -2.252 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.962 -3.613 -2.399 1.00 0.00 H new ATOM 147 N LEU A 12 6.024 -3.883 -3.512 1.00 0.00 N ATOM 148 CA LEU A 12 5.110 -4.475 -2.543 1.00 0.00 C ATOM 149 C LEU A 12 5.754 -5.689 -1.895 1.00 0.00 C ATOM 150 O LEU A 12 6.061 -6.673 -2.569 1.00 0.00 O ATOM 151 CB LEU A 12 3.790 -4.898 -3.213 1.00 0.00 C ATOM 152 CG LEU A 12 2.889 -3.766 -3.723 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.680 -2.723 -2.638 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.457 -3.135 -4.987 1.00 0.00 C ATOM 0 H LEU A 12 6.111 -4.408 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 12 4.892 -3.723 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.027 -5.550 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.220 -5.493 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 12 1.919 -4.194 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.039 -1.927 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.208 -3.188 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.643 -2.304 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.796 -2.336 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.444 -2.724 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.538 -3.892 -5.767 1.00 0.00 H new ATOM 165 N THR A 13 5.961 -5.620 -0.592 1.00 0.00 N ATOM 166 CA THR A 13 6.577 -6.719 0.130 1.00 0.00 C ATOM 167 C THR A 13 5.586 -7.403 1.065 1.00 0.00 C ATOM 168 O THR A 13 4.498 -6.871 1.336 1.00 0.00 O ATOM 169 CB THR A 13 7.813 -6.249 0.924 1.00 0.00 C ATOM 170 OG1 THR A 13 7.495 -5.087 1.704 1.00 0.00 O ATOM 171 CG2 THR A 13 8.960 -5.932 -0.019 1.00 0.00 C ATOM 0 H THR A 13 5.713 -4.817 -0.014 1.00 0.00 H new ATOM 0 HA THR A 13 6.900 -7.444 -0.617 1.00 0.00 H new ATOM 0 HB THR A 13 8.115 -7.055 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.161 -4.388 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.824 -5.602 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.222 -6.825 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.658 -5.141 -0.706 1.00 0.00 H new ATOM 179 N ASN A 14 5.957 -8.604 1.514 1.00 0.00 N ATOM 180 CA ASN A 14 5.142 -9.400 2.431 1.00 0.00 C ATOM 181 C ASN A 14 3.796 -9.775 1.811 1.00 0.00 C ATOM 182 O ASN A 14 2.765 -9.763 2.481 1.00 0.00 O ATOM 183 CB ASN A 14 4.940 -8.654 3.754 1.00 0.00 C ATOM 184 CG ASN A 14 6.196 -8.605 4.604 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.000 -9.537 4.605 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.380 -7.510 5.323 1.00 0.00 N ATOM 0 H ASN A 14 6.834 -9.052 1.250 1.00 0.00 H new ATOM 0 HA ASN A 14 5.679 -10.327 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.610 -7.637 3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.144 -9.138 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.212 -7.416 5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.690 -6.759 5.295 1.00 0.00 H new ATOM 192 N GLY A 15 3.809 -10.097 0.523 1.00 0.00 N ATOM 193 CA GLY A 15 2.585 -10.487 -0.158 1.00 0.00 C ATOM 194 C GLY A 15 1.776 -9.307 -0.662 1.00 0.00 C ATOM 195 O GLY A 15 0.785 -9.485 -1.373 1.00 0.00 O ATOM 0 H GLY A 15 4.644 -10.096 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.836 -11.133 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.970 -11.076 0.523 1.00 0.00 H new ATOM 199 N GLY A 16 2.175 -8.104 -0.280 1.00 0.00 N ATOM 200 CA GLY A 16 1.472 -6.924 -0.722 1.00 0.00 C ATOM 201 C GLY A 16 0.805 -6.219 0.429 1.00 0.00 C ATOM 202 O GLY A 16 -0.401 -5.984 0.420 1.00 0.00 O ATOM 0 H GLY A 16 2.974 -7.926 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.170 -6.245 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.723 -7.201 -1.464 1.00 0.00 H new ATOM 206 N ARG A 17 1.592 -5.916 1.442 1.00 0.00 N ATOM 207 CA ARG A 17 1.086 -5.237 2.621 1.00 0.00 C ATOM 208 C ARG A 17 2.058 -4.161 3.076 1.00 0.00 C ATOM 209 O ARG A 17 1.655 -3.112 3.581 1.00 0.00 O ATOM 210 CB ARG A 17 0.842 -6.237 3.752 1.00 0.00 C ATOM 211 CG ARG A 17 2.029 -7.145 4.015 1.00 0.00 C ATOM 212 CD ARG A 17 1.798 -8.056 5.205 1.00 0.00 C ATOM 213 NE ARG A 17 1.813 -7.320 6.462 1.00 0.00 N ATOM 214 CZ ARG A 17 2.481 -7.700 7.547 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.193 -8.824 7.546 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.433 -6.954 8.640 1.00 0.00 N ATOM 0 H ARG A 17 2.589 -6.130 1.473 1.00 0.00 H new ATOM 0 HA ARG A 17 0.139 -4.764 2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.601 -5.692 4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.027 -6.848 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.226 -7.749 3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.917 -6.538 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.840 -8.564 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.568 -8.828 5.227 1.00 0.00 H new ATOM 0 HE ARG A 17 1.275 -6.455 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.230 -9.403 6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.702 -9.106 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.886 -6.093 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.943 -7.240 9.476 1.00 0.00 H new ATOM 227 N THR A 18 3.338 -4.429 2.891 1.00 0.00 N ATOM 228 CA THR A 18 4.373 -3.503 3.278 1.00 0.00 C ATOM 229 C THR A 18 4.912 -2.761 2.057 1.00 0.00 C ATOM 230 O THR A 18 5.140 -3.361 1.005 1.00 0.00 O ATOM 231 CB THR A 18 5.516 -4.259 3.970 1.00 0.00 C ATOM 232 OG1 THR A 18 4.966 -5.238 4.867 1.00 0.00 O ATOM 233 CG2 THR A 18 6.413 -3.306 4.741 1.00 0.00 C ATOM 0 H THR A 18 3.683 -5.292 2.470 1.00 0.00 H new ATOM 0 HA THR A 18 3.948 -2.776 3.970 1.00 0.00 H new ATOM 0 HB THR A 18 6.118 -4.751 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.755 -4.814 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.214 -3.868 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.843 -2.576 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.827 -2.789 5.501 1.00 0.00 H new ATOM 241 N LEU A 19 5.074 -1.456 2.193 1.00 0.00 N ATOM 242 CA LEU A 19 5.597 -0.631 1.115 1.00 0.00 C ATOM 243 C LEU A 19 7.091 -0.448 1.274 1.00 0.00 C ATOM 244 O LEU A 19 7.544 0.131 2.258 1.00 0.00 O ATOM 245 CB LEU A 19 4.936 0.749 1.103 1.00 0.00 C ATOM 246 CG LEU A 19 3.479 0.785 0.666 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.964 2.213 0.710 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.325 0.207 -0.732 1.00 0.00 C ATOM 0 H LEU A 19 4.850 -0.941 3.045 1.00 0.00 H new ATOM 0 HA LEU A 19 5.378 -1.141 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.005 1.172 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.509 1.399 0.442 1.00 0.00 H new ATOM 0 HG LEU A 19 2.891 0.175 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.920 2.233 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.045 2.598 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.557 2.834 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.276 0.242 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.919 0.792 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.670 -0.827 -0.738 1.00 0.00 H new ATOM 259 N ARG A 20 7.854 -0.948 0.322 1.00 0.00 N ATOM 260 CA ARG A 20 9.297 -0.803 0.365 1.00 0.00 C ATOM 261 C ARG A 20 9.745 0.130 -0.748 1.00 0.00 C ATOM 262 O ARG A 20 9.508 -0.145 -1.923 1.00 0.00 O ATOM 263 CB ARG A 20 9.972 -2.161 0.202 1.00 0.00 C ATOM 264 CG ARG A 20 11.489 -2.089 0.249 1.00 0.00 C ATOM 265 CD ARG A 20 12.112 -3.460 0.080 1.00 0.00 C ATOM 266 NE ARG A 20 11.685 -4.377 1.130 1.00 0.00 N ATOM 267 CZ ARG A 20 12.210 -5.575 1.341 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.182 -6.034 0.559 1.00 0.00 N ATOM 269 NH2 ARG A 20 11.746 -6.318 2.334 1.00 0.00 N ATOM 0 H ARG A 20 7.501 -1.457 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 20 9.583 -0.385 1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.623 -2.829 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.665 -2.599 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.848 -1.425 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.805 -1.658 1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.838 -3.867 -0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.198 -3.371 0.094 1.00 0.00 H new ATOM 0 HE ARG A 20 10.929 -4.075 1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.530 -5.463 -0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.580 -6.958 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.993 -5.966 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.141 -7.242 2.507 1.00 0.00 H new ATOM 280 N ALA A 21 10.390 1.227 -0.389 1.00 0.00 N ATOM 281 CA ALA A 21 10.847 2.182 -1.383 1.00 0.00 C ATOM 282 C ALA A 21 12.049 2.968 -0.886 1.00 0.00 C ATOM 283 O ALA A 21 12.362 2.958 0.306 1.00 0.00 O ATOM 284 CB ALA A 21 9.715 3.134 -1.740 1.00 0.00 C ATOM 0 H ALA A 21 10.608 1.477 0.576 1.00 0.00 H new ATOM 0 HA ALA A 21 11.153 1.628 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.062 3.849 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.876 2.567 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.394 3.669 -0.846 1.00 0.00 H new ATOM 290 N GLU A 22 12.721 3.638 -1.811 1.00 0.00 N ATOM 291 CA GLU A 22 13.862 4.470 -1.478 1.00 0.00 C ATOM 292 C GLU A 22 13.346 5.871 -1.227 1.00 0.00 C ATOM 293 O GLU A 22 12.940 6.560 -2.160 1.00 0.00 O ATOM 294 CB GLU A 22 14.893 4.469 -2.614 1.00 0.00 C ATOM 295 CG GLU A 22 15.514 3.101 -2.852 1.00 0.00 C ATOM 296 CD GLU A 22 16.442 3.071 -4.044 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.525 3.684 -3.977 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.099 2.425 -5.054 1.00 0.00 O ATOM 0 H GLU A 22 12.491 3.619 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 22 14.364 4.083 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.414 4.809 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.682 5.185 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.066 2.799 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.720 2.369 -2.999 1.00 0.00 H new ATOM 303 N CYS A 23 13.308 6.270 0.027 1.00 0.00 N ATOM 304 CA CYS A 23 12.802 7.580 0.386 1.00 0.00 C ATOM 305 C CYS A 23 13.934 8.578 0.532 1.00 0.00 C ATOM 306 O CYS A 23 14.971 8.275 1.117 1.00 0.00 O ATOM 307 CB CYS A 23 12.000 7.482 1.679 1.00 0.00 C ATOM 308 SG CYS A 23 10.625 6.311 1.593 1.00 0.00 S ATOM 0 H CYS A 23 13.622 5.706 0.817 1.00 0.00 H new ATOM 0 HA CYS A 23 12.150 7.935 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.667 7.187 2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.611 8.469 1.931 1.00 0.00 H new ATOM 0 HG CYS A 23 9.556 6.927 1.184 1.00 0.00 H new ATOM 313 N ARG A 24 13.743 9.754 -0.036 1.00 0.00 N ATOM 314 CA ARG A 24 14.728 10.801 0.030 1.00 0.00 C ATOM 315 C ARG A 24 14.687 11.472 1.399 1.00 0.00 C ATOM 316 O ARG A 24 13.706 12.135 1.745 1.00 0.00 O ATOM 317 CB ARG A 24 14.438 11.800 -1.077 1.00 0.00 C ATOM 318 CG ARG A 24 15.659 12.521 -1.592 1.00 0.00 C ATOM 319 CD ARG A 24 15.413 13.023 -2.999 1.00 0.00 C ATOM 320 NE ARG A 24 14.298 13.967 -3.058 1.00 0.00 N ATOM 321 CZ ARG A 24 13.453 14.069 -4.089 1.00 0.00 C ATOM 322 NH1 ARG A 24 13.619 13.311 -5.168 1.00 0.00 N ATOM 323 NH2 ARG A 24 12.444 14.930 -4.040 1.00 0.00 N ATOM 0 H ARG A 24 12.900 10.004 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 24 15.729 10.391 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.961 11.278 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.723 12.536 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.900 13.358 -0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.518 11.850 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.316 13.505 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.207 12.177 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 24 14.156 14.588 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.393 12.648 -5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.972 13.392 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.312 15.515 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.800 15.007 -4.827 1.00 0.00 H new ATOM 334 N ASN A 25 15.738 11.271 2.183 1.00 0.00 N ATOM 335 CA ASN A 25 15.815 11.854 3.514 1.00 0.00 C ATOM 336 C ASN A 25 16.136 13.340 3.427 1.00 0.00 C ATOM 337 O ASN A 25 16.509 13.828 2.353 1.00 0.00 O ATOM 338 CB ASN A 25 16.848 11.122 4.398 1.00 0.00 C ATOM 339 CG ASN A 25 18.281 11.226 3.898 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.657 12.179 3.229 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.100 10.246 4.233 1.00 0.00 N ATOM 0 H ASN A 25 16.548 10.709 1.920 1.00 0.00 H new ATOM 0 HA ASN A 25 14.839 11.735 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.797 11.528 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.573 10.069 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.075 10.271 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.758 9.464 4.792 1.00 0.00 H new ATOM 347 N ALA A 26 16.022 14.043 4.551 1.00 0.00 N ATOM 348 CA ALA A 26 16.283 15.483 4.602 1.00 0.00 C ATOM 349 C ALA A 26 17.681 15.822 4.092 1.00 0.00 C ATOM 350 O ALA A 26 17.895 16.868 3.472 1.00 0.00 O ATOM 351 CB ALA A 26 16.101 15.997 6.021 1.00 0.00 C ATOM 0 H ALA A 26 15.749 13.637 5.446 1.00 0.00 H new ATOM 0 HA ALA A 26 15.565 15.975 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.297 17.069 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.079 15.807 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.796 15.484 6.686 1.00 0.00 H new ATOM 357 N ASP A 27 18.624 14.920 4.334 1.00 0.00 N ATOM 358 CA ASP A 27 20.005 15.111 3.904 1.00 0.00 C ATOM 359 C ASP A 27 20.109 15.052 2.378 1.00 0.00 C ATOM 360 O ASP A 27 21.103 15.476 1.787 1.00 0.00 O ATOM 361 CB ASP A 27 20.894 14.042 4.545 1.00 0.00 C ATOM 362 CG ASP A 27 22.357 14.186 4.179 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.061 14.978 4.839 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.814 13.496 3.245 1.00 0.00 O ATOM 0 H ASP A 27 18.457 14.044 4.829 1.00 0.00 H new ATOM 0 HA ASP A 27 20.343 16.096 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.790 14.094 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.545 13.056 4.238 1.00 0.00 H new ATOM 368 N GLY A 28 19.056 14.553 1.749 1.00 0.00 N ATOM 369 CA GLY A 28 19.033 14.433 0.307 1.00 0.00 C ATOM 370 C GLY A 28 19.607 13.111 -0.137 1.00 0.00 C ATOM 371 O GLY A 28 20.304 13.031 -1.145 1.00 0.00 O ATOM 0 H GLY A 28 18.210 14.227 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.008 14.527 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.603 15.248 -0.138 1.00 0.00 H new ATOM 375 N ASN A 29 19.322 12.069 0.628 1.00 0.00 N ATOM 376 CA ASN A 29 19.832 10.736 0.321 1.00 0.00 C ATOM 377 C ASN A 29 18.697 9.733 0.216 1.00 0.00 C ATOM 378 O ASN A 29 17.588 9.998 0.669 1.00 0.00 O ATOM 379 CB ASN A 29 20.799 10.281 1.412 1.00 0.00 C ATOM 380 CG ASN A 29 21.734 9.183 0.938 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.042 9.085 -0.248 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.192 8.354 1.860 1.00 0.00 N ATOM 0 H ASN A 29 18.742 12.117 1.465 1.00 0.00 H new ATOM 0 HA ASN A 29 20.351 10.787 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.387 11.134 1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.231 9.924 2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 29 22.825 7.599 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 29 21.912 8.470 2.834 1.00 0.00 H new ATOM 388 N TRP A 30 18.982 8.581 -0.367 1.00 0.00 N ATOM 389 CA TRP A 30 17.980 7.538 -0.518 1.00 0.00 C ATOM 390 C TRP A 30 18.113 6.496 0.580 1.00 0.00 C ATOM 391 O TRP A 30 19.187 5.930 0.785 1.00 0.00 O ATOM 392 CB TRP A 30 18.107 6.852 -1.876 1.00 0.00 C ATOM 393 CG TRP A 30 17.832 7.755 -3.033 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.728 8.192 -3.960 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.572 8.337 -3.384 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.101 8.999 -4.873 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.777 9.106 -4.540 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.291 8.280 -2.834 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.749 9.809 -5.158 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.269 8.981 -3.448 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.503 9.737 -4.599 1.00 0.00 C ATOM 0 H TRP A 30 19.900 8.344 -0.744 1.00 0.00 H new ATOM 0 HA TRP A 30 17.002 8.013 -0.446 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.114 6.446 -1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.418 6.009 -1.913 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.778 7.940 -3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.549 9.448 -5.672 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.101 7.698 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.928 10.392 -6.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.274 8.943 -3.031 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.685 10.274 -5.056 1.00 0.00 H new ATOM 411 N VAL A 31 17.027 6.264 1.294 1.00 0.00 N ATOM 412 CA VAL A 31 17.001 5.272 2.355 1.00 0.00 C ATOM 413 C VAL A 31 15.820 4.329 2.159 1.00 0.00 C ATOM 414 O VAL A 31 14.724 4.765 1.811 1.00 0.00 O ATOM 415 CB VAL A 31 16.929 5.918 3.756 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.291 6.451 4.172 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.905 7.036 3.790 1.00 0.00 C ATOM 0 H VAL A 31 16.143 6.754 1.157 1.00 0.00 H new ATOM 0 HA VAL A 31 17.934 4.712 2.299 1.00 0.00 H new ATOM 0 HB VAL A 31 16.621 5.146 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.218 6.902 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.010 5.632 4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.623 7.202 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.876 7.472 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.180 7.803 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.922 6.637 3.540 1.00 0.00 H new ATOM 427 N THR A 32 16.046 3.043 2.368 1.00 0.00 N ATOM 428 CA THR A 32 15.000 2.054 2.191 1.00 0.00 C ATOM 429 C THR A 32 14.138 1.941 3.439 1.00 0.00 C ATOM 430 O THR A 32 14.580 1.435 4.472 1.00 0.00 O ATOM 431 CB THR A 32 15.593 0.676 1.856 1.00 0.00 C ATOM 432 OG1 THR A 32 16.467 0.786 0.723 1.00 0.00 O ATOM 433 CG2 THR A 32 14.491 -0.331 1.554 1.00 0.00 C ATOM 0 H THR A 32 16.945 2.661 2.661 1.00 0.00 H new ATOM 0 HA THR A 32 14.379 2.386 1.359 1.00 0.00 H new ATOM 0 HB THR A 32 16.155 0.325 2.721 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.844 -0.094 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.936 -1.298 1.320 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.842 -0.431 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.906 0.015 0.702 1.00 0.00 H new ATOM 441 N SER A 33 12.912 2.416 3.335 1.00 0.00 N ATOM 442 CA SER A 33 11.979 2.362 4.442 1.00 0.00 C ATOM 443 C SER A 33 10.761 1.537 4.060 1.00 0.00 C ATOM 444 O SER A 33 10.375 1.490 2.888 1.00 0.00 O ATOM 445 CB SER A 33 11.564 3.772 4.858 1.00 0.00 C ATOM 446 OG SER A 33 12.660 4.486 5.412 1.00 0.00 O ATOM 0 H SER A 33 12.538 2.846 2.489 1.00 0.00 H new ATOM 0 HA SER A 33 12.469 1.885 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.176 4.310 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.756 3.716 5.588 1.00 0.00 H new ATOM 0 HG SER A 33 12.617 5.423 5.129 1.00 0.00 H new ATOM 451 N GLU A 34 10.174 0.875 5.046 1.00 0.00 N ATOM 452 CA GLU A 34 9.003 0.048 4.823 1.00 0.00 C ATOM 453 C GLU A 34 7.886 0.419 5.787 1.00 0.00 C ATOM 454 O GLU A 34 8.137 0.793 6.937 1.00 0.00 O ATOM 455 CB GLU A 34 9.340 -1.437 4.974 1.00 0.00 C ATOM 456 CG GLU A 34 10.279 -1.971 3.907 1.00 0.00 C ATOM 457 CD GLU A 34 10.404 -3.480 3.950 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.089 -4.000 4.855 1.00 0.00 O ATOM 459 OE2 GLU A 34 9.831 -4.153 3.067 1.00 0.00 O ATOM 0 H GLU A 34 10.494 0.897 6.014 1.00 0.00 H new ATOM 0 HA GLU A 34 8.665 0.228 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.791 -1.599 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.415 -2.013 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.918 -1.667 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.264 -1.524 4.037 1.00 0.00 H new ATOM 464 N LEU A 35 6.657 0.324 5.310 1.00 0.00 N ATOM 465 CA LEU A 35 5.494 0.637 6.124 1.00 0.00 C ATOM 466 C LEU A 35 4.395 -0.378 5.842 1.00 0.00 C ATOM 467 O LEU A 35 4.074 -0.649 4.684 1.00 0.00 O ATOM 468 CB LEU A 35 5.003 2.062 5.825 1.00 0.00 C ATOM 469 CG LEU A 35 4.122 2.722 6.897 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.740 2.095 6.935 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.786 2.623 8.259 1.00 0.00 C ATOM 0 H LEU A 35 6.438 0.031 4.358 1.00 0.00 H new ATOM 0 HA LEU A 35 5.765 0.586 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.874 2.696 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.444 2.041 4.889 1.00 0.00 H new ATOM 0 HG LEU A 35 4.006 3.774 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.140 2.583 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.258 2.218 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.828 1.033 7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.151 3.095 9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.934 1.574 8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.751 3.129 8.231 1.00 0.00 H new ATOM 482 N ASP A 36 3.830 -0.941 6.898 1.00 0.00 N ATOM 483 CA ASP A 36 2.763 -1.926 6.762 1.00 0.00 C ATOM 484 C ASP A 36 1.418 -1.227 6.684 1.00 0.00 C ATOM 485 O ASP A 36 0.953 -0.652 7.663 1.00 0.00 O ATOM 486 CB ASP A 36 2.754 -2.893 7.947 1.00 0.00 C ATOM 487 CG ASP A 36 4.064 -3.626 8.123 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.412 -4.454 7.262 1.00 0.00 O ATOM 489 OD2 ASP A 36 4.758 -3.368 9.129 1.00 0.00 O ATOM 0 H ASP A 36 4.092 -0.734 7.862 1.00 0.00 H new ATOM 0 HA ASP A 36 2.943 -2.490 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.529 -2.339 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.953 -3.620 7.809 1.00 0.00 H new ATOM 493 N LEU A 37 0.796 -1.268 5.521 1.00 0.00 N ATOM 494 CA LEU A 37 -0.500 -0.628 5.336 1.00 0.00 C ATOM 495 C LEU A 37 -1.628 -1.550 5.777 1.00 0.00 C ATOM 496 O LEU A 37 -2.727 -1.096 6.092 1.00 0.00 O ATOM 497 CB LEU A 37 -0.714 -0.257 3.870 1.00 0.00 C ATOM 498 CG LEU A 37 0.545 0.067 3.076 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.178 0.399 1.644 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.304 1.217 3.711 1.00 0.00 C ATOM 0 H LEU A 37 1.162 -1.735 4.691 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.509 0.274 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.229 -1.082 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.380 0.605 3.827 1.00 0.00 H new ATOM 0 HG LEU A 37 1.195 -0.808 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.082 0.630 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.324 -0.455 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.488 1.261 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.199 1.429 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.669 2.102 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.591 0.947 4.727 1.00 0.00 H new ATOM 511 N ASP A 38 -1.342 -2.847 5.831 1.00 0.00 N ATOM 512 CA ASP A 38 -2.350 -3.838 6.202 1.00 0.00 C ATOM 513 C ASP A 38 -2.774 -3.702 7.657 1.00 0.00 C ATOM 514 O ASP A 38 -3.692 -4.384 8.105 1.00 0.00 O ATOM 515 CB ASP A 38 -1.841 -5.257 5.944 1.00 0.00 C ATOM 516 CG ASP A 38 -0.793 -5.686 6.945 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.333 -5.153 6.895 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.087 -6.571 7.771 1.00 0.00 O ATOM 0 H ASP A 38 -0.423 -3.237 5.623 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.222 -3.650 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.679 -5.953 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.423 -5.313 4.939 1.00 0.00 H new ATOM 522 N THR A 39 -2.112 -2.825 8.392 1.00 0.00 N ATOM 523 CA THR A 39 -2.446 -2.611 9.784 1.00 0.00 C ATOM 524 C THR A 39 -3.596 -1.604 9.908 1.00 0.00 C ATOM 525 O THR A 39 -4.145 -1.402 10.992 1.00 0.00 O ATOM 526 CB THR A 39 -1.214 -2.133 10.591 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.479 -2.202 11.997 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.823 -0.710 10.218 1.00 0.00 C ATOM 0 H THR A 39 -1.342 -2.252 8.046 1.00 0.00 H new ATOM 0 HA THR A 39 -2.768 -3.564 10.203 1.00 0.00 H new ATOM 0 HB THR A 39 -0.384 -2.796 10.344 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.431 -2.033 12.159 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.045 -0.406 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.579 -0.666 9.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.655 -0.037 10.427 1.00 0.00 H new ATOM 536 N CYS A 40 -3.967 -0.977 8.791 1.00 0.00 N ATOM 537 CA CYS A 40 -5.058 -0.009 8.804 1.00 0.00 C ATOM 538 C CYS A 40 -5.942 -0.125 7.558 1.00 0.00 C ATOM 539 O CYS A 40 -6.965 0.548 7.456 1.00 0.00 O ATOM 540 CB CYS A 40 -4.507 1.411 8.935 1.00 0.00 C ATOM 541 SG CYS A 40 -5.768 2.663 9.282 1.00 0.00 S ATOM 0 H CYS A 40 -3.534 -1.121 7.879 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.682 -0.232 9.669 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.763 1.429 9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.991 1.676 8.012 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.876 2.340 8.684 1.00 0.00 H new ATOM 546 N ILE A 41 -5.559 -0.973 6.610 1.00 0.00 N ATOM 547 CA ILE A 41 -6.353 -1.162 5.402 1.00 0.00 C ATOM 548 C ILE A 41 -7.055 -2.511 5.450 1.00 0.00 C ATOM 549 O ILE A 41 -6.456 -3.520 5.833 1.00 0.00 O ATOM 550 CB ILE A 41 -5.503 -1.093 4.110 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.802 0.260 3.990 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.376 -1.342 2.884 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.962 0.400 2.737 1.00 0.00 C ATOM 0 H ILE A 41 -4.710 -1.537 6.654 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.076 -0.347 5.373 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.742 -1.871 4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.552 1.051 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.165 0.408 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.763 -1.290 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.831 -2.330 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.158 -0.584 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.495 1.385 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.189 -0.368 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.597 0.284 1.859 1.00 0.00 H new ATOM 564 N GLY A 42 -8.319 -2.525 5.064 1.00 0.00 N ATOM 565 CA GLY A 42 -9.079 -3.752 5.060 1.00 0.00 C ATOM 566 C GLY A 42 -10.088 -3.782 3.938 1.00 0.00 C ATOM 567 O GLY A 42 -10.519 -2.732 3.462 1.00 0.00 O ATOM 0 H GLY A 42 -8.834 -1.702 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.401 -4.600 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.593 -3.864 6.015 1.00 0.00 H new ATOM 571 N ASN A 43 -10.454 -4.982 3.506 1.00 0.00 N ATOM 572 CA ASN A 43 -11.424 -5.145 2.425 1.00 0.00 C ATOM 573 C ASN A 43 -12.147 -6.500 2.480 1.00 0.00 C ATOM 574 O ASN A 43 -12.291 -7.163 1.455 1.00 0.00 O ATOM 575 CB ASN A 43 -10.725 -5.007 1.068 1.00 0.00 C ATOM 576 CG ASN A 43 -9.499 -5.900 0.936 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.346 -6.897 1.637 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.626 -5.553 0.011 1.00 0.00 N ATOM 0 H ASN A 43 -10.095 -5.858 3.886 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.172 -4.362 2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.432 -5.251 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.428 -3.968 0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.791 -6.119 -0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.785 -4.718 -0.553 1.00 0.00 H new ATOM 584 N PRO A 44 -12.668 -6.918 3.652 1.00 0.00 N ATOM 585 CA PRO A 44 -13.353 -8.211 3.775 1.00 0.00 C ATOM 586 C PRO A 44 -14.681 -8.235 3.023 1.00 0.00 C ATOM 587 O PRO A 44 -15.167 -9.295 2.629 1.00 0.00 O ATOM 588 CB PRO A 44 -13.585 -8.355 5.280 1.00 0.00 C ATOM 589 CG PRO A 44 -13.611 -6.958 5.793 1.00 0.00 C ATOM 590 CD PRO A 44 -12.664 -6.176 4.929 1.00 0.00 C ATOM 0 HA PRO A 44 -12.767 -9.024 3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.522 -8.871 5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.790 -8.935 5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.618 -6.543 5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.304 -6.922 6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.999 -5.147 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.666 -6.133 5.365 1.00 0.00 H new ATOM 595 N ASN A 45 -15.250 -7.056 2.812 1.00 0.00 N ATOM 596 CA ASN A 45 -16.525 -6.934 2.114 1.00 0.00 C ATOM 597 C ASN A 45 -16.310 -6.730 0.621 1.00 0.00 C ATOM 598 O ASN A 45 -17.267 -6.600 -0.139 1.00 0.00 O ATOM 599 CB ASN A 45 -17.337 -5.762 2.671 1.00 0.00 C ATOM 600 CG ASN A 45 -17.621 -5.889 4.156 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.680 -6.989 4.703 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.810 -4.760 4.817 1.00 0.00 N ATOM 0 H ASN A 45 -14.849 -6.168 3.114 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.076 -7.861 2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.796 -4.833 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.281 -5.692 2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.013 -4.782 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.753 -3.867 4.328 1.00 0.00 H new ATOM 608 N GLY A 46 -15.055 -6.708 0.201 1.00 0.00 N ATOM 609 CA GLY A 46 -14.758 -6.504 -1.200 1.00 0.00 C ATOM 610 C GLY A 46 -14.522 -5.045 -1.524 1.00 0.00 C ATOM 611 O GLY A 46 -14.400 -4.670 -2.689 1.00 0.00 O ATOM 0 H GLY A 46 -14.240 -6.827 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.875 -7.083 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.584 -6.880 -1.804 1.00 0.00 H new ATOM 615 N PHE A 47 -14.470 -4.214 -0.493 1.00 0.00 N ATOM 616 CA PHE A 47 -14.245 -2.791 -0.678 1.00 0.00 C ATOM 617 C PHE A 47 -13.017 -2.334 0.092 1.00 0.00 C ATOM 618 O PHE A 47 -12.838 -2.682 1.256 1.00 0.00 O ATOM 619 CB PHE A 47 -15.473 -1.991 -0.249 1.00 0.00 C ATOM 620 CG PHE A 47 -16.690 -2.294 -1.075 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.674 -2.099 -2.447 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.848 -2.770 -0.481 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.791 -2.375 -3.212 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.969 -3.047 -1.242 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.940 -2.849 -2.609 1.00 0.00 C ATOM 0 H PHE A 47 -14.581 -4.502 0.479 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.070 -2.611 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.690 -2.203 0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.249 -0.927 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.779 -1.727 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.875 -2.926 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.766 -2.220 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.866 -3.418 -0.768 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.814 -3.064 -3.205 1.00 0.00 H new ATOM 634 N LEU A 48 -12.181 -1.555 -0.577 1.00 0.00 N ATOM 635 CA LEU A 48 -10.950 -1.046 0.009 1.00 0.00 C ATOM 636 C LEU A 48 -11.193 0.222 0.812 1.00 0.00 C ATOM 637 O LEU A 48 -12.073 1.020 0.486 1.00 0.00 O ATOM 638 CB LEU A 48 -9.937 -0.757 -1.095 1.00 0.00 C ATOM 639 CG LEU A 48 -9.224 -1.979 -1.662 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.542 -1.634 -2.970 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.207 -2.495 -0.661 1.00 0.00 C ATOM 0 H LEU A 48 -12.336 -1.258 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.563 -1.808 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.449 -0.245 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.188 -0.068 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.962 -2.758 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.038 -2.517 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.286 -1.292 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.811 -0.843 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.702 -3.368 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.474 -1.716 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.714 -2.772 0.263 1.00 0.00 H new ATOM 652 N GLY A 49 -10.404 0.396 1.859 1.00 0.00 N ATOM 653 CA GLY A 49 -10.521 1.567 2.690 1.00 0.00 C ATOM 654 C GLY A 49 -9.693 1.452 3.949 1.00 0.00 C ATOM 655 O GLY A 49 -9.185 0.374 4.270 1.00 0.00 O ATOM 0 H GLY A 49 -9.679 -0.261 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.204 2.445 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.567 1.720 2.956 1.00 0.00 H new ATOM 659 N TRP A 50 -9.557 2.557 4.658 1.00 0.00 N ATOM 660 CA TRP A 50 -8.788 2.586 5.889 1.00 0.00 C ATOM 661 C TRP A 50 -9.721 2.402 7.080 1.00 0.00 C ATOM 662 O TRP A 50 -10.702 3.135 7.232 1.00 0.00 O ATOM 663 CB TRP A 50 -8.026 3.911 6.014 1.00 0.00 C ATOM 664 CG TRP A 50 -6.999 4.137 4.937 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.196 4.719 3.715 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.608 3.796 4.995 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.011 4.759 3.013 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.026 4.194 3.775 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.798 3.191 5.956 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.676 4.007 3.497 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.458 3.006 5.679 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.909 3.412 4.458 1.00 0.00 C ATOM 0 H TRP A 50 -9.972 3.452 4.400 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.063 1.773 5.872 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.742 4.732 5.995 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.531 3.942 6.985 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.142 5.093 3.353 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.888 5.147 2.078 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.212 2.872 6.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.250 4.321 2.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.823 2.540 6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.857 3.252 4.271 1.00 0.00 H new ATOM 682 N GLY A 51 -9.425 1.416 7.914 1.00 0.00 N ATOM 683 CA GLY A 51 -10.248 1.148 9.075 1.00 0.00 C ATOM 684 C GLY A 51 -10.017 -0.243 9.634 1.00 0.00 C ATOM 685 O GLY A 51 -9.724 -0.401 10.818 1.00 0.00 O ATOM 0 H GLY A 51 -8.624 0.793 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.036 1.888 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.299 1.260 8.807 1.00 0.00 H new ATOM 689 N MET A 52 -10.142 -1.251 8.779 1.00 0.00 N ATOM 690 CA MET A 52 -9.946 -2.638 9.193 1.00 0.00 C ATOM 691 C MET A 52 -8.480 -3.026 8.991 1.00 0.00 C ATOM 692 O MET A 52 -7.636 -2.155 8.809 1.00 0.00 O ATOM 693 CB MET A 52 -10.879 -3.555 8.395 1.00 0.00 C ATOM 694 CG MET A 52 -11.405 -4.741 9.192 1.00 0.00 C ATOM 695 SD MET A 52 -12.344 -4.233 10.644 1.00 0.00 S ATOM 696 CE MET A 52 -12.801 -5.825 11.325 1.00 0.00 C ATOM 0 H MET A 52 -10.378 -1.135 7.794 1.00 0.00 H new ATOM 0 HA MET A 52 -10.189 -2.748 10.250 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.724 -2.970 8.031 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.347 -3.925 7.519 1.00 0.00 H new ATOM 0 HG2 MET A 52 -12.038 -5.354 8.550 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.568 -5.365 9.505 1.00 0.00 H new ATOM 0 HE1 MET A 52 -13.389 -5.678 12.231 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.393 -6.377 10.595 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.900 -6.390 11.564 1.00 0.00 H new ATOM 704 N GLN A 53 -8.166 -4.318 9.016 1.00 0.00 N ATOM 705 CA GLN A 53 -6.786 -4.753 8.856 1.00 0.00 C ATOM 706 C GLN A 53 -6.690 -6.087 8.118 1.00 0.00 C ATOM 707 O GLN A 53 -7.702 -6.754 7.885 1.00 0.00 O ATOM 708 CB GLN A 53 -6.123 -4.877 10.229 1.00 0.00 C ATOM 709 CG GLN A 53 -6.828 -5.855 11.157 1.00 0.00 C ATOM 710 CD GLN A 53 -6.108 -6.029 12.479 1.00 0.00 C ATOM 711 OE1 GLN A 53 -6.491 -5.248 13.475 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -5.221 -6.872 12.606 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.841 -5.072 9.144 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.269 -4.003 8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.089 -5.195 10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.097 -3.895 10.701 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.843 -5.505 11.344 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.911 -6.823 10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.954 -7.455 11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.752 -6.988 13.504 1.00 0.00 H new ATOM 719 N ASN A 54 -5.458 -6.457 7.759 1.00 0.00 N ATOM 720 CA ASN A 54 -5.162 -7.714 7.062 1.00 0.00 C ATOM 721 C ASN A 54 -5.794 -7.778 5.674 1.00 0.00 C ATOM 722 O ASN A 54 -6.204 -8.848 5.224 1.00 0.00 O ATOM 723 CB ASN A 54 -5.616 -8.924 7.890 1.00 0.00 C ATOM 724 CG ASN A 54 -4.676 -9.244 9.041 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.975 -8.723 10.220 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.699 -9.974 8.872 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.631 -5.889 7.945 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.080 -7.745 6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.614 -8.733 8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.693 -9.795 7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.502 -10.356 7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.087 -10.196 9.657 1.00 0.00 H new ATOM 732 N PHE A 55 -5.844 -6.645 4.980 1.00 0.00 N ATOM 733 CA PHE A 55 -6.433 -6.605 3.641 1.00 0.00 C ATOM 734 C PHE A 55 -5.618 -7.439 2.654 1.00 0.00 C ATOM 735 O PHE A 55 -6.161 -7.995 1.709 1.00 0.00 O ATOM 736 CB PHE A 55 -6.539 -5.164 3.121 1.00 0.00 C ATOM 737 CG PHE A 55 -5.272 -4.625 2.506 1.00 0.00 C ATOM 738 CD1 PHE A 55 -4.210 -4.234 3.300 1.00 0.00 C ATOM 739 CD2 PHE A 55 -5.152 -4.508 1.128 1.00 0.00 C ATOM 740 CE1 PHE A 55 -3.049 -3.738 2.737 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.995 -4.014 0.559 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.941 -3.628 1.364 1.00 0.00 C ATOM 0 H PHE A 55 -5.488 -5.750 5.316 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.435 -7.027 3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.336 -5.117 2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.832 -4.514 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.288 -4.317 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.973 -4.807 0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.227 -3.437 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.914 -3.929 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.035 -3.241 0.921 1.00 0.00 H new ATOM 751 N SER A 56 -4.315 -7.535 2.900 1.00 0.00 N ATOM 752 CA SER A 56 -3.412 -8.269 2.021 1.00 0.00 C ATOM 753 C SER A 56 -3.837 -9.728 1.842 1.00 0.00 C ATOM 754 O SER A 56 -3.715 -10.285 0.751 1.00 0.00 O ATOM 755 CB SER A 56 -1.985 -8.199 2.567 1.00 0.00 C ATOM 756 OG SER A 56 -1.051 -8.690 1.624 1.00 0.00 O ATOM 0 H SER A 56 -3.859 -7.110 3.707 1.00 0.00 H new ATOM 0 HA SER A 56 -3.454 -7.798 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.741 -7.168 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.916 -8.779 3.487 1.00 0.00 H new ATOM 0 HG SER A 56 -0.147 -8.632 1.998 1.00 0.00 H new ATOM 761 N HIS A 57 -4.353 -10.340 2.902 1.00 0.00 N ATOM 762 CA HIS A 57 -4.780 -11.736 2.837 1.00 0.00 C ATOM 763 C HIS A 57 -6.161 -11.855 2.207 1.00 0.00 C ATOM 764 O HIS A 57 -6.643 -12.954 1.932 1.00 0.00 O ATOM 765 CB HIS A 57 -4.776 -12.375 4.226 1.00 0.00 C ATOM 766 CG HIS A 57 -3.412 -12.465 4.838 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.261 -12.601 4.091 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.011 -12.413 6.130 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.217 -12.633 4.894 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.642 -12.520 6.136 1.00 0.00 N ATOM 0 H HIS A 57 -4.486 -9.897 3.811 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.067 -12.271 2.209 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.424 -11.797 4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.202 -13.376 4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.649 -12.307 6.995 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.187 -12.735 4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.050 -12.513 6.967 1.00 0.00 H new ATOM 778 N SER A 58 -6.782 -10.716 1.960 1.00 0.00 N ATOM 779 CA SER A 58 -8.099 -10.682 1.364 1.00 0.00 C ATOM 780 C SER A 58 -8.053 -9.940 0.031 1.00 0.00 C ATOM 781 O SER A 58 -9.047 -9.383 -0.414 1.00 0.00 O ATOM 782 CB SER A 58 -9.089 -10.018 2.326 1.00 0.00 C ATOM 783 OG SER A 58 -8.988 -10.589 3.624 1.00 0.00 O ATOM 0 H SER A 58 -6.389 -9.797 2.166 1.00 0.00 H new ATOM 0 HA SER A 58 -8.434 -11.702 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.891 -8.947 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.105 -10.136 1.949 1.00 0.00 H new ATOM 0 HG SER A 58 -9.627 -10.151 4.225 1.00 0.00 H new ATOM 788 N SER A 59 -6.885 -9.931 -0.607 1.00 0.00 N ATOM 789 CA SER A 59 -6.734 -9.254 -1.891 1.00 0.00 C ATOM 790 C SER A 59 -5.919 -10.089 -2.863 1.00 0.00 C ATOM 791 O SER A 59 -4.925 -10.710 -2.488 1.00 0.00 O ATOM 792 CB SER A 59 -6.047 -7.900 -1.722 1.00 0.00 C ATOM 793 OG SER A 59 -6.642 -7.141 -0.694 1.00 0.00 O ATOM 0 H SER A 59 -6.038 -10.380 -0.260 1.00 0.00 H new ATOM 0 HA SER A 59 -7.738 -9.109 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.991 -8.052 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.097 -7.346 -2.660 1.00 0.00 H new ATOM 0 HG SER A 59 -6.138 -7.264 0.137 1.00 0.00 H new ATOM 798 N GLU A 60 -6.340 -10.083 -4.112 1.00 0.00 N ATOM 799 CA GLU A 60 -5.653 -10.816 -5.156 1.00 0.00 C ATOM 800 C GLU A 60 -4.955 -9.836 -6.075 1.00 0.00 C ATOM 801 O GLU A 60 -5.496 -8.770 -6.372 1.00 0.00 O ATOM 802 CB GLU A 60 -6.629 -11.666 -5.966 1.00 0.00 C ATOM 803 CG GLU A 60 -7.514 -12.549 -5.114 1.00 0.00 C ATOM 804 CD GLU A 60 -6.748 -13.617 -4.365 1.00 0.00 C ATOM 805 OE1 GLU A 60 -6.584 -14.729 -4.909 1.00 0.00 O ATOM 806 OE2 GLU A 60 -6.328 -13.360 -3.221 1.00 0.00 O ATOM 0 H GLU A 60 -7.164 -9.573 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.925 -11.481 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.257 -11.009 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.065 -12.291 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.053 -11.929 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.261 -13.025 -5.750 1.00 0.00 H new ATOM 811 N ASP A 61 -3.764 -10.205 -6.508 1.00 0.00 N ATOM 812 CA ASP A 61 -2.956 -9.373 -7.405 1.00 0.00 C ATOM 813 C ASP A 61 -2.795 -7.953 -6.856 1.00 0.00 C ATOM 814 O ASP A 61 -3.441 -7.011 -7.315 1.00 0.00 O ATOM 815 CB ASP A 61 -3.571 -9.336 -8.811 1.00 0.00 C ATOM 816 CG ASP A 61 -2.736 -8.533 -9.790 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.577 -8.921 -10.042 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.240 -7.526 -10.328 1.00 0.00 O ATOM 0 H ASP A 61 -3.322 -11.088 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.965 -9.823 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.681 -10.355 -9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.572 -8.907 -8.755 1.00 0.00 H new ATOM 822 N ILE A 62 -1.939 -7.809 -5.859 1.00 0.00 N ATOM 823 CA ILE A 62 -1.690 -6.509 -5.256 1.00 0.00 C ATOM 824 C ILE A 62 -0.543 -5.807 -5.972 1.00 0.00 C ATOM 825 O ILE A 62 0.563 -6.343 -6.072 1.00 0.00 O ATOM 826 CB ILE A 62 -1.381 -6.642 -3.750 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.573 -7.284 -3.036 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.054 -5.281 -3.143 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.330 -7.575 -1.570 1.00 0.00 C ATOM 0 H ILE A 62 -1.405 -8.575 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.594 -5.909 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.507 -7.281 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.436 -6.624 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.829 -8.214 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.839 -5.398 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.183 -4.859 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.905 -4.612 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.221 -8.029 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.488 -8.260 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.105 -6.646 -1.047 1.00 0.00 H new ATOM 840 N LYS A 63 -0.822 -4.620 -6.492 1.00 0.00 N ATOM 841 CA LYS A 63 0.169 -3.848 -7.223 1.00 0.00 C ATOM 842 C LYS A 63 -0.060 -2.352 -7.000 1.00 0.00 C ATOM 843 O LYS A 63 -1.139 -1.942 -6.582 1.00 0.00 O ATOM 844 CB LYS A 63 0.052 -4.176 -8.713 1.00 0.00 C ATOM 845 CG LYS A 63 1.220 -3.697 -9.552 1.00 0.00 C ATOM 846 CD LYS A 63 2.438 -4.591 -9.386 1.00 0.00 C ATOM 847 CE LYS A 63 3.619 -4.066 -10.185 1.00 0.00 C ATOM 848 NZ LYS A 63 3.238 -3.740 -11.584 1.00 0.00 N ATOM 0 H LYS A 63 -1.734 -4.169 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 63 1.167 -4.103 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.044 -5.256 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.865 -3.731 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.928 -3.672 -10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.477 -2.676 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.707 -4.651 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.197 -5.603 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.019 -3.175 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.415 -4.811 -10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.096 -3.648 -12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.640 -4.500 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.711 -2.843 -11.600 1.00 0.00 H new ATOM 858 N LEU A 64 0.959 -1.543 -7.251 1.00 0.00 N ATOM 859 CA LEU A 64 0.837 -0.099 -7.100 1.00 0.00 C ATOM 860 C LEU A 64 0.460 0.535 -8.434 1.00 0.00 C ATOM 861 O LEU A 64 1.085 0.277 -9.464 1.00 0.00 O ATOM 862 CB LEU A 64 2.135 0.492 -6.554 1.00 0.00 C ATOM 863 CG LEU A 64 2.364 0.237 -5.068 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.796 0.570 -4.682 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.387 1.047 -4.236 1.00 0.00 C ATOM 0 H LEU A 64 1.878 -1.860 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 64 0.045 0.118 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.973 0.079 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.133 1.568 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 64 2.194 -0.821 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.939 0.381 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.482 -0.053 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.995 1.620 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.563 0.854 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.528 2.108 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.367 0.761 -4.492 1.00 0.00 H new ATOM 876 N GLU A 65 -0.570 1.370 -8.390 1.00 0.00 N ATOM 877 CA GLU A 65 -1.096 2.036 -9.571 1.00 0.00 C ATOM 878 C GLU A 65 -0.219 3.215 -9.982 1.00 0.00 C ATOM 879 O GLU A 65 0.422 3.190 -11.028 1.00 0.00 O ATOM 880 CB GLU A 65 -2.521 2.516 -9.283 1.00 0.00 C ATOM 881 CG GLU A 65 -3.270 3.021 -10.505 1.00 0.00 C ATOM 882 CD GLU A 65 -3.514 1.933 -11.532 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.554 0.744 -11.151 1.00 0.00 O ATOM 884 OE2 GLU A 65 -3.675 2.265 -12.728 1.00 0.00 O ATOM 0 H GLU A 65 -1.065 1.604 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.102 1.325 -10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.085 1.696 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.480 3.314 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.226 3.441 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.702 3.829 -10.966 1.00 0.00 H new ATOM 889 N GLU A 66 -0.178 4.239 -9.139 1.00 0.00 N ATOM 890 CA GLU A 66 0.602 5.438 -9.422 1.00 0.00 C ATOM 891 C GLU A 66 2.026 5.300 -8.911 1.00 0.00 C ATOM 892 O GLU A 66 2.650 6.280 -8.505 1.00 0.00 O ATOM 893 CB GLU A 66 -0.054 6.655 -8.782 1.00 0.00 C ATOM 894 CG GLU A 66 -1.539 6.740 -9.053 1.00 0.00 C ATOM 895 CD GLU A 66 -2.153 8.017 -8.526 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.010 9.068 -9.187 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.788 7.974 -7.454 1.00 0.00 O ATOM 0 H GLU A 66 -0.678 4.263 -8.250 1.00 0.00 H new ATOM 0 HA GLU A 66 0.634 5.568 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.112 6.625 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.429 7.558 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.713 6.673 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.038 5.885 -8.596 1.00 0.00 H new ATOM 902 N GLY A 67 2.523 4.078 -8.919 1.00 0.00 N ATOM 903 CA GLY A 67 3.870 3.819 -8.460 1.00 0.00 C ATOM 904 C GLY A 67 4.041 4.031 -6.969 1.00 0.00 C ATOM 905 O GLY A 67 5.162 4.190 -6.489 1.00 0.00 O ATOM 0 H GLY A 67 2.015 3.253 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.141 2.793 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.561 4.470 -8.995 1.00 0.00 H new ATOM 909 N GLY A 68 2.935 4.054 -6.228 1.00 0.00 N ATOM 910 CA GLY A 68 3.032 4.235 -4.795 1.00 0.00 C ATOM 911 C GLY A 68 2.001 5.193 -4.242 1.00 0.00 C ATOM 912 O GLY A 68 1.678 5.145 -3.061 1.00 0.00 O ATOM 0 H GLY A 68 1.987 3.952 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.919 3.268 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.028 4.602 -4.549 1.00 0.00 H new ATOM 916 N ARG A 69 1.468 6.061 -5.091 1.00 0.00 N ATOM 917 CA ARG A 69 0.473 7.025 -4.641 1.00 0.00 C ATOM 918 C ARG A 69 -0.876 6.339 -4.469 1.00 0.00 C ATOM 919 O ARG A 69 -1.752 6.811 -3.742 1.00 0.00 O ATOM 920 CB ARG A 69 0.341 8.163 -5.651 1.00 0.00 C ATOM 921 CG ARG A 69 -0.209 9.447 -5.059 1.00 0.00 C ATOM 922 CD ARG A 69 0.908 10.413 -4.713 1.00 0.00 C ATOM 923 NE ARG A 69 1.593 10.889 -5.913 1.00 0.00 N ATOM 924 CZ ARG A 69 1.634 12.166 -6.288 1.00 0.00 C ATOM 925 NH1 ARG A 69 1.064 13.100 -5.532 1.00 0.00 N ATOM 926 NH2 ARG A 69 2.238 12.511 -7.416 1.00 0.00 N ATOM 0 H ARG A 69 1.703 6.118 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 69 0.796 7.435 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.320 8.365 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.310 7.841 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.891 9.915 -5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.787 9.219 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.500 11.262 -4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.624 9.922 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 69 2.068 10.202 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.595 12.838 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.096 14.078 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.674 11.797 -8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.267 13.490 -7.700 1.00 0.00 H new ATOM 937 N LYS A 70 -1.024 5.207 -5.133 1.00 0.00 N ATOM 938 CA LYS A 70 -2.258 4.451 -5.094 1.00 0.00 C ATOM 939 C LYS A 70 -1.965 2.966 -5.229 1.00 0.00 C ATOM 940 O LYS A 70 -1.117 2.572 -6.029 1.00 0.00 O ATOM 941 CB LYS A 70 -3.157 4.900 -6.243 1.00 0.00 C ATOM 942 CG LYS A 70 -4.586 4.385 -6.154 1.00 0.00 C ATOM 943 CD LYS A 70 -5.415 4.799 -7.365 1.00 0.00 C ATOM 944 CE LYS A 70 -6.180 6.100 -7.139 1.00 0.00 C ATOM 945 NZ LYS A 70 -5.294 7.261 -6.851 1.00 0.00 N ATOM 0 H LYS A 70 -0.295 4.789 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.758 4.627 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.176 5.989 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.720 4.565 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.576 3.298 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.054 4.766 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.758 4.914 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.121 4.004 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.779 6.319 -8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.874 5.966 -6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.813 8.145 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.989 7.227 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.460 7.223 -7.471 1.00 0.00 H new ATOM 955 N LEU A 71 -2.654 2.156 -4.450 1.00 0.00 N ATOM 956 CA LEU A 71 -2.481 0.712 -4.490 1.00 0.00 C ATOM 957 C LEU A 71 -3.716 0.080 -5.123 1.00 0.00 C ATOM 958 O LEU A 71 -4.837 0.327 -4.680 1.00 0.00 O ATOM 959 CB LEU A 71 -2.259 0.178 -3.067 1.00 0.00 C ATOM 960 CG LEU A 71 -1.941 -1.319 -2.940 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.145 -1.579 -1.672 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.212 -2.155 -2.926 1.00 0.00 C ATOM 0 H LEU A 71 -3.347 2.475 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.608 0.455 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.442 0.740 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.153 0.388 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.349 -1.609 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.925 -2.644 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.212 -1.017 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.727 -1.263 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.953 -3.210 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.832 -1.860 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.763 -1.995 -3.853 1.00 0.00 H new ATOM 973 N THR A 72 -3.518 -0.708 -6.167 1.00 0.00 N ATOM 974 CA THR A 72 -4.623 -1.366 -6.837 1.00 0.00 C ATOM 975 C THR A 72 -4.514 -2.880 -6.712 1.00 0.00 C ATOM 976 O THR A 72 -3.481 -3.481 -7.022 1.00 0.00 O ATOM 977 CB THR A 72 -4.714 -0.963 -8.323 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.402 -0.840 -8.894 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.475 0.343 -8.475 1.00 0.00 C ATOM 0 H THR A 72 -2.601 -0.906 -6.568 1.00 0.00 H new ATOM 0 HA THR A 72 -5.537 -1.037 -6.342 1.00 0.00 H new ATOM 0 HB THR A 72 -5.254 -1.746 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.460 -0.362 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.529 0.612 -9.530 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.483 0.225 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.959 1.131 -7.926 1.00 0.00 H new ATOM 987 N CYS A 73 -5.590 -3.487 -6.253 1.00 0.00 N ATOM 988 CA CYS A 73 -5.648 -4.924 -6.069 1.00 0.00 C ATOM 989 C CYS A 73 -7.086 -5.385 -6.177 1.00 0.00 C ATOM 990 O CYS A 73 -7.996 -4.575 -6.346 1.00 0.00 O ATOM 991 CB CYS A 73 -5.080 -5.311 -4.701 1.00 0.00 C ATOM 992 SG CYS A 73 -5.941 -4.559 -3.296 1.00 0.00 S ATOM 0 H CYS A 73 -6.448 -2.999 -5.997 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.049 -5.406 -6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.119 -6.395 -4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.029 -5.025 -4.663 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.387 -4.951 -2.187 1.00 0.00 H new ATOM 997 N ARG A 74 -7.296 -6.677 -6.116 1.00 0.00 N ATOM 998 CA ARG A 74 -8.637 -7.208 -6.181 1.00 0.00 C ATOM 999 C ARG A 74 -9.054 -7.737 -4.817 1.00 0.00 C ATOM 1000 O ARG A 74 -8.678 -8.843 -4.428 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.727 -8.293 -7.252 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.001 -9.115 -7.189 1.00 0.00 C ATOM 1003 CD ARG A 74 -9.984 -10.238 -8.204 1.00 0.00 C ATOM 1004 NE ARG A 74 -10.842 -11.342 -7.792 1.00 0.00 N ATOM 1005 CZ ARG A 74 -10.426 -12.607 -7.722 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -9.196 -12.929 -8.113 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -11.243 -13.551 -7.278 1.00 0.00 N ATOM 0 H ARG A 74 -6.561 -7.378 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.326 -6.410 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.655 -7.827 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.871 -8.960 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.120 -9.529 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.861 -8.471 -7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.314 -9.860 -9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.963 -10.598 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.810 -11.136 -7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.568 -12.207 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.881 -13.897 -8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.191 -13.310 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.924 -14.518 -7.225 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.814 -6.934 -4.065 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.298 -7.314 -2.739 1.00 0.00 C ATOM 1020 C PRO A 75 -11.295 -8.452 -2.835 1.00 0.00 C ATOM 1021 O PRO A 75 -12.301 -8.339 -3.531 1.00 0.00 O ATOM 1022 CB PRO A 75 -10.987 -6.045 -2.232 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.374 -5.316 -3.466 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.276 -5.592 -4.452 1.00 0.00 C ATOM 0 HA PRO A 75 -9.500 -7.662 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.858 -6.283 -1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.317 -5.449 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.336 -5.663 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.473 -4.247 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.641 -5.571 -5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.477 -4.854 -4.383 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.009 -9.549 -2.159 1.00 0.00 N ATOM 1030 CA LYS A 76 -11.885 -10.697 -2.194 1.00 0.00 C ATOM 1031 C LYS A 76 -12.393 -11.057 -0.802 1.00 0.00 C ATOM 1032 O LYS A 76 -11.697 -10.865 0.194 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.188 -11.888 -2.867 1.00 0.00 C ATOM 1034 CG LYS A 76 -9.850 -12.299 -2.261 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.022 -13.151 -1.010 1.00 0.00 C ATOM 1036 CE LYS A 76 -8.948 -14.224 -0.893 1.00 0.00 C ATOM 1037 NZ LYS A 76 -7.570 -13.667 -0.883 1.00 0.00 N ATOM 0 H LYS A 76 -10.177 -9.666 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.758 -10.436 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.860 -12.745 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.031 -11.647 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.274 -12.855 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.275 -11.406 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.990 -12.510 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.004 -13.623 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.110 -14.794 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.046 -14.921 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.046 -14.052 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.084 -13.928 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.615 -12.631 -0.806 1.00 0.00 H new ATOM 1047 N THR A 77 -13.618 -11.565 -0.737 1.00 0.00 N ATOM 1048 CA THR A 77 -14.196 -11.964 0.532 1.00 0.00 C ATOM 1049 C THR A 77 -13.563 -13.265 0.979 1.00 0.00 C ATOM 1050 O THR A 77 -13.367 -14.172 0.168 1.00 0.00 O ATOM 1051 CB THR A 77 -15.727 -12.158 0.459 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.219 -12.565 1.736 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.110 -13.204 -0.578 1.00 0.00 C ATOM 0 H THR A 77 -14.224 -11.708 -1.545 1.00 0.00 H new ATOM 0 HA THR A 77 -13.999 -11.161 1.242 1.00 0.00 H new ATOM 0 HB THR A 77 -16.171 -11.206 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.190 -12.686 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.194 -13.313 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.756 -12.890 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.654 -14.159 -0.317 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.254 -13.346 2.265 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.633 -14.529 2.843 1.00 0.00 C ATOM 1063 C VAL A 78 -13.627 -15.677 2.958 1.00 0.00 C ATOM 1064 O VAL A 78 -13.240 -16.818 3.206 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.039 -14.230 4.234 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -10.899 -13.235 4.117 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.110 -13.709 5.184 1.00 0.00 C ATOM 0 H VAL A 78 -13.426 -12.596 2.935 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.828 -14.822 2.169 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.649 -15.161 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.489 -13.033 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.119 -13.649 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.269 -12.307 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.665 -13.506 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.538 -12.791 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.895 -14.457 5.293 1.00 0.00 H new ATOM 1077 N ASP A 79 -14.906 -15.367 2.773 1.00 0.00 N ATOM 1078 CA ASP A 79 -15.954 -16.376 2.843 1.00 0.00 C ATOM 1079 C ASP A 79 -15.777 -17.410 1.743 1.00 0.00 C ATOM 1080 O ASP A 79 -16.088 -18.587 1.928 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.338 -15.732 2.736 1.00 0.00 C ATOM 1082 CG ASP A 79 -17.803 -15.122 4.041 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -17.410 -13.978 4.347 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.565 -15.789 4.771 1.00 0.00 O ATOM 0 H ASP A 79 -15.241 -14.424 2.573 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.875 -16.874 3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.316 -14.960 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.059 -16.483 2.414 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.275 -16.969 0.598 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.063 -17.880 -0.510 1.00 0.00 C ATOM 1090 C GLY A 80 -13.844 -17.531 -1.342 1.00 0.00 C ATOM 1091 O GLY A 80 -13.289 -18.390 -2.022 1.00 0.00 O ATOM 0 H GLY A 80 -15.011 -16.001 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.954 -18.893 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.945 -17.876 -1.150 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.429 -16.273 -1.289 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.277 -15.833 -2.051 1.00 0.00 C ATOM 1097 C GLY A 81 -12.680 -15.149 -3.336 1.00 0.00 C ATOM 1098 O GLY A 81 -11.859 -14.935 -4.225 1.00 0.00 O ATOM 0 H GLY A 81 -13.872 -15.545 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.682 -15.149 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.644 -16.690 -2.279 1.00 0.00 H new ATOM 1102 N PHE A 82 -13.949 -14.791 -3.421 1.00 0.00 N ATOM 1103 CA PHE A 82 -14.486 -14.150 -4.618 1.00 0.00 C ATOM 1104 C PHE A 82 -14.873 -12.713 -4.326 1.00 0.00 C ATOM 1105 O PHE A 82 -15.153 -12.395 -3.178 1.00 0.00 O ATOM 1106 CB PHE A 82 -15.697 -14.935 -5.137 1.00 0.00 C ATOM 1107 CG PHE A 82 -16.725 -15.247 -4.081 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.763 -14.369 -3.817 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -16.648 -16.423 -3.352 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.701 -14.656 -2.845 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -17.583 -16.714 -2.379 1.00 0.00 C ATOM 1112 CZ PHE A 82 -18.610 -15.830 -2.125 1.00 0.00 C ATOM 0 H PHE A 82 -14.632 -14.932 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.713 -14.146 -5.387 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.172 -14.364 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.349 -15.869 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.840 -13.449 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.847 -17.120 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.505 -13.962 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.510 -17.633 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.342 -16.056 -1.364 1.00 0.00 H new ATOM 1121 N ARG A 83 -14.872 -11.856 -5.357 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.261 -10.447 -5.219 1.00 0.00 C ATOM 1123 C ARG A 83 -14.874 -9.643 -6.459 1.00 0.00 C ATOM 1124 O ARG A 83 -14.750 -10.195 -7.554 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.634 -9.824 -3.983 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.607 -9.067 -3.089 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.592 -10.001 -2.398 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.673 -10.414 -3.290 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.766 -11.068 -2.900 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.962 -11.359 -1.619 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.674 -11.418 -3.798 1.00 0.00 N ATOM 0 H ARG A 83 -14.603 -12.119 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.345 -10.420 -5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.160 -10.611 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.844 -9.142 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.049 -8.508 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.156 -8.338 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.063 -10.883 -2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.013 -9.502 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.585 -10.186 -4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.272 -11.081 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.803 -11.860 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.534 -11.187 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.513 -11.919 -3.506 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.653 -8.345 -6.272 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.334 -7.443 -7.372 1.00 0.00 C ATOM 1144 C GLU A 84 -12.933 -6.852 -7.212 1.00 0.00 C ATOM 1145 O GLU A 84 -12.213 -7.192 -6.280 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.356 -6.301 -7.399 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.808 -6.745 -7.287 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.220 -7.715 -8.374 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.342 -7.296 -9.546 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.428 -8.903 -8.064 1.00 0.00 O ATOM 0 H GLU A 84 -14.690 -7.892 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.368 -8.010 -8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.136 -5.615 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.232 -5.742 -8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.965 -7.211 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.454 -5.868 -7.328 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.558 -5.970 -8.134 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.256 -5.306 -8.091 1.00 0.00 C ATOM 1157 C ARG A 85 -11.451 -3.848 -7.681 1.00 0.00 C ATOM 1158 O ARG A 85 -12.527 -3.289 -7.894 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.570 -5.384 -9.458 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.116 -4.939 -9.449 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.496 -5.050 -10.832 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.070 -4.722 -10.830 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.257 -4.966 -11.858 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.733 -5.525 -12.964 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.968 -4.651 -11.779 1.00 0.00 N ATOM 0 H ARG A 85 -13.141 -5.696 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.620 -5.808 -7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.622 -6.410 -9.821 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.123 -4.767 -10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.051 -3.908 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.551 -5.550 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.633 -6.064 -11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.019 -4.382 -11.517 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.677 -4.283 -9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.722 -5.768 -13.028 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.110 -5.711 -13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.599 -4.222 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.348 -4.839 -12.567 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.423 -3.228 -7.109 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.533 -1.835 -6.665 1.00 0.00 C ATOM 1178 C GLN A 86 -9.156 -1.234 -6.353 1.00 0.00 C ATOM 1179 O GLN A 86 -8.157 -1.948 -6.283 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.431 -1.775 -5.420 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.795 -0.366 -4.973 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.639 -0.346 -3.716 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.427 -1.388 -3.509 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.570 0.592 -2.924 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.513 -3.658 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.972 -1.247 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.349 -2.327 -5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.927 -2.285 -4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.881 0.202 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.335 0.136 -5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.950 1.379 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.132 0.583 -2.073 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.111 0.084 -6.187 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.873 0.763 -5.859 1.00 0.00 C ATOM 1193 C GLY A 87 -8.047 1.701 -4.678 1.00 0.00 C ATOM 1194 O GLY A 87 -9.101 2.318 -4.521 1.00 0.00 O ATOM 0 H GLY A 87 -9.920 0.699 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.103 0.026 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.526 1.327 -6.725 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.023 1.802 -3.842 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.069 2.667 -2.669 1.00 0.00 C ATOM 1200 C ILE A 88 -5.871 3.614 -2.655 1.00 0.00 C ATOM 1201 O ILE A 88 -4.751 3.225 -2.997 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.105 1.845 -1.353 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.045 2.769 -0.131 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.968 0.828 -1.318 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.145 2.038 1.190 1.00 0.00 C ATOM 0 H ILE A 88 -6.146 1.293 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.988 3.250 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.049 1.301 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.111 3.330 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.855 3.496 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.013 0.264 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.065 0.145 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.012 1.348 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.095 2.757 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.091 1.499 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.320 1.331 1.278 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.118 4.864 -2.287 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.063 5.867 -2.227 1.00 0.00 C ATOM 1218 C ASP A 89 -4.209 5.699 -0.980 1.00 0.00 C ATOM 1219 O ASP A 89 -4.728 5.499 0.120 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.650 7.278 -2.256 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.974 7.745 -3.657 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.037 8.114 -4.393 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.164 7.750 -4.028 1.00 0.00 O ATOM 0 H ASP A 89 -7.042 5.208 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.432 5.724 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.556 7.303 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.943 7.971 -1.801 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.900 5.797 -1.159 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.961 5.655 -0.054 1.00 0.00 C ATOM 1229 C LEU A 90 -1.398 7.004 0.347 1.00 0.00 C ATOM 1230 O LEU A 90 -0.221 7.132 0.687 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.822 4.733 -0.448 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.244 3.383 -1.001 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.014 2.574 -1.322 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.138 2.648 -0.016 1.00 0.00 C ATOM 0 H LEU A 90 -2.462 5.975 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.498 5.228 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.209 5.238 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.190 4.569 0.425 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.821 3.533 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.310 1.603 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.586 3.102 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.574 2.431 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.426 1.684 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.598 2.490 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.032 3.242 0.177 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.256 7.999 0.336 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.863 9.360 0.688 1.00 0.00 C ATOM 1247 C ASN A 91 -1.687 9.508 2.194 1.00 0.00 C ATOM 1248 O ASN A 91 -1.403 10.594 2.698 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.879 10.372 0.154 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.614 10.740 -1.297 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.169 9.967 -2.221 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -1.906 11.708 -1.587 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.240 7.898 0.086 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.901 9.565 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.883 9.958 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.849 11.273 0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.496 12.280 -0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.731 11.937 -2.565 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.861 8.403 2.903 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.693 8.373 4.347 1.00 0.00 C ATOM 1260 C ARG A 92 -0.288 7.895 4.698 1.00 0.00 C ATOM 1261 O ARG A 92 0.135 7.962 5.851 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.724 7.449 4.990 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.130 8.011 5.011 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.025 7.192 5.924 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.720 7.409 7.341 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.512 7.026 8.344 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.674 6.433 8.092 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.133 7.235 9.597 1.00 0.00 N ATOM 0 H ARG A 92 -2.122 7.505 2.495 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.840 9.383 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.731 6.501 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.415 7.233 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.107 9.047 5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.540 8.015 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.067 7.450 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.911 6.134 5.688 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.847 7.883 7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.964 6.269 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.276 6.142 8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.239 7.687 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.735 6.944 10.367 1.00 0.00 H new ATOM 1279 N ILE A 93 0.425 7.400 3.695 1.00 0.00 N ATOM 1280 CA ILE A 93 1.779 6.904 3.894 1.00 0.00 C ATOM 1281 C ILE A 93 2.775 7.959 3.433 1.00 0.00 C ATOM 1282 O ILE A 93 3.039 8.106 2.235 1.00 0.00 O ATOM 1283 CB ILE A 93 2.012 5.576 3.130 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.844 4.615 3.363 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.316 4.916 3.567 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.562 4.347 4.829 1.00 0.00 C ATOM 0 H ILE A 93 0.087 7.332 2.735 1.00 0.00 H new ATOM 0 HA ILE A 93 1.922 6.703 4.956 1.00 0.00 H new ATOM 0 HB ILE A 93 2.079 5.808 2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.052 5.026 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.057 3.670 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.456 3.986 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.150 5.588 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.275 4.702 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.278 3.658 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.444 3.906 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.317 5.284 5.330 1.00 0.00 H new ATOM 1297 N GLN A 94 3.312 8.702 4.387 1.00 0.00 N ATOM 1298 CA GLN A 94 4.254 9.769 4.087 1.00 0.00 C ATOM 1299 C GLN A 94 5.627 9.472 4.681 1.00 0.00 C ATOM 1300 O GLN A 94 5.744 8.910 5.770 1.00 0.00 O ATOM 1301 CB GLN A 94 3.727 11.095 4.647 1.00 0.00 C ATOM 1302 CG GLN A 94 4.547 12.321 4.253 1.00 0.00 C ATOM 1303 CD GLN A 94 4.305 12.764 2.821 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.393 13.546 2.553 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.132 12.301 1.895 1.00 0.00 N ATOM 0 H GLN A 94 3.111 8.585 5.380 1.00 0.00 H new ATOM 0 HA GLN A 94 4.357 9.840 3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.701 11.236 4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.696 11.029 5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.307 13.143 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.606 12.100 4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.877 11.654 2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.024 12.592 0.923 1.00 0.00 H new ATOM 1312 N ASN A 95 6.657 9.846 3.948 1.00 0.00 N ATOM 1313 CA ASN A 95 8.030 9.661 4.381 1.00 0.00 C ATOM 1314 C ASN A 95 8.542 10.932 5.049 1.00 0.00 C ATOM 1315 O ASN A 95 8.506 12.015 4.464 1.00 0.00 O ATOM 1316 CB ASN A 95 8.928 9.294 3.191 1.00 0.00 C ATOM 1317 CG ASN A 95 8.846 10.294 2.044 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.791 10.874 1.775 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.958 10.508 1.363 1.00 0.00 N ATOM 0 H ASN A 95 6.566 10.288 3.033 1.00 0.00 H new ATOM 0 HA ASN A 95 8.058 8.843 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.961 9.226 3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.648 8.307 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.962 11.170 0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.813 10.011 1.613 1.00 0.00 H new ATOM 1325 N VAL A 96 8.983 10.804 6.287 1.00 0.00 N ATOM 1326 CA VAL A 96 9.511 11.929 7.034 1.00 0.00 C ATOM 1327 C VAL A 96 10.993 11.710 7.327 1.00 0.00 C ATOM 1328 O VAL A 96 11.375 10.752 8.003 1.00 0.00 O ATOM 1329 CB VAL A 96 8.713 12.171 8.340 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.714 10.941 9.236 1.00 0.00 C ATOM 1331 CG2 VAL A 96 9.245 13.385 9.085 1.00 0.00 C ATOM 0 H VAL A 96 8.985 9.922 6.800 1.00 0.00 H new ATOM 0 HA VAL A 96 9.403 12.826 6.424 1.00 0.00 H new ATOM 0 HB VAL A 96 7.679 12.369 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.144 11.150 10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.259 10.104 8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.740 10.686 9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.668 13.533 9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.293 13.225 9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.156 14.268 8.452 1.00 0.00 H new ATOM 1341 N ASN A 97 11.832 12.577 6.763 1.00 0.00 N ATOM 1342 CA ASN A 97 13.282 12.488 6.935 1.00 0.00 C ATOM 1343 C ASN A 97 13.807 11.162 6.402 1.00 0.00 C ATOM 1344 O ASN A 97 14.823 10.651 6.866 1.00 0.00 O ATOM 1345 CB ASN A 97 13.687 12.657 8.406 1.00 0.00 C ATOM 1346 CG ASN A 97 13.725 14.110 8.840 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.625 14.601 9.383 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.744 14.778 8.707 1.00 0.00 N flip ATOM 0 H ASN A 97 11.529 13.356 6.178 1.00 0.00 H new ATOM 0 HA ASN A 97 13.727 13.303 6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.985 12.112 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.669 12.210 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.574 14.363 8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.762 15.748 9.021 1.00 0.00 H new ATOM 1354 N GLY A 98 13.107 10.614 5.420 1.00 0.00 N ATOM 1355 CA GLY A 98 13.512 9.357 4.835 1.00 0.00 C ATOM 1356 C GLY A 98 12.814 8.161 5.455 1.00 0.00 C ATOM 1357 O GLY A 98 12.834 7.071 4.888 1.00 0.00 O ATOM 0 H GLY A 98 12.263 11.021 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.304 9.377 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.590 9.241 4.949 1.00 0.00 H new ATOM 1361 N ARG A 99 12.188 8.356 6.608 1.00 0.00 N ATOM 1362 CA ARG A 99 11.504 7.264 7.292 1.00 0.00 C ATOM 1363 C ARG A 99 10.046 7.201 6.871 1.00 0.00 C ATOM 1364 O ARG A 99 9.353 8.212 6.856 1.00 0.00 O ATOM 1365 CB ARG A 99 11.608 7.408 8.817 1.00 0.00 C ATOM 1366 CG ARG A 99 13.025 7.275 9.360 1.00 0.00 C ATOM 1367 CD ARG A 99 13.842 8.542 9.157 1.00 0.00 C ATOM 1368 NE ARG A 99 15.244 8.355 9.524 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.824 8.907 10.590 1.00 0.00 C ATOM 1370 NH1 ARG A 99 15.123 9.673 11.419 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.110 8.686 10.826 1.00 0.00 N ATOM 0 H ARG A 99 12.139 9.255 7.088 1.00 0.00 H new ATOM 0 HA ARG A 99 11.995 6.334 7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.209 8.380 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.978 6.652 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.984 7.038 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.524 6.441 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.779 8.851 8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.415 9.348 9.754 1.00 0.00 H new ATOM 0 HE ARG A 99 15.818 7.762 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.133 9.843 11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.575 10.091 12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.651 8.096 10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.559 9.106 11.640 1.00 0.00 H new ATOM 1382 N LEU A 100 9.584 6.012 6.529 1.00 0.00 N ATOM 1383 CA LEU A 100 8.209 5.832 6.094 1.00 0.00 C ATOM 1384 C LEU A 100 7.290 5.672 7.301 1.00 0.00 C ATOM 1385 O LEU A 100 7.422 4.715 8.068 1.00 0.00 O ATOM 1386 CB LEU A 100 8.100 4.609 5.180 1.00 0.00 C ATOM 1387 CG LEU A 100 7.048 4.721 4.081 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.368 5.894 3.177 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.973 3.435 3.274 1.00 0.00 C ATOM 0 H LEU A 100 10.139 5.157 6.544 1.00 0.00 H new ATOM 0 HA LEU A 100 7.900 6.715 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.071 4.432 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.874 3.735 5.791 1.00 0.00 H new ATOM 0 HG LEU A 100 6.076 4.887 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.612 5.967 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.375 6.813 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.348 5.746 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.216 3.537 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.941 3.237 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.707 2.608 3.932 1.00 0.00 H new ATOM 1400 N VAL A 101 6.370 6.612 7.473 1.00 0.00 N ATOM 1401 CA VAL A 101 5.444 6.578 8.597 1.00 0.00 C ATOM 1402 C VAL A 101 4.001 6.650 8.115 1.00 0.00 C ATOM 1403 O VAL A 101 3.685 7.384 7.177 1.00 0.00 O ATOM 1404 CB VAL A 101 5.692 7.752 9.572 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.840 7.615 10.824 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.165 7.852 9.941 1.00 0.00 C ATOM 0 H VAL A 101 6.245 7.408 6.848 1.00 0.00 H new ATOM 0 HA VAL A 101 5.616 5.635 9.117 1.00 0.00 H new ATOM 0 HB VAL A 101 5.402 8.671 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.036 8.455 11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.786 7.609 10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.087 6.683 11.332 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.312 8.686 10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.484 6.926 10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.756 8.016 9.040 1.00 0.00 H new ATOM 1416 N PHE A 102 3.133 5.883 8.751 1.00 0.00 N ATOM 1417 CA PHE A 102 1.727 5.889 8.408 1.00 0.00 C ATOM 1418 C PHE A 102 0.997 6.906 9.265 1.00 0.00 C ATOM 1419 O PHE A 102 1.060 6.864 10.497 1.00 0.00 O ATOM 1420 CB PHE A 102 1.107 4.501 8.586 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.383 4.527 8.779 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.221 5.140 7.855 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -0.945 3.957 9.907 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.580 5.175 8.058 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.306 3.994 10.113 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.122 4.605 9.187 1.00 0.00 C ATOM 0 H PHE A 102 3.381 5.247 9.509 1.00 0.00 H new ATOM 0 HA PHE A 102 1.630 6.164 7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.341 3.893 7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.568 4.014 9.446 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.800 5.593 6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.308 3.477 10.635 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.222 5.650 7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.732 3.545 10.998 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.190 4.637 9.347 1.00 0.00 H new ATOM 1435 N GLN A 103 0.316 7.818 8.609 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.433 8.850 9.292 1.00 0.00 C ATOM 1437 C GLN A 103 -1.892 8.839 8.861 1.00 0.00 C ATOM 1438 O GLN A 103 -2.696 8.167 9.535 1.00 0.00 O ATOM 1439 CB GLN A 103 0.195 10.215 9.030 1.00 0.00 C ATOM 1440 CG GLN A 103 1.272 10.598 10.031 1.00 0.00 C ATOM 1441 CD GLN A 103 1.846 11.975 9.763 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.167 12.851 9.224 1.00 0.00 O ATOM 1443 NE2 GLN A 103 3.092 12.179 10.150 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.231 9.503 7.861 1.00 0.00 O ATOM 0 H GLN A 103 0.265 7.866 7.591 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.399 8.649 10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.625 10.220 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.588 10.973 9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.855 10.571 11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.074 9.860 9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.618 11.426 10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.528 13.090 10.006 1.00 0.00 H new TER 1451 GLN A 103