USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 497 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 29 TYR OH : rot 59:sc= -1.58 USER MOD Set 1.2: A 38 ASN : amide:sc= -8.31! C(o=-9.9!,f=-12!) USER MOD Set 2.1: A 17 THR OG1 : rot 171:sc= -0.345 USER MOD Set 2.2: A 51 GLN : amide:sc= -0.42 K(o=-0.77,f=-6.1!) USER MOD Single : A 1 GLU N :NH3+ -109:sc= -0.333 (180deg=-2.01!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -142:sc= -1.17 (180deg=-2.71!) USER MOD Single : A 11 HIS : no HD1:sc= -0.88 X(o=-0.88,f=-0.88) USER MOD Single : A 12 THR OG1 : rot 162:sc= -11.9! USER MOD Single : A 14 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.22) USER MOD Single : A 15 SER OG : rot 170:sc= -0.574 USER MOD Single : A 18 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.2) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 0.487 (180deg=0.211) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0436) USER MOD Single : A 25 THR OG1 : rot 149:sc= -2.47! USER MOD Single : A 31 ASN : amide:sc= -1.63 K(o=-1.6,f=-8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.822! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 36:sc= 0.241 USER MOD Single : A 66 ASN : amide:sc= -1.65 K(o=-1.6,f=-4.1!) USER MOD Single : A 70 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.686 -8.118 -2.424 1.00 0.00 N ATOM 2 CA GLU A 1 12.071 -7.536 -1.198 1.00 0.00 C ATOM 3 C GLU A 1 11.453 -8.653 -0.358 1.00 0.00 C ATOM 4 O GLU A 1 11.064 -9.684 -0.867 1.00 0.00 O ATOM 5 CB GLU A 1 10.982 -6.542 -1.597 1.00 0.00 C ATOM 6 CG GLU A 1 10.244 -6.064 -0.345 1.00 0.00 C ATOM 7 CD GLU A 1 11.177 -5.190 0.494 1.00 0.00 C ATOM 8 OE1 GLU A 1 12.261 -4.892 0.020 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.792 -4.834 1.595 1.00 0.00 O ATOM 0 H1 GLU A 1 13.722 -8.066 -2.351 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.395 -9.112 -2.520 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.371 -7.583 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 1 12.838 -7.024 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 1 11.423 -5.693 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 1 10.282 -7.011 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 1 9.355 -5.499 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.906 -6.919 0.240 1.00 0.00 H new ATOM 18 N THR A 2 11.356 -8.453 0.925 1.00 0.00 N ATOM 19 CA THR A 2 10.758 -9.499 1.798 1.00 0.00 C ATOM 20 C THR A 2 9.241 -9.351 1.797 1.00 0.00 C ATOM 21 O THR A 2 8.684 -8.659 2.612 1.00 0.00 O ATOM 22 CB THR A 2 11.279 -9.331 3.226 1.00 0.00 C ATOM 23 OG1 THR A 2 12.633 -8.900 3.187 1.00 0.00 O ATOM 24 CG2 THR A 2 11.184 -10.665 3.967 1.00 0.00 C ATOM 0 H THR A 2 11.665 -7.609 1.408 1.00 0.00 H new ATOM 0 HA THR A 2 11.032 -10.485 1.423 1.00 0.00 H new ATOM 0 HB THR A 2 10.677 -8.587 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.968 -8.790 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.556 -10.543 4.984 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.144 -10.991 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.784 -11.413 3.448 1.00 0.00 H new ATOM 32 N VAL A 3 8.564 -9.991 0.888 1.00 0.00 N ATOM 33 CA VAL A 3 7.083 -9.867 0.856 1.00 0.00 C ATOM 34 C VAL A 3 6.519 -10.096 2.264 1.00 0.00 C ATOM 35 O VAL A 3 5.458 -9.614 2.602 1.00 0.00 O ATOM 36 CB VAL A 3 6.501 -10.895 -0.120 1.00 0.00 C ATOM 37 CG1 VAL A 3 6.497 -12.284 0.526 1.00 0.00 C ATOM 38 CG2 VAL A 3 5.070 -10.497 -0.481 1.00 0.00 C ATOM 0 H VAL A 3 8.969 -10.591 0.170 1.00 0.00 H new ATOM 0 HA VAL A 3 6.808 -8.867 0.521 1.00 0.00 H new ATOM 0 HB VAL A 3 7.114 -10.922 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.082 -13.009 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.517 -12.569 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.889 -12.263 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.654 -11.227 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.461 -10.468 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.073 -9.512 -0.948 1.00 0.00 H new ATOM 48 N GLU A 4 7.223 -10.824 3.090 1.00 0.00 N ATOM 49 CA GLU A 4 6.721 -11.071 4.471 1.00 0.00 C ATOM 50 C GLU A 4 6.691 -9.754 5.249 1.00 0.00 C ATOM 51 O GLU A 4 5.735 -9.451 5.934 1.00 0.00 O ATOM 52 CB GLU A 4 7.641 -12.066 5.183 1.00 0.00 C ATOM 53 CG GLU A 4 6.891 -12.704 6.354 1.00 0.00 C ATOM 54 CD GLU A 4 7.512 -14.064 6.679 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.662 -14.268 6.326 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.827 -14.879 7.275 1.00 0.00 O ATOM 0 H GLU A 4 8.120 -11.256 2.868 1.00 0.00 H new ATOM 0 HA GLU A 4 5.714 -11.484 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.971 -12.836 4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.535 -11.558 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.938 -12.053 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.837 -12.824 6.102 1.00 0.00 H new ATOM 63 N SER A 5 7.727 -8.965 5.146 1.00 0.00 N ATOM 64 CA SER A 5 7.750 -7.664 5.874 1.00 0.00 C ATOM 65 C SER A 5 6.874 -6.658 5.130 1.00 0.00 C ATOM 66 O SER A 5 6.057 -5.979 5.716 1.00 0.00 O ATOM 67 CB SER A 5 9.188 -7.146 5.945 1.00 0.00 C ATOM 68 OG SER A 5 10.058 -8.223 6.269 1.00 0.00 O ATOM 0 H SER A 5 8.558 -9.165 4.589 1.00 0.00 H new ATOM 0 HA SER A 5 7.368 -7.800 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.476 -6.705 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.267 -6.360 6.696 1.00 0.00 H new ATOM 0 HG SER A 5 10.981 -7.896 6.314 1.00 0.00 H new ATOM 74 N CYS A 6 7.028 -6.566 3.839 1.00 0.00 N ATOM 75 CA CYS A 6 6.188 -5.618 3.060 1.00 0.00 C ATOM 76 C CYS A 6 4.727 -5.839 3.443 1.00 0.00 C ATOM 77 O CYS A 6 3.910 -4.943 3.375 1.00 0.00 O ATOM 78 CB CYS A 6 6.377 -5.881 1.566 1.00 0.00 C ATOM 79 SG CYS A 6 7.411 -4.579 0.856 1.00 0.00 S ATOM 0 H CYS A 6 7.698 -7.106 3.291 1.00 0.00 H new ATOM 0 HA CYS A 6 6.477 -4.590 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.842 -6.855 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.410 -5.907 1.064 1.00 0.00 H new ATOM 84 N LEU A 7 4.399 -7.032 3.859 1.00 0.00 N ATOM 85 CA LEU A 7 3.000 -7.326 4.263 1.00 0.00 C ATOM 86 C LEU A 7 2.877 -7.159 5.777 1.00 0.00 C ATOM 87 O LEU A 7 1.833 -6.821 6.297 1.00 0.00 O ATOM 88 CB LEU A 7 2.649 -8.756 3.864 1.00 0.00 C ATOM 89 CG LEU A 7 2.828 -8.915 2.353 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.782 -10.398 1.981 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.704 -8.170 1.634 1.00 0.00 C ATOM 0 H LEU A 7 5.045 -7.818 3.936 1.00 0.00 H new ATOM 0 HA LEU A 7 2.314 -6.641 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.289 -9.462 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.621 -8.983 4.146 1.00 0.00 H new ATOM 0 HG LEU A 7 3.791 -8.502 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.910 -10.507 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.583 -10.928 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.820 -10.818 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.826 -8.280 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.742 -8.585 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.741 -7.113 1.898 1.00 0.00 H new ATOM 103 N ALA A 8 3.956 -7.359 6.483 1.00 0.00 N ATOM 104 CA ALA A 8 3.926 -7.177 7.963 1.00 0.00 C ATOM 105 C ALA A 8 3.678 -5.694 8.250 1.00 0.00 C ATOM 106 O ALA A 8 3.374 -5.297 9.358 1.00 0.00 O ATOM 107 CB ALA A 8 5.267 -7.604 8.564 1.00 0.00 C ATOM 0 H ALA A 8 4.858 -7.641 6.099 1.00 0.00 H new ATOM 0 HA ALA A 8 3.138 -7.786 8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.240 -7.469 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.451 -8.653 8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.066 -6.994 8.142 1.00 0.00 H new ATOM 113 N LYS A 9 3.805 -4.887 7.231 1.00 0.00 N ATOM 114 CA LYS A 9 3.574 -3.423 7.345 1.00 0.00 C ATOM 115 C LYS A 9 2.259 -3.172 8.115 1.00 0.00 C ATOM 116 O LYS A 9 1.606 -4.115 8.513 1.00 0.00 O ATOM 117 CB LYS A 9 3.497 -2.911 5.901 1.00 0.00 C ATOM 118 CG LYS A 9 4.905 -2.918 5.299 1.00 0.00 C ATOM 119 CD LYS A 9 4.877 -2.274 3.914 1.00 0.00 C ATOM 120 CE LYS A 9 6.103 -1.373 3.743 1.00 0.00 C ATOM 121 NZ LYS A 9 6.254 -0.503 4.944 1.00 0.00 N ATOM 0 H LYS A 9 4.068 -5.196 6.295 1.00 0.00 H new ATOM 0 HA LYS A 9 4.362 -2.907 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.832 -3.542 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.082 -1.903 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.591 -2.375 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.275 -3.941 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.869 -3.045 3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.964 -1.691 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.998 -1.981 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.995 -0.760 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.572 0.442 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.339 -0.424 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.956 -0.920 5.588 1.00 0.00 H new ATOM 135 N PRO A 10 1.893 -1.918 8.314 1.00 0.00 N ATOM 136 CA PRO A 10 0.657 -1.580 9.046 1.00 0.00 C ATOM 137 C PRO A 10 -0.568 -1.908 8.188 1.00 0.00 C ATOM 138 O PRO A 10 -1.697 -1.785 8.619 1.00 0.00 O ATOM 139 CB PRO A 10 0.797 -0.083 9.339 1.00 0.00 C ATOM 140 CG PRO A 10 1.820 0.467 8.322 1.00 0.00 C ATOM 141 CD PRO A 10 2.639 -0.740 7.822 1.00 0.00 C ATOM 0 HA PRO A 10 0.520 -2.148 9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.163 0.424 9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.138 0.082 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.314 0.962 7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.469 1.209 8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.717 -0.745 6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.656 -0.721 8.215 1.00 0.00 H new ATOM 149 N HIS A 11 -0.334 -2.373 6.993 1.00 0.00 N ATOM 150 CA HIS A 11 -1.440 -2.784 6.094 1.00 0.00 C ATOM 151 C HIS A 11 -2.280 -1.614 5.594 1.00 0.00 C ATOM 152 O HIS A 11 -3.369 -1.397 6.074 1.00 0.00 O ATOM 153 CB HIS A 11 -2.368 -3.758 6.816 1.00 0.00 C ATOM 154 CG HIS A 11 -1.987 -5.168 6.459 1.00 0.00 C ATOM 155 ND1 HIS A 11 -2.872 -6.040 5.845 1.00 0.00 N ATOM 156 CD2 HIS A 11 -0.817 -5.869 6.619 1.00 0.00 C ATOM 157 CE1 HIS A 11 -2.226 -7.206 5.659 1.00 0.00 C ATOM 158 NE2 HIS A 11 -0.972 -7.157 6.113 1.00 0.00 N ATOM 0 H HIS A 11 0.599 -2.487 6.596 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.965 -3.251 5.231 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.298 -3.613 7.894 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.404 -3.567 6.535 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.085 -5.481 7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.669 -8.076 5.198 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.276 -7.903 6.094 1.00 0.00 H new ATOM 166 N THR A 12 -1.822 -0.925 4.579 1.00 0.00 N ATOM 167 CA THR A 12 -2.643 0.166 3.963 1.00 0.00 C ATOM 168 C THR A 12 -2.490 1.524 4.653 1.00 0.00 C ATOM 169 O THR A 12 -2.133 2.492 4.014 1.00 0.00 O ATOM 170 CB THR A 12 -4.118 -0.295 3.940 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.686 -0.071 2.667 1.00 0.00 O ATOM 172 CG2 THR A 12 -4.967 0.427 4.996 1.00 0.00 C ATOM 0 H THR A 12 -0.910 -1.071 4.147 1.00 0.00 H new ATOM 0 HA THR A 12 -2.277 0.333 2.950 1.00 0.00 H new ATOM 0 HB THR A 12 -4.117 -1.361 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.497 -0.613 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.996 0.070 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.564 0.223 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.945 1.501 4.809 1.00 0.00 H new ATOM 180 N GLU A 13 -2.793 1.637 5.911 1.00 0.00 N ATOM 181 CA GLU A 13 -2.694 2.977 6.552 1.00 0.00 C ATOM 182 C GLU A 13 -1.386 3.655 6.139 1.00 0.00 C ATOM 183 O GLU A 13 -0.334 3.408 6.694 1.00 0.00 O ATOM 184 CB GLU A 13 -2.757 2.843 8.074 1.00 0.00 C ATOM 185 CG GLU A 13 -2.988 4.223 8.694 1.00 0.00 C ATOM 186 CD GLU A 13 -2.207 4.331 10.005 1.00 0.00 C ATOM 187 OE1 GLU A 13 -2.549 3.619 10.935 1.00 0.00 O ATOM 188 OE2 GLU A 13 -1.281 5.123 10.057 1.00 0.00 O ATOM 0 H GLU A 13 -3.100 0.876 6.517 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.533 3.589 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.562 2.165 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.829 2.413 8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.668 5.002 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.051 4.377 8.878 1.00 0.00 H new ATOM 195 N ASN A 14 -1.463 4.500 5.152 1.00 0.00 N ATOM 196 CA ASN A 14 -0.258 5.211 4.649 1.00 0.00 C ATOM 197 C ASN A 14 -0.632 5.886 3.335 1.00 0.00 C ATOM 198 O ASN A 14 -1.770 6.260 3.126 1.00 0.00 O ATOM 199 CB ASN A 14 0.868 4.204 4.396 1.00 0.00 C ATOM 200 CG ASN A 14 2.157 4.702 5.055 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.220 4.617 4.474 1.00 0.00 O ATOM 202 ND2 ASN A 14 2.105 5.220 6.251 1.00 0.00 N ATOM 0 H ASN A 14 -2.328 4.732 4.663 1.00 0.00 H new ATOM 0 HA ASN A 14 0.082 5.945 5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.595 3.228 4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.021 4.075 3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.958 5.554 6.699 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.211 5.291 6.738 1.00 0.00 H new ATOM 209 N SER A 15 0.297 6.036 2.437 1.00 0.00 N ATOM 210 CA SER A 15 -0.047 6.672 1.145 1.00 0.00 C ATOM 211 C SER A 15 1.191 6.768 0.269 1.00 0.00 C ATOM 212 O SER A 15 2.243 6.249 0.590 1.00 0.00 O ATOM 213 CB SER A 15 -0.596 8.073 1.400 1.00 0.00 C ATOM 214 OG SER A 15 0.273 8.764 2.288 1.00 0.00 O ATOM 0 H SER A 15 1.270 5.748 2.542 1.00 0.00 H new ATOM 0 HA SER A 15 -0.799 6.068 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.683 8.618 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.597 8.012 1.827 1.00 0.00 H new ATOM 0 HG SER A 15 0.016 9.709 2.328 1.00 0.00 H new ATOM 220 N PHE A 16 1.069 7.429 -0.840 1.00 0.00 N ATOM 221 CA PHE A 16 2.227 7.567 -1.752 1.00 0.00 C ATOM 222 C PHE A 16 1.839 8.520 -2.885 1.00 0.00 C ATOM 223 O PHE A 16 0.673 8.750 -3.133 1.00 0.00 O ATOM 224 CB PHE A 16 2.582 6.192 -2.320 1.00 0.00 C ATOM 225 CG PHE A 16 3.911 6.268 -3.024 1.00 0.00 C ATOM 226 CD1 PHE A 16 3.962 6.664 -4.360 1.00 0.00 C ATOM 227 CD2 PHE A 16 5.090 5.944 -2.342 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.191 6.740 -5.022 1.00 0.00 C ATOM 229 CE2 PHE A 16 6.322 6.020 -3.002 1.00 0.00 C ATOM 230 CZ PHE A 16 6.373 6.418 -4.343 1.00 0.00 C ATOM 0 H PHE A 16 0.212 7.882 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 16 3.091 7.964 -1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.625 5.455 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.809 5.863 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.051 6.912 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.049 5.636 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.229 7.047 -6.057 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.233 5.772 -2.477 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.323 6.477 -4.854 1.00 0.00 H new ATOM 240 N THR A 17 2.792 9.087 -3.570 1.00 0.00 N ATOM 241 CA THR A 17 2.440 10.028 -4.675 1.00 0.00 C ATOM 242 C THR A 17 2.917 9.460 -6.011 1.00 0.00 C ATOM 243 O THR A 17 3.692 8.531 -6.059 1.00 0.00 O ATOM 244 CB THR A 17 3.074 11.399 -4.420 1.00 0.00 C ATOM 245 OG1 THR A 17 3.473 11.971 -5.657 1.00 0.00 O ATOM 246 CG2 THR A 17 4.295 11.249 -3.509 1.00 0.00 C ATOM 0 H THR A 17 3.790 8.943 -3.417 1.00 0.00 H new ATOM 0 HA THR A 17 1.357 10.148 -4.711 1.00 0.00 H new ATOM 0 HB THR A 17 2.344 12.047 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.737 12.904 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.740 12.228 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.988 10.813 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.028 10.598 -3.987 1.00 0.00 H new ATOM 254 N ASN A 18 2.436 9.985 -7.103 1.00 0.00 N ATOM 255 CA ASN A 18 2.847 9.431 -8.420 1.00 0.00 C ATOM 256 C ASN A 18 2.236 8.032 -8.549 1.00 0.00 C ATOM 257 O ASN A 18 2.630 7.235 -9.377 1.00 0.00 O ATOM 258 CB ASN A 18 4.372 9.341 -8.491 1.00 0.00 C ATOM 259 CG ASN A 18 4.842 9.773 -9.880 1.00 0.00 C ATOM 260 OD1 ASN A 18 4.581 10.882 -10.305 1.00 0.00 O ATOM 261 ND2 ASN A 18 5.529 8.940 -10.613 1.00 0.00 N ATOM 0 H ASN A 18 1.782 10.767 -7.140 1.00 0.00 H new ATOM 0 HA ASN A 18 2.502 10.074 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.821 9.978 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.697 8.321 -8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.846 9.220 -11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.749 8.009 -10.258 1.00 0.00 H new ATOM 268 N VAL A 19 1.274 7.739 -7.713 1.00 0.00 N ATOM 269 CA VAL A 19 0.612 6.408 -7.737 1.00 0.00 C ATOM 270 C VAL A 19 0.245 6.015 -9.167 1.00 0.00 C ATOM 271 O VAL A 19 0.073 6.852 -10.031 1.00 0.00 O ATOM 272 CB VAL A 19 -0.665 6.483 -6.900 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.323 5.103 -6.840 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.316 6.942 -5.481 1.00 0.00 C ATOM 0 H VAL A 19 0.916 8.379 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 19 1.296 5.662 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.355 7.193 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.233 5.159 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.571 4.774 -7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.634 4.391 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.225 6.996 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.375 6.231 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.151 7.926 -5.521 1.00 0.00 H new ATOM 284 N TRP A 20 0.107 4.742 -9.412 1.00 0.00 N ATOM 285 CA TRP A 20 -0.270 4.278 -10.772 1.00 0.00 C ATOM 286 C TRP A 20 -1.460 3.320 -10.646 1.00 0.00 C ATOM 287 O TRP A 20 -1.998 3.118 -9.574 1.00 0.00 O ATOM 288 CB TRP A 20 0.940 3.578 -11.437 1.00 0.00 C ATOM 289 CG TRP A 20 0.846 2.083 -11.301 1.00 0.00 C ATOM 290 CD1 TRP A 20 0.262 1.255 -12.200 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.344 1.232 -10.227 1.00 0.00 C ATOM 292 NE1 TRP A 20 0.346 -0.043 -11.735 1.00 0.00 N ATOM 293 CE2 TRP A 20 1.014 -0.112 -10.528 1.00 0.00 C ATOM 294 CE3 TRP A 20 2.038 1.492 -9.033 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.360 -1.158 -9.673 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.391 0.441 -8.172 1.00 0.00 C ATOM 297 CH2 TRP A 20 2.051 -0.882 -8.491 1.00 0.00 C ATOM 0 H TRP A 20 0.240 4.001 -8.724 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.556 5.122 -11.399 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.985 3.848 -12.492 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.864 3.930 -10.979 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.195 1.560 -13.130 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.038 -0.852 -12.223 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.302 2.507 -8.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.095 -2.175 -9.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.927 0.652 -7.259 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.323 -1.686 -7.823 1.00 0.00 H new ATOM 308 N LYS A 21 -1.857 2.714 -11.723 1.00 0.00 N ATOM 309 CA LYS A 21 -2.988 1.753 -11.663 1.00 0.00 C ATOM 310 C LYS A 21 -2.756 0.665 -12.703 1.00 0.00 C ATOM 311 O LYS A 21 -2.758 0.918 -13.892 1.00 0.00 O ATOM 312 CB LYS A 21 -4.306 2.466 -11.955 1.00 0.00 C ATOM 313 CG LYS A 21 -5.457 1.497 -11.681 1.00 0.00 C ATOM 314 CD LYS A 21 -6.557 1.697 -12.724 1.00 0.00 C ATOM 315 CE LYS A 21 -6.394 0.667 -13.843 1.00 0.00 C ATOM 316 NZ LYS A 21 -5.586 1.258 -14.947 1.00 0.00 N ATOM 0 H LYS A 21 -1.446 2.842 -12.648 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.043 1.317 -10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.402 3.354 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.333 2.802 -12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.095 0.469 -11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.856 1.664 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.537 1.592 -12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.505 2.706 -13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.905 -0.229 -13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.372 0.362 -14.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.737 0.712 -15.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.878 2.244 -15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.578 1.231 -14.692 1.00 0.00 H new ATOM 330 N ASP A 22 -2.540 -0.542 -12.271 1.00 0.00 N ATOM 331 CA ASP A 22 -2.291 -1.632 -13.238 1.00 0.00 C ATOM 332 C ASP A 22 -3.610 -2.278 -13.649 1.00 0.00 C ATOM 333 O ASP A 22 -4.413 -2.671 -12.816 1.00 0.00 O ATOM 334 CB ASP A 22 -1.396 -2.688 -12.589 1.00 0.00 C ATOM 335 CG ASP A 22 -0.234 -3.019 -13.527 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.480 -3.648 -14.544 1.00 0.00 O ATOM 337 OD2 ASP A 22 0.882 -2.639 -13.214 1.00 0.00 O ATOM 0 H ASP A 22 -2.526 -0.818 -11.289 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.802 -1.221 -14.121 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.015 -2.321 -11.636 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.973 -3.588 -12.376 1.00 0.00 H new ATOM 342 N ASP A 23 -3.819 -2.416 -14.930 1.00 0.00 N ATOM 343 CA ASP A 23 -5.055 -3.074 -15.420 1.00 0.00 C ATOM 344 C ASP A 23 -4.862 -4.578 -15.241 1.00 0.00 C ATOM 345 O ASP A 23 -5.802 -5.344 -15.182 1.00 0.00 O ATOM 346 CB ASP A 23 -5.262 -2.748 -16.901 1.00 0.00 C ATOM 347 CG ASP A 23 -6.756 -2.775 -17.227 1.00 0.00 C ATOM 348 OD1 ASP A 23 -7.540 -2.476 -16.342 1.00 0.00 O ATOM 349 OD2 ASP A 23 -7.090 -3.094 -18.356 1.00 0.00 O ATOM 0 H ASP A 23 -3.181 -2.098 -15.659 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.929 -2.726 -14.869 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.847 -1.766 -17.129 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.731 -3.470 -17.521 1.00 0.00 H new ATOM 354 N LYS A 24 -3.625 -4.993 -15.127 1.00 0.00 N ATOM 355 CA LYS A 24 -3.319 -6.430 -14.922 1.00 0.00 C ATOM 356 C LYS A 24 -3.579 -6.754 -13.457 1.00 0.00 C ATOM 357 O LYS A 24 -4.378 -7.607 -13.122 1.00 0.00 O ATOM 358 CB LYS A 24 -1.843 -6.672 -15.233 1.00 0.00 C ATOM 359 CG LYS A 24 -1.714 -7.565 -16.469 1.00 0.00 C ATOM 360 CD LYS A 24 -1.974 -6.734 -17.726 1.00 0.00 C ATOM 361 CE LYS A 24 -3.367 -7.057 -18.271 1.00 0.00 C ATOM 362 NZ LYS A 24 -3.832 -5.935 -19.134 1.00 0.00 N ATOM 0 H LYS A 24 -2.808 -4.384 -15.169 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.934 -7.054 -15.570 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.338 -5.722 -15.405 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.355 -7.143 -14.380 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.718 -8.005 -16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.425 -8.389 -16.411 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.900 -5.671 -17.494 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.217 -6.950 -18.481 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.340 -7.984 -18.844 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.065 -7.211 -17.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.836 -6.070 -19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.712 -5.035 -18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.272 -5.916 -20.010 1.00 0.00 H new ATOM 376 N THR A 25 -2.923 -6.045 -12.581 1.00 0.00 N ATOM 377 CA THR A 25 -3.141 -6.271 -11.131 1.00 0.00 C ATOM 378 C THR A 25 -4.609 -5.989 -10.841 1.00 0.00 C ATOM 379 O THR A 25 -5.212 -6.568 -9.960 1.00 0.00 O ATOM 380 CB THR A 25 -2.259 -5.313 -10.325 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.734 -3.984 -10.492 1.00 0.00 O ATOM 382 CG2 THR A 25 -0.814 -5.409 -10.820 1.00 0.00 C ATOM 0 H THR A 25 -2.245 -5.318 -12.810 1.00 0.00 H new ATOM 0 HA THR A 25 -2.885 -7.294 -10.854 1.00 0.00 H new ATOM 0 HB THR A 25 -2.296 -5.582 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.559 -3.469 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.187 -4.727 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.453 -6.429 -10.692 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.772 -5.139 -11.875 1.00 0.00 H new ATOM 390 N LEU A 26 -5.188 -5.105 -11.605 1.00 0.00 N ATOM 391 CA LEU A 26 -6.625 -4.776 -11.415 1.00 0.00 C ATOM 392 C LEU A 26 -6.819 -3.989 -10.120 1.00 0.00 C ATOM 393 O LEU A 26 -7.543 -4.410 -9.242 1.00 0.00 O ATOM 394 CB LEU A 26 -7.428 -6.075 -11.341 1.00 0.00 C ATOM 395 CG LEU A 26 -8.435 -6.114 -12.492 1.00 0.00 C ATOM 396 CD1 LEU A 26 -9.378 -7.305 -12.312 1.00 0.00 C ATOM 397 CD2 LEU A 26 -9.249 -4.819 -12.499 1.00 0.00 C ATOM 0 H LEU A 26 -4.724 -4.595 -12.356 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.968 -4.170 -12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.759 -6.933 -11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.948 -6.140 -10.385 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.900 -6.216 -13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.094 -7.330 -13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.800 -8.229 -12.306 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.913 -7.206 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.967 -4.845 -13.319 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.781 -4.719 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.579 -3.969 -12.630 1.00 0.00 H new ATOM 409 N ASP A 27 -6.188 -2.854 -9.982 1.00 0.00 N ATOM 410 CA ASP A 27 -6.377 -2.082 -8.717 1.00 0.00 C ATOM 411 C ASP A 27 -5.400 -0.909 -8.641 1.00 0.00 C ATOM 412 O ASP A 27 -4.549 -0.736 -9.492 1.00 0.00 O ATOM 413 CB ASP A 27 -6.121 -3.011 -7.532 1.00 0.00 C ATOM 414 CG ASP A 27 -7.309 -2.959 -6.570 1.00 0.00 C ATOM 415 OD1 ASP A 27 -8.143 -2.085 -6.737 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.362 -3.793 -5.681 1.00 0.00 O ATOM 0 H ASP A 27 -5.564 -2.434 -10.671 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.395 -1.692 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.970 -4.032 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.209 -2.714 -7.015 1.00 0.00 H new ATOM 421 N ARG A 28 -5.504 -0.109 -7.608 1.00 0.00 N ATOM 422 CA ARG A 28 -4.569 1.038 -7.458 1.00 0.00 C ATOM 423 C ARG A 28 -3.329 0.541 -6.722 1.00 0.00 C ATOM 424 O ARG A 28 -3.406 -0.357 -5.908 1.00 0.00 O ATOM 425 CB ARG A 28 -5.238 2.149 -6.647 1.00 0.00 C ATOM 426 CG ARG A 28 -4.866 3.507 -7.245 1.00 0.00 C ATOM 427 CD ARG A 28 -6.106 4.144 -7.874 1.00 0.00 C ATOM 428 NE ARG A 28 -6.112 5.607 -7.589 1.00 0.00 N ATOM 429 CZ ARG A 28 -7.011 6.376 -8.142 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.877 6.743 -9.385 1.00 0.00 N ATOM 431 NH2 ARG A 28 -8.044 6.776 -7.450 1.00 0.00 N ATOM 0 H ARG A 28 -6.197 -0.204 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.298 1.436 -8.436 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.320 2.020 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.919 2.098 -5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.462 4.159 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.086 3.384 -7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.110 3.972 -8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.008 3.681 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.414 6.007 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.071 6.430 -9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.579 7.344 -9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.149 6.488 -6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.746 7.377 -7.882 1.00 0.00 H new ATOM 445 N TYR A 29 -2.185 1.093 -7.000 1.00 0.00 N ATOM 446 CA TYR A 29 -0.966 0.608 -6.305 1.00 0.00 C ATOM 447 C TYR A 29 0.073 1.723 -6.200 1.00 0.00 C ATOM 448 O TYR A 29 0.203 2.557 -7.074 1.00 0.00 O ATOM 449 CB TYR A 29 -0.379 -0.563 -7.092 1.00 0.00 C ATOM 450 CG TYR A 29 -1.367 -1.707 -7.107 1.00 0.00 C ATOM 451 CD1 TYR A 29 -1.370 -2.644 -6.066 1.00 0.00 C ATOM 452 CD2 TYR A 29 -2.276 -1.833 -8.164 1.00 0.00 C ATOM 453 CE1 TYR A 29 -2.283 -3.705 -6.082 1.00 0.00 C ATOM 454 CE2 TYR A 29 -3.189 -2.895 -8.180 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.192 -3.831 -7.139 1.00 0.00 C ATOM 456 OH TYR A 29 -4.090 -4.878 -7.154 1.00 0.00 O ATOM 0 H TYR A 29 -2.042 1.849 -7.669 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.234 0.288 -5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.151 -0.252 -8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.559 -0.885 -6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.668 -2.548 -5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.273 -1.111 -8.967 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.286 -4.427 -5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.891 -2.992 -8.995 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.647 -4.843 -6.348 1.00 0.00 H new ATOM 466 N ALA A 30 0.821 1.731 -5.129 1.00 0.00 N ATOM 467 CA ALA A 30 1.867 2.775 -4.948 1.00 0.00 C ATOM 468 C ALA A 30 3.236 2.095 -4.853 1.00 0.00 C ATOM 469 O ALA A 30 3.483 1.301 -3.968 1.00 0.00 O ATOM 470 CB ALA A 30 1.590 3.553 -3.659 1.00 0.00 C ATOM 0 H ALA A 30 0.751 1.055 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 30 1.856 3.463 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.355 4.318 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.610 4.026 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.608 2.869 -2.810 1.00 0.00 H new ATOM 476 N ASN A 31 4.125 2.389 -5.764 1.00 0.00 N ATOM 477 CA ASN A 31 5.471 1.746 -5.729 1.00 0.00 C ATOM 478 C ASN A 31 6.332 2.389 -4.638 1.00 0.00 C ATOM 479 O ASN A 31 6.962 3.405 -4.849 1.00 0.00 O ATOM 480 CB ASN A 31 6.154 1.924 -7.087 1.00 0.00 C ATOM 481 CG ASN A 31 7.480 1.162 -7.096 1.00 0.00 C ATOM 482 OD1 ASN A 31 8.238 1.225 -6.148 1.00 0.00 O ATOM 483 ND2 ASN A 31 7.795 0.439 -8.136 1.00 0.00 N ATOM 0 H ASN A 31 3.978 3.046 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 31 5.354 0.684 -5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.506 1.556 -7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.329 2.982 -7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.677 -0.073 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.159 0.386 -8.932 1.00 0.00 H new ATOM 490 N TYR A 32 6.368 1.800 -3.472 1.00 0.00 N ATOM 491 CA TYR A 32 7.191 2.373 -2.372 1.00 0.00 C ATOM 492 C TYR A 32 8.617 1.816 -2.452 1.00 0.00 C ATOM 493 O TYR A 32 9.144 1.306 -1.485 1.00 0.00 O ATOM 494 CB TYR A 32 6.574 2.001 -1.022 1.00 0.00 C ATOM 495 CG TYR A 32 6.907 3.070 -0.010 1.00 0.00 C ATOM 496 CD1 TYR A 32 8.205 3.590 0.057 1.00 0.00 C ATOM 497 CD2 TYR A 32 5.918 3.544 0.861 1.00 0.00 C ATOM 498 CE1 TYR A 32 8.514 4.583 0.992 1.00 0.00 C ATOM 499 CE2 TYR A 32 6.228 4.537 1.798 1.00 0.00 C ATOM 500 CZ TYR A 32 7.527 5.056 1.863 1.00 0.00 C ATOM 501 OH TYR A 32 7.832 6.036 2.787 1.00 0.00 O ATOM 0 H TYR A 32 5.862 0.946 -3.236 1.00 0.00 H new ATOM 0 HA TYR A 32 7.219 3.458 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.493 1.900 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.956 1.036 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.968 3.224 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.916 3.144 0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.515 4.985 1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.466 4.902 2.470 1.00 0.00 H new ATOM 0 HH TYR A 32 7.033 6.251 3.312 1.00 0.00 H new ATOM 511 N GLU A 33 9.236 1.920 -3.601 1.00 0.00 N ATOM 512 CA GLU A 33 10.633 1.411 -3.772 1.00 0.00 C ATOM 513 C GLU A 33 10.849 0.140 -2.946 1.00 0.00 C ATOM 514 O GLU A 33 11.160 0.197 -1.773 1.00 0.00 O ATOM 515 CB GLU A 33 11.624 2.484 -3.314 1.00 0.00 C ATOM 516 CG GLU A 33 11.367 3.783 -4.082 1.00 0.00 C ATOM 517 CD GLU A 33 12.702 4.391 -4.515 1.00 0.00 C ATOM 518 OE1 GLU A 33 13.614 4.406 -3.705 1.00 0.00 O ATOM 519 OE2 GLU A 33 12.790 4.832 -5.649 1.00 0.00 O ATOM 0 H GLU A 33 8.830 2.340 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 33 10.793 1.178 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.519 2.656 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.646 2.146 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.745 3.585 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.821 4.487 -3.454 1.00 0.00 H new ATOM 526 N GLY A 34 10.699 -1.007 -3.548 1.00 0.00 N ATOM 527 CA GLY A 34 10.908 -2.273 -2.792 1.00 0.00 C ATOM 528 C GLY A 34 9.569 -2.785 -2.263 1.00 0.00 C ATOM 529 O GLY A 34 9.360 -3.974 -2.126 1.00 0.00 O ATOM 0 H GLY A 34 10.441 -1.122 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.365 -3.022 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.596 -2.104 -1.964 1.00 0.00 H new ATOM 533 N CYS A 35 8.658 -1.900 -1.964 1.00 0.00 N ATOM 534 CA CYS A 35 7.336 -2.349 -1.444 1.00 0.00 C ATOM 535 C CYS A 35 6.232 -1.916 -2.411 1.00 0.00 C ATOM 536 O CYS A 35 6.411 -1.020 -3.210 1.00 0.00 O ATOM 537 CB CYS A 35 7.092 -1.718 -0.071 1.00 0.00 C ATOM 538 SG CYS A 35 6.275 -2.916 1.010 1.00 0.00 S ATOM 0 H CYS A 35 8.771 -0.891 -2.057 1.00 0.00 H new ATOM 0 HA CYS A 35 7.329 -3.435 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.038 -1.402 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.475 -0.826 -0.174 1.00 0.00 H new ATOM 543 N LEU A 36 5.091 -2.548 -2.344 1.00 0.00 N ATOM 544 CA LEU A 36 3.976 -2.172 -3.256 1.00 0.00 C ATOM 545 C LEU A 36 2.657 -2.187 -2.485 1.00 0.00 C ATOM 546 O LEU A 36 2.158 -3.234 -2.107 1.00 0.00 O ATOM 547 CB LEU A 36 3.894 -3.167 -4.414 1.00 0.00 C ATOM 548 CG LEU A 36 3.132 -2.532 -5.574 1.00 0.00 C ATOM 549 CD1 LEU A 36 1.683 -2.287 -5.164 1.00 0.00 C ATOM 550 CD2 LEU A 36 3.789 -1.201 -5.950 1.00 0.00 C ATOM 0 H LEU A 36 4.884 -3.308 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 36 4.160 -1.172 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.896 -3.452 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.392 -4.079 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 36 3.155 -3.204 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.142 -1.834 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.214 -3.235 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.656 -1.617 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.245 -0.748 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.768 -0.530 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.823 -1.377 -6.248 1.00 0.00 H new ATOM 562 N TRP A 37 2.083 -1.033 -2.266 1.00 0.00 N ATOM 563 CA TRP A 37 0.787 -0.964 -1.533 1.00 0.00 C ATOM 564 C TRP A 37 -0.362 -1.018 -2.549 1.00 0.00 C ATOM 565 O TRP A 37 -0.141 -1.012 -3.743 1.00 0.00 O ATOM 566 CB TRP A 37 0.723 0.338 -0.725 1.00 0.00 C ATOM 567 CG TRP A 37 1.958 0.478 0.106 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.202 0.715 -0.371 1.00 0.00 C ATOM 569 CD2 TRP A 37 2.082 0.400 1.555 1.00 0.00 C ATOM 570 NE1 TRP A 37 4.084 0.782 0.693 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.440 0.594 1.902 1.00 0.00 C ATOM 572 CE3 TRP A 37 1.156 0.178 2.594 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.864 0.571 3.232 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.578 0.152 3.930 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.930 0.348 4.251 1.00 0.00 C ATOM 0 H TRP A 37 2.458 -0.133 -2.565 1.00 0.00 H new ATOM 0 HA TRP A 37 0.700 -1.805 -0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.628 1.190 -1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.159 0.337 -0.085 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.464 0.833 -1.412 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.086 0.949 0.597 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.113 0.027 2.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.906 0.724 3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.859 -0.020 4.717 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.250 0.327 5.282 1.00 0.00 H new ATOM 586 N ASN A 38 -1.584 -1.086 -2.096 1.00 0.00 N ATOM 587 CA ASN A 38 -2.726 -1.160 -3.056 1.00 0.00 C ATOM 588 C ASN A 38 -3.906 -0.335 -2.545 1.00 0.00 C ATOM 589 O ASN A 38 -4.430 -0.573 -1.472 1.00 0.00 O ATOM 590 CB ASN A 38 -3.164 -2.621 -3.210 1.00 0.00 C ATOM 591 CG ASN A 38 -4.534 -2.693 -3.891 1.00 0.00 C ATOM 592 OD1 ASN A 38 -4.625 -3.010 -5.058 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.609 -2.414 -3.204 1.00 0.00 N ATOM 0 H ASN A 38 -1.842 -1.094 -1.109 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.404 -0.761 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.428 -3.169 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.210 -3.100 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.526 -2.463 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.532 -2.147 -2.222 1.00 0.00 H new ATOM 600 N ALA A 39 -4.338 0.618 -3.324 1.00 0.00 N ATOM 601 CA ALA A 39 -5.495 1.456 -2.914 1.00 0.00 C ATOM 602 C ALA A 39 -6.770 0.882 -3.535 1.00 0.00 C ATOM 603 O ALA A 39 -6.758 0.356 -4.637 1.00 0.00 O ATOM 604 CB ALA A 39 -5.287 2.891 -3.402 1.00 0.00 C ATOM 0 H ALA A 39 -3.936 0.852 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.583 1.457 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.136 3.504 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.374 3.295 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.202 2.897 -4.489 1.00 0.00 H new ATOM 610 N THR A 40 -7.867 0.978 -2.834 1.00 0.00 N ATOM 611 CA THR A 40 -9.149 0.437 -3.370 1.00 0.00 C ATOM 612 C THR A 40 -10.009 1.580 -3.913 1.00 0.00 C ATOM 613 O THR A 40 -9.908 1.950 -5.066 1.00 0.00 O ATOM 614 CB THR A 40 -9.914 -0.289 -2.254 1.00 0.00 C ATOM 615 OG1 THR A 40 -11.310 -0.204 -2.509 1.00 0.00 O ATOM 616 CG2 THR A 40 -9.603 0.356 -0.901 1.00 0.00 C ATOM 0 H THR A 40 -7.931 1.409 -1.912 1.00 0.00 H new ATOM 0 HA THR A 40 -8.928 -0.264 -4.175 1.00 0.00 H new ATOM 0 HB THR A 40 -9.606 -1.334 -2.230 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.772 0.106 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.150 -0.165 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.533 0.290 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.904 1.403 -0.919 1.00 0.00 H new ATOM 624 N GLY A 41 -10.859 2.138 -3.095 1.00 0.00 N ATOM 625 CA GLY A 41 -11.730 3.249 -3.572 1.00 0.00 C ATOM 626 C GLY A 41 -11.470 4.507 -2.744 1.00 0.00 C ATOM 627 O GLY A 41 -10.833 5.437 -3.197 1.00 0.00 O ATOM 0 H GLY A 41 -10.988 1.873 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.534 3.450 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.778 2.961 -3.492 1.00 0.00 H new ATOM 631 N VAL A 42 -11.963 4.548 -1.535 1.00 0.00 N ATOM 632 CA VAL A 42 -11.750 5.751 -0.681 1.00 0.00 C ATOM 633 C VAL A 42 -10.264 6.112 -0.652 1.00 0.00 C ATOM 634 O VAL A 42 -9.523 5.666 0.203 1.00 0.00 O ATOM 635 CB VAL A 42 -12.231 5.459 0.740 1.00 0.00 C ATOM 636 CG1 VAL A 42 -11.777 6.582 1.674 1.00 0.00 C ATOM 637 CG2 VAL A 42 -13.757 5.377 0.750 1.00 0.00 C ATOM 0 H VAL A 42 -12.504 3.800 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.314 6.587 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.811 4.512 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.120 6.374 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.689 6.645 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.198 7.529 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.104 5.169 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.175 6.325 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.083 4.578 0.084 1.00 0.00 H new ATOM 647 N VAL A 43 -9.823 6.922 -1.574 1.00 0.00 N ATOM 648 CA VAL A 43 -8.386 7.319 -1.597 1.00 0.00 C ATOM 649 C VAL A 43 -8.279 8.791 -1.997 1.00 0.00 C ATOM 650 O VAL A 43 -8.519 9.152 -3.131 1.00 0.00 O ATOM 651 CB VAL A 43 -7.626 6.463 -2.616 1.00 0.00 C ATOM 652 CG1 VAL A 43 -6.159 6.893 -2.643 1.00 0.00 C ATOM 653 CG2 VAL A 43 -7.715 4.986 -2.225 1.00 0.00 C ATOM 0 H VAL A 43 -10.396 7.327 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.954 7.169 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.069 6.600 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.615 6.286 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.093 7.943 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.722 6.757 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.173 4.383 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.276 4.844 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.760 4.677 -2.205 1.00 0.00 H new ATOM 663 N VAL A 44 -7.922 9.645 -1.076 1.00 0.00 N ATOM 664 CA VAL A 44 -7.803 11.092 -1.413 1.00 0.00 C ATOM 665 C VAL A 44 -6.858 11.250 -2.605 1.00 0.00 C ATOM 666 O VAL A 44 -5.692 10.921 -2.530 1.00 0.00 O ATOM 667 CB VAL A 44 -7.241 11.852 -0.210 1.00 0.00 C ATOM 668 CG1 VAL A 44 -7.016 13.317 -0.592 1.00 0.00 C ATOM 669 CG2 VAL A 44 -8.236 11.775 0.950 1.00 0.00 C ATOM 0 H VAL A 44 -7.708 9.404 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.784 11.494 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.294 11.406 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.616 13.859 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.309 13.373 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.963 13.764 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.837 12.316 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.183 12.222 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.398 10.732 1.222 1.00 0.00 H new ATOM 679 N CYS A 45 -7.346 11.740 -3.713 1.00 0.00 N ATOM 680 CA CYS A 45 -6.457 11.895 -4.897 1.00 0.00 C ATOM 681 C CYS A 45 -6.392 13.361 -5.329 1.00 0.00 C ATOM 682 O CYS A 45 -7.359 14.090 -5.254 1.00 0.00 O ATOM 683 CB CYS A 45 -6.993 11.046 -6.055 1.00 0.00 C ATOM 684 SG CYS A 45 -6.290 9.376 -5.972 1.00 0.00 S ATOM 0 H CYS A 45 -8.313 12.037 -3.848 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.455 11.562 -4.628 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.081 10.995 -6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.737 11.511 -7.007 1.00 0.00 H new ATOM 689 N THR A 46 -5.247 13.785 -5.791 1.00 0.00 N ATOM 690 CA THR A 46 -5.086 15.191 -6.245 1.00 0.00 C ATOM 691 C THR A 46 -4.134 15.221 -7.443 1.00 0.00 C ATOM 692 O THR A 46 -3.264 14.373 -7.584 1.00 0.00 O ATOM 693 CB THR A 46 -4.501 16.037 -5.111 1.00 0.00 C ATOM 694 OG1 THR A 46 -4.419 17.393 -5.528 1.00 0.00 O ATOM 695 CG2 THR A 46 -3.103 15.524 -4.759 1.00 0.00 C ATOM 0 H THR A 46 -4.409 13.209 -5.873 1.00 0.00 H new ATOM 0 HA THR A 46 -6.057 15.596 -6.530 1.00 0.00 H new ATOM 0 HB THR A 46 -5.144 15.965 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.046 17.936 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.687 16.127 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.167 14.484 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.458 15.596 -5.635 1.00 0.00 H new ATOM 703 N GLY A 47 -4.292 16.187 -8.310 1.00 0.00 N ATOM 704 CA GLY A 47 -3.404 16.275 -9.503 1.00 0.00 C ATOM 705 C GLY A 47 -3.767 15.159 -10.479 1.00 0.00 C ATOM 706 O GLY A 47 -2.954 14.316 -10.803 1.00 0.00 O ATOM 0 H GLY A 47 -4.999 16.919 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.516 17.247 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.360 16.187 -9.202 1.00 0.00 H new ATOM 710 N ASP A 48 -4.988 15.134 -10.939 1.00 0.00 N ATOM 711 CA ASP A 48 -5.402 14.055 -11.874 1.00 0.00 C ATOM 712 C ASP A 48 -5.349 12.722 -11.134 1.00 0.00 C ATOM 713 O ASP A 48 -5.433 11.665 -11.726 1.00 0.00 O ATOM 714 CB ASP A 48 -4.443 14.005 -13.059 1.00 0.00 C ATOM 715 CG ASP A 48 -3.998 15.423 -13.419 1.00 0.00 C ATOM 716 OD1 ASP A 48 -4.728 16.349 -13.107 1.00 0.00 O ATOM 717 OD2 ASP A 48 -2.934 15.559 -13.999 1.00 0.00 O ATOM 0 H ASP A 48 -5.713 15.813 -10.708 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.412 14.249 -12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.576 13.392 -12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.930 13.538 -13.915 1.00 0.00 H new ATOM 722 N GLU A 49 -5.199 12.771 -9.839 1.00 0.00 N ATOM 723 CA GLU A 49 -5.129 11.524 -9.037 1.00 0.00 C ATOM 724 C GLU A 49 -3.746 10.891 -9.190 1.00 0.00 C ATOM 725 O GLU A 49 -3.582 9.696 -9.046 1.00 0.00 O ATOM 726 CB GLU A 49 -6.213 10.542 -9.493 1.00 0.00 C ATOM 727 CG GLU A 49 -7.548 11.279 -9.633 1.00 0.00 C ATOM 728 CD GLU A 49 -8.517 10.430 -10.457 1.00 0.00 C ATOM 729 OE1 GLU A 49 -8.118 9.967 -11.512 1.00 0.00 O ATOM 730 OE2 GLU A 49 -9.644 10.257 -10.019 1.00 0.00 O ATOM 0 H GLU A 49 -5.121 13.633 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.297 11.765 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.933 10.092 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.308 9.730 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.970 11.479 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.394 12.244 -10.115 1.00 0.00 H new ATOM 737 N THR A 50 -2.746 11.685 -9.454 1.00 0.00 N ATOM 738 CA THR A 50 -1.373 11.128 -9.583 1.00 0.00 C ATOM 739 C THR A 50 -0.823 10.905 -8.179 1.00 0.00 C ATOM 740 O THR A 50 -0.081 9.976 -7.930 1.00 0.00 O ATOM 741 CB THR A 50 -0.478 12.110 -10.343 1.00 0.00 C ATOM 742 OG1 THR A 50 0.756 11.480 -10.647 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.221 13.350 -9.485 1.00 0.00 C ATOM 0 H THR A 50 -2.821 12.694 -9.586 1.00 0.00 H new ATOM 0 HA THR A 50 -1.397 10.189 -10.135 1.00 0.00 H new ATOM 0 HB THR A 50 -0.974 12.411 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.331 12.106 -11.135 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.417 14.045 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.169 13.834 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.273 13.056 -8.559 1.00 0.00 H new ATOM 751 N GLN A 51 -1.210 11.736 -7.252 1.00 0.00 N ATOM 752 CA GLN A 51 -0.743 11.558 -5.853 1.00 0.00 C ATOM 753 C GLN A 51 -1.966 11.327 -4.980 1.00 0.00 C ATOM 754 O GLN A 51 -2.969 11.990 -5.128 1.00 0.00 O ATOM 755 CB GLN A 51 -0.008 12.807 -5.380 1.00 0.00 C ATOM 756 CG GLN A 51 0.751 13.429 -6.554 1.00 0.00 C ATOM 757 CD GLN A 51 1.890 14.303 -6.026 1.00 0.00 C ATOM 758 OE1 GLN A 51 3.011 14.202 -6.484 1.00 0.00 O ATOM 759 NE2 GLN A 51 1.648 15.164 -5.077 1.00 0.00 N ATOM 0 H GLN A 51 -1.830 12.531 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.059 10.712 -5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.717 13.526 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.686 12.552 -4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.150 12.645 -7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.073 14.027 -7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.707 15.248 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.400 15.753 -4.719 1.00 0.00 H new ATOM 768 N CYS A 52 -1.914 10.392 -4.081 1.00 0.00 N ATOM 769 CA CYS A 52 -3.115 10.149 -3.235 1.00 0.00 C ATOM 770 C CYS A 52 -2.724 9.567 -1.877 1.00 0.00 C ATOM 771 O CYS A 52 -1.579 9.242 -1.624 1.00 0.00 O ATOM 772 CB CYS A 52 -4.058 9.162 -3.940 1.00 0.00 C ATOM 773 SG CYS A 52 -4.310 9.655 -5.666 1.00 0.00 S ATOM 0 H CYS A 52 -1.110 9.793 -3.894 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.614 11.106 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.639 8.157 -3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.016 9.130 -3.421 1.00 0.00 H new ATOM 778 N TYR A 53 -3.690 9.426 -1.007 1.00 0.00 N ATOM 779 CA TYR A 53 -3.426 8.860 0.341 1.00 0.00 C ATOM 780 C TYR A 53 -4.676 8.105 0.816 1.00 0.00 C ATOM 781 O TYR A 53 -5.737 8.203 0.229 1.00 0.00 O ATOM 782 CB TYR A 53 -3.077 10.002 1.318 1.00 0.00 C ATOM 783 CG TYR A 53 -3.496 9.638 2.729 1.00 0.00 C ATOM 784 CD1 TYR A 53 -4.834 9.784 3.112 1.00 0.00 C ATOM 785 CD2 TYR A 53 -2.554 9.148 3.644 1.00 0.00 C ATOM 786 CE1 TYR A 53 -5.233 9.440 4.409 1.00 0.00 C ATOM 787 CE2 TYR A 53 -2.954 8.805 4.943 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.293 8.950 5.324 1.00 0.00 C ATOM 789 OH TYR A 53 -4.689 8.609 6.601 1.00 0.00 O ATOM 0 H TYR A 53 -4.662 9.684 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.585 8.168 0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.005 10.199 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.578 10.919 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.559 10.162 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.521 9.035 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.266 9.553 4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.229 8.429 5.650 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.915 8.285 7.108 1.00 0.00 H new ATOM 799 N GLY A 54 -4.553 7.354 1.876 1.00 0.00 N ATOM 800 CA GLY A 54 -5.720 6.588 2.396 1.00 0.00 C ATOM 801 C GLY A 54 -5.262 5.180 2.774 1.00 0.00 C ATOM 802 O GLY A 54 -4.267 5.005 3.449 1.00 0.00 O ATOM 0 H GLY A 54 -3.690 7.238 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.144 7.092 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.505 6.539 1.641 1.00 0.00 H new ATOM 806 N THR A 55 -5.966 4.172 2.340 1.00 0.00 N ATOM 807 CA THR A 55 -5.546 2.784 2.673 1.00 0.00 C ATOM 808 C THR A 55 -4.918 2.140 1.443 1.00 0.00 C ATOM 809 O THR A 55 -5.522 2.040 0.393 1.00 0.00 O ATOM 810 CB THR A 55 -6.758 1.949 3.094 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.790 2.099 2.129 1.00 0.00 O ATOM 812 CG2 THR A 55 -7.261 2.420 4.453 1.00 0.00 C ATOM 0 H THR A 55 -6.810 4.249 1.772 1.00 0.00 H new ATOM 0 HA THR A 55 -4.828 2.822 3.493 1.00 0.00 H new ATOM 0 HB THR A 55 -6.469 0.900 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.395 2.164 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.124 1.823 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.469 2.305 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.550 3.469 4.390 1.00 0.00 H new ATOM 820 N TRP A 56 -3.714 1.692 1.581 1.00 0.00 N ATOM 821 CA TRP A 56 -3.017 1.031 0.457 1.00 0.00 C ATOM 822 C TRP A 56 -2.579 -0.374 0.892 1.00 0.00 C ATOM 823 O TRP A 56 -1.422 -0.613 1.150 1.00 0.00 O ATOM 824 CB TRP A 56 -1.788 1.847 0.137 1.00 0.00 C ATOM 825 CG TRP A 56 -2.178 3.262 -0.105 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.533 4.147 0.852 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.262 3.966 -1.371 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.826 5.356 0.252 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.675 5.294 -1.124 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.018 3.578 -2.700 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -2.842 6.211 -2.163 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.184 4.493 -3.748 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.596 5.808 -3.483 1.00 0.00 C ATOM 0 H TRP A 56 -3.171 1.757 2.442 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.672 0.956 -0.411 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.077 1.791 0.961 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.289 1.441 -0.743 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.580 3.943 1.911 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.118 6.192 0.759 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.701 2.568 -2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.158 7.222 -1.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.994 4.185 -4.765 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.723 6.509 -4.295 1.00 0.00 H new ATOM 844 N VAL A 57 -3.484 -1.294 1.024 1.00 0.00 N ATOM 845 CA VAL A 57 -3.084 -2.659 1.490 1.00 0.00 C ATOM 846 C VAL A 57 -1.795 -3.115 0.779 1.00 0.00 C ATOM 847 O VAL A 57 -1.686 -3.006 -0.423 1.00 0.00 O ATOM 848 CB VAL A 57 -4.209 -3.650 1.192 1.00 0.00 C ATOM 849 CG1 VAL A 57 -5.209 -3.647 2.350 1.00 0.00 C ATOM 850 CG2 VAL A 57 -4.925 -3.237 -0.098 1.00 0.00 C ATOM 0 H VAL A 57 -4.478 -1.170 0.833 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.899 -2.623 2.564 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.791 -4.649 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.012 -4.353 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.702 -3.938 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.627 -2.647 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.727 -3.943 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.344 -2.238 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.214 -3.236 -0.924 1.00 0.00 H new ATOM 860 N PRO A 58 -0.859 -3.631 1.551 1.00 0.00 N ATOM 861 CA PRO A 58 0.430 -4.125 1.027 1.00 0.00 C ATOM 862 C PRO A 58 0.219 -5.485 0.362 1.00 0.00 C ATOM 863 O PRO A 58 -0.543 -6.302 0.841 1.00 0.00 O ATOM 864 CB PRO A 58 1.321 -4.219 2.275 1.00 0.00 C ATOM 865 CG PRO A 58 0.367 -4.298 3.490 1.00 0.00 C ATOM 866 CD PRO A 58 -1.006 -3.781 3.011 1.00 0.00 C ATOM 0 HA PRO A 58 0.878 -3.485 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.963 -5.099 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.975 -3.350 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.289 -5.322 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.741 -3.693 4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.802 -4.483 3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.259 -2.832 3.483 1.00 0.00 H new ATOM 874 N ILE A 59 0.850 -5.729 -0.756 1.00 0.00 N ATOM 875 CA ILE A 59 0.625 -7.027 -1.446 1.00 0.00 C ATOM 876 C ILE A 59 1.813 -7.410 -2.324 1.00 0.00 C ATOM 877 O ILE A 59 2.089 -8.577 -2.518 1.00 0.00 O ATOM 878 CB ILE A 59 -0.602 -6.900 -2.349 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.461 -5.645 -3.232 1.00 0.00 C ATOM 880 CG2 ILE A 59 -1.870 -6.810 -1.493 1.00 0.00 C ATOM 881 CD1 ILE A 59 -0.996 -4.406 -2.504 1.00 0.00 C ATOM 0 H ILE A 59 1.503 -5.093 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 59 0.487 -7.793 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.676 -7.779 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.586 -5.495 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.006 -5.788 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.741 -6.720 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.963 -7.709 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.809 -5.937 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.887 -3.532 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.049 -4.551 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.433 -4.253 -1.583 1.00 0.00 H new ATOM 893 N GLY A 60 2.499 -6.462 -2.896 1.00 0.00 N ATOM 894 CA GLY A 60 3.624 -6.840 -3.790 1.00 0.00 C ATOM 895 C GLY A 60 4.885 -6.062 -3.441 1.00 0.00 C ATOM 896 O GLY A 60 4.851 -5.076 -2.735 1.00 0.00 O ATOM 0 H GLY A 60 2.334 -5.461 -2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.817 -7.909 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.349 -6.647 -4.827 1.00 0.00 H new ATOM 900 N LEU A 61 6.002 -6.500 -3.950 1.00 0.00 N ATOM 901 CA LEU A 61 7.275 -5.792 -3.674 1.00 0.00 C ATOM 902 C LEU A 61 7.298 -4.494 -4.477 1.00 0.00 C ATOM 903 O LEU A 61 7.936 -3.533 -4.099 1.00 0.00 O ATOM 904 CB LEU A 61 8.451 -6.675 -4.091 1.00 0.00 C ATOM 905 CG LEU A 61 8.236 -8.090 -3.553 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.501 -8.920 -3.769 1.00 0.00 C ATOM 907 CD2 LEU A 61 7.923 -8.024 -2.057 1.00 0.00 C ATOM 0 H LEU A 61 6.085 -7.322 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 61 7.355 -5.571 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.538 -6.696 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.384 -6.264 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 61 7.403 -8.554 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.345 -9.928 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.727 -8.969 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.335 -8.456 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.770 -9.032 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.756 -7.558 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.020 -7.434 -1.900 1.00 0.00 H new ATOM 919 N ALA A 62 6.599 -4.448 -5.583 1.00 0.00 N ATOM 920 CA ALA A 62 6.592 -3.193 -6.385 1.00 0.00 C ATOM 921 C ALA A 62 5.862 -3.381 -7.724 1.00 0.00 C ATOM 922 O ALA A 62 6.322 -2.893 -8.735 1.00 0.00 O ATOM 923 CB ALA A 62 8.036 -2.768 -6.658 1.00 0.00 C ATOM 0 H ALA A 62 6.041 -5.215 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 62 6.065 -2.428 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.040 -1.850 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.550 -2.596 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.548 -3.555 -7.212 1.00 0.00 H new ATOM 929 N ILE A 63 4.718 -4.036 -7.744 1.00 0.00 N ATOM 930 CA ILE A 63 3.970 -4.190 -9.040 1.00 0.00 C ATOM 931 C ILE A 63 2.891 -5.307 -8.996 1.00 0.00 C ATOM 932 O ILE A 63 1.862 -5.152 -9.625 1.00 0.00 O ATOM 933 CB ILE A 63 4.964 -4.437 -10.201 1.00 0.00 C ATOM 934 CG1 ILE A 63 5.023 -3.180 -11.080 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.535 -5.627 -11.070 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.606 -2.771 -11.505 1.00 0.00 C ATOM 0 H ILE A 63 4.276 -4.465 -6.931 1.00 0.00 H new ATOM 0 HA ILE A 63 3.435 -3.256 -9.209 1.00 0.00 H new ATOM 0 HB ILE A 63 5.940 -4.661 -9.771 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.497 -2.365 -10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.635 -3.371 -11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.257 -5.769 -11.874 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.492 -6.528 -10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.551 -5.430 -11.496 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.657 -1.878 -12.128 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.147 -3.582 -12.070 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.007 -2.561 -10.619 1.00 0.00 H new ATOM 948 N PRO A 64 3.129 -6.407 -8.309 1.00 0.00 N ATOM 949 CA PRO A 64 2.146 -7.511 -8.276 1.00 0.00 C ATOM 950 C PRO A 64 0.901 -7.149 -7.458 1.00 0.00 C ATOM 951 O PRO A 64 0.963 -6.434 -6.478 1.00 0.00 O ATOM 952 CB PRO A 64 2.923 -8.682 -7.671 1.00 0.00 C ATOM 953 CG PRO A 64 4.121 -8.071 -6.914 1.00 0.00 C ATOM 954 CD PRO A 64 4.347 -6.664 -7.506 1.00 0.00 C ATOM 0 HA PRO A 64 1.753 -7.748 -9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.291 -9.259 -6.996 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.264 -9.365 -8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.915 -8.013 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.011 -8.689 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.472 -5.917 -6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.245 -6.631 -8.123 1.00 0.00 H new ATOM 962 N GLU A 65 -0.237 -7.639 -7.889 1.00 0.00 N ATOM 963 CA GLU A 65 -1.521 -7.338 -7.188 1.00 0.00 C ATOM 964 C GLU A 65 -1.592 -8.084 -5.854 1.00 0.00 C ATOM 965 O GLU A 65 -0.587 -8.447 -5.275 1.00 0.00 O ATOM 966 CB GLU A 65 -2.697 -7.779 -8.071 1.00 0.00 C ATOM 967 CG GLU A 65 -2.734 -9.307 -8.154 1.00 0.00 C ATOM 968 CD GLU A 65 -2.497 -9.745 -9.599 1.00 0.00 C ATOM 969 OE1 GLU A 65 -3.449 -9.742 -10.362 1.00 0.00 O ATOM 970 OE2 GLU A 65 -1.367 -10.076 -9.920 1.00 0.00 O ATOM 0 H GLU A 65 -0.329 -8.242 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.573 -6.266 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.634 -7.405 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.595 -7.353 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.972 -9.736 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.697 -9.678 -7.804 1.00 0.00 H new ATOM 977 N ASN A 66 -2.781 -8.306 -5.364 1.00 0.00 N ATOM 978 CA ASN A 66 -2.942 -9.016 -4.066 1.00 0.00 C ATOM 979 C ASN A 66 -2.984 -10.527 -4.302 1.00 0.00 C ATOM 980 O ASN A 66 -2.554 -11.305 -3.473 1.00 0.00 O ATOM 981 CB ASN A 66 -4.243 -8.567 -3.401 1.00 0.00 C ATOM 982 CG ASN A 66 -4.421 -9.317 -2.081 1.00 0.00 C ATOM 983 OD1 ASN A 66 -4.497 -10.529 -2.064 1.00 0.00 O ATOM 984 ND2 ASN A 66 -4.487 -8.645 -0.966 1.00 0.00 N ATOM 0 H ASN A 66 -3.653 -8.023 -5.811 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.098 -8.779 -3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.221 -7.492 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.088 -8.763 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.602 -9.137 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.423 -7.627 -0.979 1.00 0.00 H new ATOM 991 N ALA A 67 -3.492 -10.951 -5.425 1.00 0.00 N ATOM 992 CA ALA A 67 -3.552 -12.414 -5.706 1.00 0.00 C ATOM 993 C ALA A 67 -2.129 -12.972 -5.772 1.00 0.00 C ATOM 994 O ALA A 67 -1.920 -14.169 -5.768 1.00 0.00 O ATOM 995 CB ALA A 67 -4.259 -12.649 -7.042 1.00 0.00 C ATOM 0 H ALA A 67 -3.867 -10.351 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.105 -12.918 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.303 -13.719 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.271 -12.247 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.708 -12.149 -7.838 1.00 0.00 H new ATOM 1001 N ALA A 68 -1.148 -12.112 -5.834 1.00 0.00 N ATOM 1002 CA ALA A 68 0.263 -12.589 -5.901 1.00 0.00 C ATOM 1003 C ALA A 68 0.557 -13.109 -7.309 1.00 0.00 C ATOM 1004 O ALA A 68 1.111 -14.177 -7.486 1.00 0.00 O ATOM 1005 CB ALA A 68 0.478 -13.713 -4.886 1.00 0.00 C ATOM 0 H ALA A 68 -1.263 -11.099 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 68 0.935 -11.763 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.511 -14.058 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.270 -13.342 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.194 -14.541 -5.113 1.00 0.00 H new ATOM 1011 N ALA A 69 0.193 -12.361 -8.313 1.00 0.00 N ATOM 1012 CA ALA A 69 0.453 -12.808 -9.710 1.00 0.00 C ATOM 1013 C ALA A 69 0.073 -14.284 -9.861 1.00 0.00 C ATOM 1014 O ALA A 69 0.901 -15.117 -10.168 1.00 0.00 O ATOM 1015 CB ALA A 69 1.938 -12.628 -10.032 1.00 0.00 C ATOM 0 H ALA A 69 -0.274 -11.458 -8.226 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.146 -12.211 -10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.131 -12.954 -11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.208 -11.577 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.535 -13.224 -9.342 1.00 0.00 H new ATOM 1021 N HIS A 70 -1.173 -14.614 -9.652 1.00 0.00 N ATOM 1022 CA HIS A 70 -1.601 -16.036 -9.791 1.00 0.00 C ATOM 1023 C HIS A 70 -2.510 -16.175 -11.013 1.00 0.00 C ATOM 1024 O HIS A 70 -2.767 -15.168 -11.653 1.00 0.00 O ATOM 1025 CB HIS A 70 -2.367 -16.467 -8.537 1.00 0.00 C ATOM 1026 CG HIS A 70 -1.821 -17.777 -8.037 1.00 0.00 C ATOM 1027 ND1 HIS A 70 -1.880 -18.137 -6.700 1.00 0.00 N ATOM 1028 CD2 HIS A 70 -1.204 -18.823 -8.681 1.00 0.00 C ATOM 1029 CE1 HIS A 70 -1.316 -19.353 -6.582 1.00 0.00 C ATOM 1030 NE2 HIS A 70 -0.886 -19.817 -7.759 1.00 0.00 N ATOM 1031 OXT HIS A 70 -2.935 -17.284 -11.287 1.00 0.00 O ATOM 0 H HIS A 70 -1.912 -13.961 -9.391 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.722 -16.669 -9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.276 -15.705 -7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.429 -16.567 -8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.997 -18.867 -9.740 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.222 -19.889 -5.649 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.424 -20.708 -7.943 1.00 0.00 H new TER 1039 HIS A 70