USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 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 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.06 (180deg=1.02) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -125:sc= 1.21 (180deg=0.0756) USER MOD Single : A 13 SER OG : rot 180:sc=0.000399 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 24 THR OG1 : rot -57:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot 82:sc= 0.957 USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00261) USER MOD Single : A 33 CYS SG : rot 81:sc= 0.0815 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 60:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 23:sc= 0.756 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0155) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.815 7.720 11.967 1.00 0.00 N ATOM 2 CA MET A 1 -5.790 6.702 12.433 1.00 0.00 C ATOM 3 C MET A 1 -6.255 5.808 11.286 1.00 0.00 C ATOM 4 O MET A 1 -6.005 4.588 11.290 1.00 0.00 O ATOM 5 CB MET A 1 -6.990 7.325 13.176 1.00 0.00 C ATOM 6 CG MET A 1 -6.665 7.608 14.646 1.00 0.00 C ATOM 7 SD MET A 1 -6.419 6.106 15.639 1.00 0.00 S ATOM 8 CE MET A 1 -6.213 6.845 17.281 1.00 0.00 C ATOM 0 H1 MET A 1 -4.417 8.221 12.787 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.049 7.252 11.442 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.295 8.401 11.345 1.00 0.00 H new ATOM 0 HA MET A 1 -5.263 6.078 13.155 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.281 8.253 12.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.844 6.651 13.116 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.765 8.220 14.699 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.474 8.193 15.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.051 6.057 18.017 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.354 7.516 17.273 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.110 7.407 17.542 1.00 0.00 H new ATOM 17 N LYS A 2 -6.937 6.362 10.275 1.00 0.00 N ATOM 18 CA LYS A 2 -7.457 5.614 9.116 1.00 0.00 C ATOM 19 C LYS A 2 -6.641 5.868 7.848 1.00 0.00 C ATOM 20 O LYS A 2 -6.125 6.969 7.639 1.00 0.00 O ATOM 21 CB LYS A 2 -8.947 5.927 8.889 1.00 0.00 C ATOM 22 CG LYS A 2 -9.812 5.501 10.086 1.00 0.00 C ATOM 23 CD LYS A 2 -11.307 5.678 9.792 1.00 0.00 C ATOM 24 CE LYS A 2 -12.132 5.314 11.032 1.00 0.00 C ATOM 25 NZ LYS A 2 -13.591 5.449 10.783 1.00 0.00 N ATOM 0 H LYS A 2 -7.148 7.359 10.236 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.358 4.553 9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.071 6.996 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.293 5.415 7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.609 4.458 10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.540 6.091 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.509 6.709 9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.598 5.046 8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.907 4.290 11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.844 5.958 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.115 5.194 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.809 6.432 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.871 4.815 10.007 1.00 0.00 H new ATOM 39 N ILE A 3 -6.579 4.854 6.985 1.00 0.00 N ATOM 40 CA ILE A 3 -5.997 4.905 5.636 1.00 0.00 C ATOM 41 C ILE A 3 -6.982 4.342 4.607 1.00 0.00 C ATOM 42 O ILE A 3 -7.844 3.531 4.952 1.00 0.00 O ATOM 43 CB ILE A 3 -4.617 4.200 5.569 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.658 2.668 5.807 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.628 4.857 6.549 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.820 1.830 4.531 1.00 0.00 C ATOM 0 H ILE A 3 -6.949 3.931 7.214 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.815 5.951 5.389 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.279 4.331 4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.739 2.367 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.482 2.440 6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.665 4.350 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.502 5.908 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.016 4.779 7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.839 0.772 4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.753 2.099 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.983 2.024 3.860 1.00 0.00 H new ATOM 58 N LYS A 4 -6.845 4.747 3.339 1.00 0.00 N ATOM 59 CA LYS A 4 -7.553 4.149 2.192 1.00 0.00 C ATOM 60 C LYS A 4 -6.585 3.397 1.280 1.00 0.00 C ATOM 61 O LYS A 4 -5.683 4.002 0.707 1.00 0.00 O ATOM 62 CB LYS A 4 -8.350 5.220 1.421 1.00 0.00 C ATOM 63 CG LYS A 4 -9.759 5.391 2.007 1.00 0.00 C ATOM 64 CD LYS A 4 -10.583 6.421 1.219 1.00 0.00 C ATOM 65 CE LYS A 4 -12.068 6.356 1.608 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.337 6.966 2.936 1.00 0.00 N ATOM 0 H LYS A 4 -6.228 5.514 3.072 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.268 3.421 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.819 6.171 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.422 4.938 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.275 4.431 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.684 5.705 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.197 7.423 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.475 6.236 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.661 6.868 0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.392 5.315 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.823 6.275 3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.438 7.244 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.939 7.806 2.817 1.00 0.00 H new ATOM 80 N ILE A 5 -6.787 2.092 1.105 1.00 0.00 N ATOM 81 CA ILE A 5 -6.135 1.322 0.034 1.00 0.00 C ATOM 82 C ILE A 5 -6.988 1.413 -1.242 1.00 0.00 C ATOM 83 O ILE A 5 -8.216 1.341 -1.179 1.00 0.00 O ATOM 84 CB ILE A 5 -5.820 -0.123 0.494 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.956 -0.920 -0.512 1.00 0.00 C ATOM 86 CG2 ILE A 5 -7.089 -0.942 0.786 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.539 -0.363 -0.692 1.00 0.00 C ATOM 0 H ILE A 5 -7.404 1.536 1.697 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.162 1.751 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.250 0.016 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.889 -1.955 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.458 -0.929 -1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.809 -1.946 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.661 -0.457 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.698 -1.004 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.996 -0.975 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.595 0.663 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.017 -0.380 0.265 1.00 0.00 H new ATOM 99 N VAL A 6 -6.348 1.595 -2.401 1.00 0.00 N ATOM 100 CA VAL A 6 -7.009 1.746 -3.711 1.00 0.00 C ATOM 101 C VAL A 6 -6.387 0.767 -4.725 1.00 0.00 C ATOM 102 O VAL A 6 -5.523 1.161 -5.514 1.00 0.00 O ATOM 103 CB VAL A 6 -6.988 3.217 -4.200 1.00 0.00 C ATOM 104 CG1 VAL A 6 -7.977 3.395 -5.361 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.355 4.220 -3.096 1.00 0.00 C ATOM 0 H VAL A 6 -5.331 1.643 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.063 1.489 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.966 3.422 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.957 4.431 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.694 2.738 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.982 3.142 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.323 5.232 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.359 4.007 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.644 4.134 -2.275 1.00 0.00 H new ATOM 115 N PRO A 7 -6.751 -0.531 -4.676 1.00 0.00 N ATOM 116 CA PRO A 7 -6.208 -1.551 -5.570 1.00 0.00 C ATOM 117 C PRO A 7 -6.902 -1.547 -6.942 1.00 0.00 C ATOM 118 O PRO A 7 -8.129 -1.518 -7.034 1.00 0.00 O ATOM 119 CB PRO A 7 -6.408 -2.874 -4.825 1.00 0.00 C ATOM 120 CG PRO A 7 -7.703 -2.643 -4.044 1.00 0.00 C ATOM 121 CD PRO A 7 -7.667 -1.147 -3.719 1.00 0.00 C ATOM 0 HA PRO A 7 -5.157 -1.371 -5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.497 -3.714 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.571 -3.093 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.580 -2.903 -4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.739 -3.249 -3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.662 -0.710 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.327 -0.981 -2.697 1.00 0.00 H new ATOM 129 N ALA A 8 -6.123 -1.664 -8.017 1.00 0.00 N ATOM 130 CA ALA A 8 -6.590 -1.809 -9.401 1.00 0.00 C ATOM 131 C ALA A 8 -7.109 -3.237 -9.733 1.00 0.00 C ATOM 132 O ALA A 8 -6.869 -3.758 -10.825 1.00 0.00 O ATOM 133 CB ALA A 8 -5.452 -1.344 -10.323 1.00 0.00 C ATOM 0 H ALA A 8 -5.105 -1.660 -7.947 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.468 -1.183 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.765 -1.438 -11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.213 -0.302 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.570 -1.961 -10.152 1.00 0.00 H new ATOM 139 N VAL A 9 -7.774 -3.898 -8.776 1.00 0.00 N ATOM 140 CA VAL A 9 -8.166 -5.323 -8.813 1.00 0.00 C ATOM 141 C VAL A 9 -9.591 -5.507 -8.269 1.00 0.00 C ATOM 142 O VAL A 9 -10.022 -4.773 -7.375 1.00 0.00 O ATOM 143 CB VAL A 9 -7.149 -6.199 -8.035 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.464 -7.699 -8.144 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.708 -6.006 -8.529 1.00 0.00 C ATOM 0 H VAL A 9 -8.069 -3.438 -7.915 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.158 -5.653 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.239 -5.868 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.723 -8.268 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.456 -7.893 -7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.437 -8.001 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.037 -6.642 -7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.646 -6.276 -9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.417 -4.963 -8.404 1.00 0.00 H new ATOM 155 N GLY A 10 -10.335 -6.488 -8.796 1.00 0.00 N ATOM 156 CA GLY A 10 -11.690 -6.825 -8.341 1.00 0.00 C ATOM 157 C GLY A 10 -12.683 -5.689 -8.607 1.00 0.00 C ATOM 158 O GLY A 10 -12.896 -5.300 -9.758 1.00 0.00 O ATOM 0 H GLY A 10 -10.008 -7.078 -9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.028 -7.729 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.670 -7.047 -7.274 1.00 0.00 H new ATOM 162 N GLY A 11 -13.267 -5.131 -7.540 1.00 0.00 N ATOM 163 CA GLY A 11 -14.158 -3.964 -7.611 1.00 0.00 C ATOM 164 C GLY A 11 -13.464 -2.655 -8.027 1.00 0.00 C ATOM 165 O GLY A 11 -14.136 -1.725 -8.477 1.00 0.00 O ATOM 0 H GLY A 11 -13.133 -5.480 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.959 -4.177 -8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.625 -3.819 -6.637 1.00 0.00 H new ATOM 169 N GLY A 12 -12.131 -2.567 -7.899 1.00 0.00 N ATOM 170 CA GLY A 12 -11.321 -1.406 -8.305 1.00 0.00 C ATOM 171 C GLY A 12 -11.504 -0.135 -7.455 1.00 0.00 C ATOM 172 O GLY A 12 -10.950 0.917 -7.788 1.00 0.00 O ATOM 0 H GLY A 12 -11.571 -3.321 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.270 -1.692 -8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.558 -1.165 -9.341 1.00 0.00 H new ATOM 176 N SER A 13 -12.308 -0.203 -6.392 1.00 0.00 N ATOM 177 CA SER A 13 -12.748 0.921 -5.553 1.00 0.00 C ATOM 178 C SER A 13 -11.821 1.179 -4.348 1.00 0.00 C ATOM 179 O SER A 13 -11.113 0.267 -3.904 1.00 0.00 O ATOM 180 CB SER A 13 -14.185 0.646 -5.081 1.00 0.00 C ATOM 181 OG SER A 13 -14.277 -0.596 -4.397 1.00 0.00 O ATOM 0 H SER A 13 -12.693 -1.092 -6.073 1.00 0.00 H new ATOM 0 HA SER A 13 -12.708 1.827 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.514 1.451 -4.423 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.857 0.641 -5.939 1.00 0.00 H new ATOM 0 HG SER A 13 -15.202 -0.742 -4.108 1.00 0.00 H new ATOM 187 N PRO A 14 -11.815 2.406 -3.780 1.00 0.00 N ATOM 188 CA PRO A 14 -11.162 2.689 -2.501 1.00 0.00 C ATOM 189 C PRO A 14 -11.823 1.923 -1.340 1.00 0.00 C ATOM 190 O PRO A 14 -13.047 1.759 -1.303 1.00 0.00 O ATOM 191 CB PRO A 14 -11.283 4.206 -2.308 1.00 0.00 C ATOM 192 CG PRO A 14 -12.552 4.561 -3.079 1.00 0.00 C ATOM 193 CD PRO A 14 -12.502 3.598 -4.264 1.00 0.00 C ATOM 0 HA PRO A 14 -10.122 2.364 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.366 4.472 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.413 4.732 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.448 4.415 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.552 5.602 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.506 3.356 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.970 4.041 -5.106 1.00 0.00 H new ATOM 201 N LEU A 15 -11.018 1.503 -0.359 1.00 0.00 N ATOM 202 CA LEU A 15 -11.463 0.805 0.853 1.00 0.00 C ATOM 203 C LEU A 15 -10.734 1.359 2.085 1.00 0.00 C ATOM 204 O LEU A 15 -9.503 1.368 2.137 1.00 0.00 O ATOM 205 CB LEU A 15 -11.273 -0.712 0.639 1.00 0.00 C ATOM 206 CG LEU A 15 -11.896 -1.602 1.735 1.00 0.00 C ATOM 207 CD1 LEU A 15 -12.241 -2.976 1.154 1.00 0.00 C ATOM 208 CD2 LEU A 15 -10.957 -1.840 2.918 1.00 0.00 C ATOM 0 H LEU A 15 -10.008 1.643 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.522 0.977 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.707 -0.986 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.206 -0.926 0.580 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.780 -1.071 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.680 -3.600 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.954 -2.857 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.334 -3.450 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.453 -2.473 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.049 -2.332 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.699 -0.885 3.375 1.00 0.00 H new ATOM 220 N GLU A 16 -11.491 1.849 3.070 1.00 0.00 N ATOM 221 CA GLU A 16 -10.958 2.453 4.301 1.00 0.00 C ATOM 222 C GLU A 16 -10.759 1.431 5.436 1.00 0.00 C ATOM 223 O GLU A 16 -11.617 0.579 5.681 1.00 0.00 O ATOM 224 CB GLU A 16 -11.821 3.653 4.729 1.00 0.00 C ATOM 225 CG GLU A 16 -13.262 3.314 5.153 1.00 0.00 C ATOM 226 CD GLU A 16 -14.127 4.575 5.357 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.086 5.500 4.506 1.00 0.00 O ATOM 228 OE2 GLU A 16 -14.868 4.645 6.368 1.00 0.00 O ATOM 0 H GLU A 16 -12.510 1.838 3.037 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.958 2.824 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.326 4.157 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.861 4.363 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.721 2.680 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.240 2.738 6.078 1.00 0.00 H new ATOM 235 N LEU A 17 -9.632 1.540 6.150 1.00 0.00 N ATOM 236 CA LEU A 17 -9.238 0.684 7.277 1.00 0.00 C ATOM 237 C LEU A 17 -8.480 1.473 8.356 1.00 0.00 C ATOM 238 O LEU A 17 -7.735 2.410 8.066 1.00 0.00 O ATOM 239 CB LEU A 17 -8.366 -0.489 6.770 1.00 0.00 C ATOM 240 CG LEU A 17 -9.160 -1.720 6.296 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.241 -2.675 5.532 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.766 -2.490 7.473 1.00 0.00 C ATOM 0 H LEU A 17 -8.938 2.260 5.949 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.149 0.294 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.746 -0.134 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.691 -0.794 7.569 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.962 -1.356 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.812 -3.542 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.824 -2.163 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.431 -3.001 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.319 -3.352 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.969 -2.830 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.442 -1.837 8.025 1.00 0.00 H new ATOM 254 N GLU A 18 -8.644 1.056 9.610 1.00 0.00 N ATOM 255 CA GLU A 18 -7.815 1.482 10.748 1.00 0.00 C ATOM 256 C GLU A 18 -6.495 0.690 10.776 1.00 0.00 C ATOM 257 O GLU A 18 -6.497 -0.528 10.572 1.00 0.00 O ATOM 258 CB GLU A 18 -8.583 1.267 12.064 1.00 0.00 C ATOM 259 CG GLU A 18 -9.816 2.177 12.197 1.00 0.00 C ATOM 260 CD GLU A 18 -10.794 1.712 13.296 1.00 0.00 C ATOM 261 OE1 GLU A 18 -10.361 1.148 14.331 1.00 0.00 O ATOM 262 OE2 GLU A 18 -12.021 1.927 13.136 1.00 0.00 O ATOM 0 H GLU A 18 -9.375 0.395 9.875 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.585 2.541 10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.899 0.226 12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.912 1.449 12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.488 3.193 12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.341 2.210 11.242 1.00 0.00 H new ATOM 269 N VAL A 19 -5.371 1.361 11.057 1.00 0.00 N ATOM 270 CA VAL A 19 -4.024 0.751 11.115 1.00 0.00 C ATOM 271 C VAL A 19 -3.183 1.304 12.273 1.00 0.00 C ATOM 272 O VAL A 19 -3.375 2.439 12.717 1.00 0.00 O ATOM 273 CB VAL A 19 -3.254 0.890 9.779 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.943 0.152 8.625 1.00 0.00 C ATOM 275 CG2 VAL A 19 -3.017 2.347 9.359 1.00 0.00 C ATOM 0 H VAL A 19 -5.365 2.362 11.255 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.190 -0.311 11.296 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.287 0.428 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.362 0.282 7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.014 -0.909 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.944 0.558 8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.473 2.370 8.415 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.976 2.851 9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.434 2.857 10.126 1.00 0.00 H new ATOM 285 N ALA A 20 -2.233 0.501 12.761 1.00 0.00 N ATOM 286 CA ALA A 20 -1.276 0.898 13.797 1.00 0.00 C ATOM 287 C ALA A 20 -0.248 1.935 13.278 1.00 0.00 C ATOM 288 O ALA A 20 0.127 1.886 12.101 1.00 0.00 O ATOM 289 CB ALA A 20 -0.578 -0.370 14.314 1.00 0.00 C ATOM 0 H ALA A 20 -2.106 -0.459 12.442 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.811 1.390 14.610 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.141 -0.100 15.088 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.321 -1.050 14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.058 -0.860 13.491 1.00 0.00 H new ATOM 295 N PRO A 21 0.285 2.830 14.138 1.00 0.00 N ATOM 296 CA PRO A 21 1.358 3.765 13.762 1.00 0.00 C ATOM 297 C PRO A 21 2.693 3.055 13.448 1.00 0.00 C ATOM 298 O PRO A 21 3.536 3.599 12.734 1.00 0.00 O ATOM 299 CB PRO A 21 1.491 4.713 14.961 1.00 0.00 C ATOM 300 CG PRO A 21 1.052 3.854 16.147 1.00 0.00 C ATOM 301 CD PRO A 21 -0.057 2.992 15.546 1.00 0.00 C ATOM 0 HA PRO A 21 1.112 4.292 12.840 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.515 5.068 15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.859 5.594 14.848 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.872 3.248 16.533 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.688 4.463 16.975 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.117 2.026 16.048 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.030 3.471 15.660 1.00 0.00 H new ATOM 309 N ASN A 22 2.871 1.823 13.943 1.00 0.00 N ATOM 310 CA ASN A 22 4.031 0.958 13.699 1.00 0.00 C ATOM 311 C ASN A 22 3.970 0.185 12.358 1.00 0.00 C ATOM 312 O ASN A 22 4.703 -0.790 12.178 1.00 0.00 O ATOM 313 CB ASN A 22 4.215 0.021 14.911 1.00 0.00 C ATOM 314 CG ASN A 22 4.405 0.758 16.230 1.00 0.00 C ATOM 315 OD1 ASN A 22 5.125 1.743 16.330 1.00 0.00 O ATOM 316 ND2 ASN A 22 3.762 0.312 17.286 1.00 0.00 N ATOM 0 H ASN A 22 2.180 1.384 14.551 1.00 0.00 H new ATOM 0 HA ASN A 22 4.908 1.596 13.593 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.345 -0.631 14.991 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.079 -0.621 14.736 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.864 0.786 18.183 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.161 -0.508 17.208 1.00 0.00 H new ATOM 323 N ALA A 23 3.096 0.578 11.421 1.00 0.00 N ATOM 324 CA ALA A 23 3.021 -0.006 10.079 1.00 0.00 C ATOM 325 C ALA A 23 4.344 0.160 9.297 1.00 0.00 C ATOM 326 O ALA A 23 5.002 1.202 9.381 1.00 0.00 O ATOM 327 CB ALA A 23 1.838 0.620 9.327 1.00 0.00 C ATOM 0 H ALA A 23 2.414 1.320 11.578 1.00 0.00 H new ATOM 0 HA ALA A 23 2.861 -1.080 10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.775 0.191 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.914 0.417 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.984 1.697 9.251 1.00 0.00 H new ATOM 333 N THR A 24 4.712 -0.861 8.514 1.00 0.00 N ATOM 334 CA THR A 24 6.016 -0.984 7.830 1.00 0.00 C ATOM 335 C THR A 24 5.833 -1.398 6.369 1.00 0.00 C ATOM 336 O THR A 24 5.027 -2.280 6.065 1.00 0.00 O ATOM 337 CB THR A 24 6.915 -2.001 8.568 1.00 0.00 C ATOM 338 OG1 THR A 24 7.171 -1.575 9.889 1.00 0.00 O ATOM 339 CG2 THR A 24 8.274 -2.237 7.905 1.00 0.00 C ATOM 0 H THR A 24 4.095 -1.652 8.330 1.00 0.00 H new ATOM 0 HA THR A 24 6.501 -0.008 7.847 1.00 0.00 H new ATOM 0 HB THR A 24 6.351 -2.933 8.539 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.587 -0.688 9.872 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.841 -2.964 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.125 -2.618 6.895 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.825 -1.298 7.861 1.00 0.00 H new ATOM 347 N VAL A 25 6.604 -0.795 5.456 1.00 0.00 N ATOM 348 CA VAL A 25 6.467 -0.980 3.995 1.00 0.00 C ATOM 349 C VAL A 25 6.600 -2.445 3.573 1.00 0.00 C ATOM 350 O VAL A 25 5.757 -2.955 2.837 1.00 0.00 O ATOM 351 CB VAL A 25 7.500 -0.129 3.229 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.332 -0.278 1.713 1.00 0.00 C ATOM 353 CG2 VAL A 25 7.398 1.355 3.599 1.00 0.00 C ATOM 0 H VAL A 25 7.355 -0.153 5.710 1.00 0.00 H new ATOM 0 HA VAL A 25 5.461 -0.648 3.740 1.00 0.00 H new ATOM 0 HB VAL A 25 8.483 -0.500 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.075 0.335 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.468 -1.323 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.333 0.048 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.142 1.922 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.402 1.723 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.578 1.477 4.667 1.00 0.00 H new ATOM 363 N GLY A 26 7.630 -3.141 4.070 1.00 0.00 N ATOM 364 CA GLY A 26 7.878 -4.552 3.753 1.00 0.00 C ATOM 365 C GLY A 26 6.751 -5.476 4.220 1.00 0.00 C ATOM 366 O GLY A 26 6.361 -6.383 3.483 1.00 0.00 O ATOM 0 H GLY A 26 8.318 -2.739 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.006 -4.660 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.813 -4.864 4.218 1.00 0.00 H new ATOM 370 N ALA A 27 6.167 -5.210 5.393 1.00 0.00 N ATOM 371 CA ALA A 27 5.016 -5.950 5.912 1.00 0.00 C ATOM 372 C ALA A 27 3.759 -5.731 5.050 1.00 0.00 C ATOM 373 O ALA A 27 3.106 -6.702 4.664 1.00 0.00 O ATOM 374 CB ALA A 27 4.784 -5.545 7.375 1.00 0.00 C ATOM 0 H ALA A 27 6.485 -4.466 6.014 1.00 0.00 H new ATOM 0 HA ALA A 27 5.228 -7.018 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.928 -6.091 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.670 -5.782 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.589 -4.474 7.429 1.00 0.00 H new ATOM 380 N VAL A 28 3.458 -4.477 4.681 1.00 0.00 N ATOM 381 CA VAL A 28 2.329 -4.130 3.795 1.00 0.00 C ATOM 382 C VAL A 28 2.487 -4.791 2.420 1.00 0.00 C ATOM 383 O VAL A 28 1.565 -5.465 1.957 1.00 0.00 O ATOM 384 CB VAL A 28 2.164 -2.598 3.674 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.132 -2.185 2.613 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.709 -1.997 5.011 1.00 0.00 C ATOM 0 H VAL A 28 3.994 -3.666 4.990 1.00 0.00 H new ATOM 0 HA VAL A 28 1.416 -4.520 4.245 1.00 0.00 H new ATOM 0 HB VAL A 28 3.144 -2.222 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.063 -1.098 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.442 -2.562 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.159 -2.602 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.598 -0.918 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.753 -2.433 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.452 -2.212 5.779 1.00 0.00 H new ATOM 396 N ARG A 29 3.665 -4.672 1.789 1.00 0.00 N ATOM 397 CA ARG A 29 3.942 -5.276 0.475 1.00 0.00 C ATOM 398 C ARG A 29 3.849 -6.803 0.521 1.00 0.00 C ATOM 399 O ARG A 29 3.164 -7.388 -0.312 1.00 0.00 O ATOM 400 CB ARG A 29 5.308 -4.798 -0.048 1.00 0.00 C ATOM 401 CG ARG A 29 5.451 -5.078 -1.554 1.00 0.00 C ATOM 402 CD ARG A 29 6.836 -4.679 -2.074 1.00 0.00 C ATOM 403 NE ARG A 29 6.876 -4.710 -3.553 1.00 0.00 N ATOM 404 CZ ARG A 29 6.825 -3.679 -4.378 1.00 0.00 C ATOM 405 NH1 ARG A 29 6.749 -2.447 -3.954 1.00 0.00 N ATOM 406 NH2 ARG A 29 6.846 -3.863 -5.664 1.00 0.00 N ATOM 0 H ARG A 29 4.454 -4.154 2.175 1.00 0.00 H new ATOM 0 HA ARG A 29 3.175 -4.944 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.419 -3.730 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.106 -5.302 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.282 -6.138 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.685 -4.529 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.087 -3.679 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.589 -5.357 -1.672 1.00 0.00 H new ATOM 0 HE ARG A 29 6.951 -5.631 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.727 -2.253 -2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.712 -1.679 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.902 -4.808 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.806 -3.062 -6.294 1.00 0.00 H new ATOM 420 N THR A 30 4.455 -7.442 1.526 1.00 0.00 N ATOM 421 CA THR A 30 4.399 -8.906 1.712 1.00 0.00 C ATOM 422 C THR A 30 2.960 -9.395 1.882 1.00 0.00 C ATOM 423 O THR A 30 2.565 -10.375 1.249 1.00 0.00 O ATOM 424 CB THR A 30 5.251 -9.353 2.916 1.00 0.00 C ATOM 425 OG1 THR A 30 6.609 -9.043 2.687 1.00 0.00 O ATOM 426 CG2 THR A 30 5.190 -10.858 3.186 1.00 0.00 C ATOM 0 H THR A 30 5.002 -6.961 2.240 1.00 0.00 H new ATOM 0 HA THR A 30 4.812 -9.356 0.809 1.00 0.00 H new ATOM 0 HB THR A 30 4.838 -8.823 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.772 -8.102 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.814 -11.099 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.160 -11.149 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.553 -11.399 2.312 1.00 0.00 H new ATOM 434 N LYS A 31 2.148 -8.695 2.686 1.00 0.00 N ATOM 435 CA LYS A 31 0.744 -9.050 2.931 1.00 0.00 C ATOM 436 C LYS A 31 -0.125 -8.904 1.676 1.00 0.00 C ATOM 437 O LYS A 31 -0.950 -9.777 1.412 1.00 0.00 O ATOM 438 CB LYS A 31 0.239 -8.228 4.127 1.00 0.00 C ATOM 439 CG LYS A 31 -1.093 -8.753 4.688 1.00 0.00 C ATOM 440 CD LYS A 31 -1.324 -8.330 6.152 1.00 0.00 C ATOM 441 CE LYS A 31 -0.350 -8.975 7.156 1.00 0.00 C ATOM 442 NZ LYS A 31 -0.541 -10.446 7.280 1.00 0.00 N ATOM 0 H LYS A 31 2.450 -7.860 3.188 1.00 0.00 H new ATOM 0 HA LYS A 31 0.670 -10.108 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.991 -8.242 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.116 -7.189 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.913 -8.384 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.108 -9.841 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.237 -7.246 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.344 -8.587 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.674 -8.771 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.484 -8.512 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.128 -10.825 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.514 -10.645 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.370 -10.897 6.359 1.00 0.00 H new ATOM 456 N VAL A 32 0.116 -7.881 0.848 1.00 0.00 N ATOM 457 CA VAL A 32 -0.521 -7.747 -0.477 1.00 0.00 C ATOM 458 C VAL A 32 -0.075 -8.856 -1.438 1.00 0.00 C ATOM 459 O VAL A 32 -0.931 -9.490 -2.051 1.00 0.00 O ATOM 460 CB VAL A 32 -0.295 -6.347 -1.080 1.00 0.00 C ATOM 461 CG1 VAL A 32 -0.796 -6.260 -2.528 1.00 0.00 C ATOM 462 CG2 VAL A 32 -1.056 -5.283 -0.275 1.00 0.00 C ATOM 0 H VAL A 32 0.757 -7.120 1.073 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.594 -7.864 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 32 0.780 -6.170 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.618 -5.257 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.263 -6.986 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.864 -6.475 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.884 -4.301 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.123 -5.507 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.702 -5.285 0.756 1.00 0.00 H new ATOM 472 N CYS A 33 1.225 -9.158 -1.538 1.00 0.00 N ATOM 473 CA CYS A 33 1.734 -10.254 -2.376 1.00 0.00 C ATOM 474 C CYS A 33 1.135 -11.615 -1.978 1.00 0.00 C ATOM 475 O CYS A 33 0.744 -12.390 -2.852 1.00 0.00 O ATOM 476 CB CYS A 33 3.268 -10.292 -2.305 1.00 0.00 C ATOM 477 SG CYS A 33 3.975 -8.853 -3.159 1.00 0.00 S ATOM 0 H CYS A 33 1.956 -8.650 -1.040 1.00 0.00 H new ATOM 0 HA CYS A 33 1.425 -10.062 -3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.590 -10.300 -1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.637 -11.211 -2.760 1.00 0.00 H new ATOM 0 HG CYS A 33 3.929 -7.817 -2.375 1.00 0.00 H new ATOM 483 N ALA A 34 0.985 -11.888 -0.678 1.00 0.00 N ATOM 484 CA ALA A 34 0.322 -13.090 -0.167 1.00 0.00 C ATOM 485 C ALA A 34 -1.189 -13.119 -0.486 1.00 0.00 C ATOM 486 O ALA A 34 -1.713 -14.159 -0.891 1.00 0.00 O ATOM 487 CB ALA A 34 0.578 -13.175 1.343 1.00 0.00 C ATOM 0 H ALA A 34 1.326 -11.271 0.059 1.00 0.00 H new ATOM 0 HA ALA A 34 0.741 -13.962 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.092 -14.064 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.651 -13.233 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.173 -12.289 1.831 1.00 0.00 H new ATOM 493 N MET A 35 -1.886 -11.983 -0.354 1.00 0.00 N ATOM 494 CA MET A 35 -3.326 -11.850 -0.634 1.00 0.00 C ATOM 495 C MET A 35 -3.658 -11.992 -2.133 1.00 0.00 C ATOM 496 O MET A 35 -4.627 -12.662 -2.498 1.00 0.00 O ATOM 497 CB MET A 35 -3.809 -10.503 -0.067 1.00 0.00 C ATOM 498 CG MET A 35 -5.326 -10.300 -0.142 1.00 0.00 C ATOM 499 SD MET A 35 -6.286 -11.406 0.932 1.00 0.00 S ATOM 500 CE MET A 35 -7.906 -10.595 0.833 1.00 0.00 C ATOM 0 H MET A 35 -1.458 -11.111 -0.043 1.00 0.00 H new ATOM 0 HA MET A 35 -3.856 -12.668 -0.145 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.494 -10.425 0.974 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.318 -9.695 -0.610 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.556 -9.268 0.122 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.649 -10.444 -1.173 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.626 -11.145 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.825 -9.573 1.204 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.242 -10.579 -0.204 1.00 0.00 H new ATOM 510 N LYS A 36 -2.837 -11.399 -3.012 1.00 0.00 N ATOM 511 CA LYS A 36 -2.900 -11.548 -4.481 1.00 0.00 C ATOM 512 C LYS A 36 -2.369 -12.904 -4.974 1.00 0.00 C ATOM 513 O LYS A 36 -2.758 -13.347 -6.054 1.00 0.00 O ATOM 514 CB LYS A 36 -2.106 -10.401 -5.142 1.00 0.00 C ATOM 515 CG LYS A 36 -2.655 -8.975 -4.923 1.00 0.00 C ATOM 516 CD LYS A 36 -3.956 -8.660 -5.684 1.00 0.00 C ATOM 517 CE LYS A 36 -5.253 -9.052 -4.955 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.578 -8.123 -3.838 1.00 0.00 N ATOM 0 H LYS A 36 -2.083 -10.780 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.951 -11.504 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.082 -10.434 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.061 -10.590 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.829 -8.828 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.892 -8.257 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.985 -7.591 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.929 -9.173 -6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.078 -9.063 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.156 -10.065 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.459 -8.428 -3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.804 -8.131 -3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.698 -7.160 -4.211 1.00 0.00 H new ATOM 532 N LYS A 37 -1.491 -13.554 -4.199 1.00 0.00 N ATOM 533 CA LYS A 37 -0.729 -14.772 -4.552 1.00 0.00 C ATOM 534 C LYS A 37 0.201 -14.577 -5.770 1.00 0.00 C ATOM 535 O LYS A 37 0.462 -15.513 -6.527 1.00 0.00 O ATOM 536 CB LYS A 37 -1.687 -15.989 -4.615 1.00 0.00 C ATOM 537 CG LYS A 37 -1.194 -17.221 -3.834 1.00 0.00 C ATOM 538 CD LYS A 37 0.036 -17.942 -4.407 1.00 0.00 C ATOM 539 CE LYS A 37 -0.259 -18.557 -5.781 1.00 0.00 C ATOM 540 NZ LYS A 37 0.891 -19.354 -6.282 1.00 0.00 N ATOM 0 H LYS A 37 -1.277 -13.231 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.015 -14.993 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.661 -15.691 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.833 -16.269 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.965 -16.911 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.013 -17.938 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.864 -17.238 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.353 -18.725 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.141 -19.193 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.491 -17.765 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.656 -19.755 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.726 -18.741 -6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.096 -20.125 -5.615 1.00 0.00 H new ATOM 554 N LEU A 38 0.697 -13.348 -5.959 1.00 0.00 N ATOM 555 CA LEU A 38 1.560 -12.901 -7.069 1.00 0.00 C ATOM 556 C LEU A 38 2.919 -12.364 -6.550 1.00 0.00 C ATOM 557 O LEU A 38 2.991 -11.893 -5.408 1.00 0.00 O ATOM 558 CB LEU A 38 0.818 -11.827 -7.904 1.00 0.00 C ATOM 559 CG LEU A 38 0.158 -12.346 -9.198 1.00 0.00 C ATOM 560 CD1 LEU A 38 -1.063 -13.229 -8.946 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.309 -11.172 -10.060 1.00 0.00 C ATOM 0 H LEU A 38 0.497 -12.591 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 38 1.778 -13.758 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.049 -11.371 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.525 -11.040 -8.166 1.00 0.00 H new ATOM 0 HG LEU A 38 0.923 -12.941 -9.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.477 -13.558 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.768 -14.098 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.816 -12.661 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.773 -11.551 -10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.034 -10.578 -9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.547 -10.549 -10.321 1.00 0.00 H new ATOM 573 N PRO A 39 3.996 -12.415 -7.362 1.00 0.00 N ATOM 574 CA PRO A 39 5.331 -11.938 -6.982 1.00 0.00 C ATOM 575 C PRO A 39 5.410 -10.404 -6.804 1.00 0.00 C ATOM 576 O PRO A 39 4.552 -9.670 -7.305 1.00 0.00 O ATOM 577 CB PRO A 39 6.266 -12.437 -8.095 1.00 0.00 C ATOM 578 CG PRO A 39 5.361 -12.519 -9.320 1.00 0.00 C ATOM 579 CD PRO A 39 4.023 -12.946 -8.721 1.00 0.00 C ATOM 0 HA PRO A 39 5.613 -12.324 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.097 -11.751 -8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.697 -13.408 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.287 -11.561 -9.834 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.729 -13.243 -10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.192 -12.555 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.928 -14.032 -8.716 1.00 0.00 H new ATOM 587 N PRO A 40 6.453 -9.881 -6.124 1.00 0.00 N ATOM 588 CA PRO A 40 6.608 -8.445 -5.854 1.00 0.00 C ATOM 589 C PRO A 40 6.872 -7.578 -7.099 1.00 0.00 C ATOM 590 O PRO A 40 6.713 -6.359 -7.016 1.00 0.00 O ATOM 591 CB PRO A 40 7.762 -8.349 -4.848 1.00 0.00 C ATOM 592 CG PRO A 40 8.604 -9.587 -5.154 1.00 0.00 C ATOM 593 CD PRO A 40 7.542 -10.626 -5.505 1.00 0.00 C ATOM 0 HA PRO A 40 5.671 -8.042 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.335 -7.431 -4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.400 -8.354 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.293 -9.415 -5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.204 -9.893 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.940 -11.378 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.200 -11.153 -4.614 1.00 0.00 H new ATOM 601 N ASP A 41 7.264 -8.158 -8.239 1.00 0.00 N ATOM 602 CA ASP A 41 7.503 -7.432 -9.501 1.00 0.00 C ATOM 603 C ASP A 41 6.212 -7.102 -10.278 1.00 0.00 C ATOM 604 O ASP A 41 6.156 -6.093 -10.984 1.00 0.00 O ATOM 605 CB ASP A 41 8.449 -8.247 -10.402 1.00 0.00 C ATOM 606 CG ASP A 41 9.869 -8.456 -9.839 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.319 -7.690 -8.953 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.564 -9.382 -10.321 1.00 0.00 O ATOM 0 H ASP A 41 7.428 -9.162 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 41 7.957 -6.480 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.000 -9.223 -10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.528 -7.746 -11.367 1.00 0.00 H new ATOM 613 N THR A 42 5.166 -7.928 -10.150 1.00 0.00 N ATOM 614 CA THR A 42 3.865 -7.751 -10.831 1.00 0.00 C ATOM 615 C THR A 42 2.884 -6.850 -10.064 1.00 0.00 C ATOM 616 O THR A 42 1.713 -6.740 -10.437 1.00 0.00 O ATOM 617 CB THR A 42 3.216 -9.105 -11.172 1.00 0.00 C ATOM 618 OG1 THR A 42 3.141 -9.934 -10.036 1.00 0.00 O ATOM 619 CG2 THR A 42 4.012 -9.865 -12.231 1.00 0.00 C ATOM 0 H THR A 42 5.195 -8.758 -9.558 1.00 0.00 H new ATOM 0 HA THR A 42 4.092 -7.231 -11.761 1.00 0.00 H new ATOM 0 HB THR A 42 2.219 -8.873 -11.547 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.604 -9.494 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.521 -10.815 -12.443 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.063 -9.271 -13.143 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.021 -10.052 -11.863 1.00 0.00 H new ATOM 627 N THR A 43 3.349 -6.180 -9.006 1.00 0.00 N ATOM 628 CA THR A 43 2.581 -5.215 -8.205 1.00 0.00 C ATOM 629 C THR A 43 3.417 -3.964 -7.906 1.00 0.00 C ATOM 630 O THR A 43 4.633 -4.042 -7.719 1.00 0.00 O ATOM 631 CB THR A 43 2.009 -5.878 -6.936 1.00 0.00 C ATOM 632 OG1 THR A 43 1.179 -4.980 -6.235 1.00 0.00 O ATOM 633 CG2 THR A 43 3.063 -6.387 -5.950 1.00 0.00 C ATOM 0 H THR A 43 4.305 -6.297 -8.669 1.00 0.00 H new ATOM 0 HA THR A 43 1.723 -4.881 -8.788 1.00 0.00 H new ATOM 0 HB THR A 43 1.456 -6.740 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.824 -5.420 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.569 -6.837 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.689 -7.133 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.683 -5.554 -5.618 1.00 0.00 H new ATOM 641 N ARG A 44 2.766 -2.798 -7.869 1.00 0.00 N ATOM 642 CA ARG A 44 3.355 -1.470 -7.593 1.00 0.00 C ATOM 643 C ARG A 44 2.499 -0.707 -6.580 1.00 0.00 C ATOM 644 O ARG A 44 1.283 -0.875 -6.555 1.00 0.00 O ATOM 645 CB ARG A 44 3.507 -0.687 -8.914 1.00 0.00 C ATOM 646 CG ARG A 44 4.722 -1.120 -9.754 1.00 0.00 C ATOM 647 CD ARG A 44 6.029 -0.505 -9.228 1.00 0.00 C ATOM 648 NE ARG A 44 7.221 -1.056 -9.908 1.00 0.00 N ATOM 649 CZ ARG A 44 7.700 -0.735 -11.098 1.00 0.00 C ATOM 650 NH1 ARG A 44 7.114 0.125 -11.882 1.00 0.00 N ATOM 651 NH2 ARG A 44 8.799 -1.284 -11.529 1.00 0.00 N ATOM 0 H ARG A 44 1.762 -2.744 -8.039 1.00 0.00 H new ATOM 0 HA ARG A 44 4.345 -1.594 -7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.602 -0.815 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.593 0.376 -8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.802 -2.207 -9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.572 -0.821 -10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.001 0.576 -9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.108 -0.687 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 44 7.737 -1.772 -9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.251 0.580 -11.585 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.519 0.343 -12.793 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.292 -1.963 -10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.167 -1.035 -12.447 1.00 0.00 H new ATOM 665 N LEU A 45 3.135 0.127 -5.755 1.00 0.00 N ATOM 666 CA LEU A 45 2.539 0.781 -4.582 1.00 0.00 C ATOM 667 C LEU A 45 3.022 2.239 -4.472 1.00 0.00 C ATOM 668 O LEU A 45 4.227 2.488 -4.381 1.00 0.00 O ATOM 669 CB LEU A 45 2.895 -0.066 -3.340 1.00 0.00 C ATOM 670 CG LEU A 45 2.442 0.496 -1.981 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.930 0.718 -1.894 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.841 -0.482 -0.875 1.00 0.00 C ATOM 0 H LEU A 45 4.115 0.376 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 45 1.454 0.834 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.457 -1.057 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.977 -0.197 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 45 2.929 1.464 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.677 1.115 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.622 1.427 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.414 -0.230 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.523 -0.089 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.362 -1.445 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.923 -0.610 -0.875 1.00 0.00 H new ATOM 684 N THR A 46 2.086 3.193 -4.488 1.00 0.00 N ATOM 685 CA THR A 46 2.363 4.638 -4.626 1.00 0.00 C ATOM 686 C THR A 46 1.599 5.479 -3.596 1.00 0.00 C ATOM 687 O THR A 46 0.425 5.224 -3.312 1.00 0.00 O ATOM 688 CB THR A 46 2.044 5.118 -6.060 1.00 0.00 C ATOM 689 OG1 THR A 46 2.772 4.364 -7.008 1.00 0.00 O ATOM 690 CG2 THR A 46 2.405 6.583 -6.323 1.00 0.00 C ATOM 0 H THR A 46 1.091 2.984 -4.404 1.00 0.00 H new ATOM 0 HA THR A 46 3.426 4.780 -4.432 1.00 0.00 H new ATOM 0 HB THR A 46 0.966 4.991 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.558 4.679 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.150 6.842 -7.351 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.848 7.223 -5.639 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.474 6.728 -6.167 1.00 0.00 H new ATOM 698 N TYR A 47 2.259 6.516 -3.069 1.00 0.00 N ATOM 699 CA TYR A 47 1.733 7.499 -2.113 1.00 0.00 C ATOM 700 C TYR A 47 2.308 8.893 -2.400 1.00 0.00 C ATOM 701 O TYR A 47 3.519 9.038 -2.570 1.00 0.00 O ATOM 702 CB TYR A 47 2.115 7.061 -0.692 1.00 0.00 C ATOM 703 CG TYR A 47 1.868 8.086 0.404 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.573 8.588 0.640 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.949 8.553 1.180 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.359 9.565 1.633 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.740 9.529 2.174 1.00 0.00 C ATOM 708 CZ TYR A 47 1.443 10.038 2.403 1.00 0.00 C ATOM 709 OH TYR A 47 1.239 10.977 3.364 1.00 0.00 O ATOM 0 H TYR A 47 3.232 6.703 -3.312 1.00 0.00 H new ATOM 0 HA TYR A 47 0.649 7.550 -2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.559 6.156 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.173 6.797 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.260 8.222 0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.941 8.161 1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.635 9.952 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.572 9.888 2.761 1.00 0.00 H new ATOM 0 HH TYR A 47 0.302 10.954 3.650 1.00 0.00 H new ATOM 719 N LYS A 48 1.453 9.925 -2.453 1.00 0.00 N ATOM 720 CA LYS A 48 1.842 11.342 -2.638 1.00 0.00 C ATOM 721 C LYS A 48 2.801 11.576 -3.828 1.00 0.00 C ATOM 722 O LYS A 48 3.749 12.362 -3.741 1.00 0.00 O ATOM 723 CB LYS A 48 2.363 11.894 -1.293 1.00 0.00 C ATOM 724 CG LYS A 48 2.178 13.417 -1.176 1.00 0.00 C ATOM 725 CD LYS A 48 2.866 14.010 0.061 1.00 0.00 C ATOM 726 CE LYS A 48 4.395 14.003 -0.090 1.00 0.00 C ATOM 727 NZ LYS A 48 5.063 14.670 1.059 1.00 0.00 N ATOM 0 H LYS A 48 0.444 9.800 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 48 0.958 11.912 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.839 11.403 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.420 11.649 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.576 13.896 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.113 13.647 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.519 15.031 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.584 13.439 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.748 12.975 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.672 14.508 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.094 14.646 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.744 15.658 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.819 14.173 1.939 1.00 0.00 H new ATOM 741 N GLY A 49 2.599 10.846 -4.930 1.00 0.00 N ATOM 742 CA GLY A 49 3.437 10.904 -6.140 1.00 0.00 C ATOM 743 C GLY A 49 4.818 10.229 -6.032 1.00 0.00 C ATOM 744 O GLY A 49 5.697 10.514 -6.848 1.00 0.00 O ATOM 0 H GLY A 49 1.830 10.181 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.890 10.440 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.585 11.950 -6.407 1.00 0.00 H new ATOM 748 N ARG A 50 5.028 9.358 -5.033 1.00 0.00 N ATOM 749 CA ARG A 50 6.300 8.681 -4.705 1.00 0.00 C ATOM 750 C ARG A 50 6.117 7.196 -4.377 1.00 0.00 C ATOM 751 O ARG A 50 5.063 6.769 -3.901 1.00 0.00 O ATOM 752 CB ARG A 50 6.964 9.416 -3.519 1.00 0.00 C ATOM 753 CG ARG A 50 8.020 10.447 -3.960 1.00 0.00 C ATOM 754 CD ARG A 50 7.916 11.751 -3.163 1.00 0.00 C ATOM 755 NE ARG A 50 6.773 12.561 -3.632 1.00 0.00 N ATOM 756 CZ ARG A 50 6.787 13.481 -4.582 1.00 0.00 C ATOM 757 NH1 ARG A 50 7.880 13.855 -5.187 1.00 0.00 N ATOM 758 NH2 ARG A 50 5.673 14.040 -4.944 1.00 0.00 N ATOM 0 H ARG A 50 4.278 9.090 -4.396 1.00 0.00 H new ATOM 0 HA ARG A 50 6.939 8.722 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.194 9.921 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.433 8.683 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.016 10.023 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.897 10.660 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.798 11.526 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.839 12.321 -3.267 1.00 0.00 H new ATOM 0 HE ARG A 50 5.877 12.393 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.773 13.433 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.842 14.569 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.797 13.769 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.673 14.751 -5.676 1.00 0.00 H new ATOM 772 N ALA A 51 7.176 6.418 -4.595 1.00 0.00 N ATOM 773 CA ALA A 51 7.307 5.059 -4.076 1.00 0.00 C ATOM 774 C ALA A 51 7.780 5.084 -2.610 1.00 0.00 C ATOM 775 O ALA A 51 8.784 5.724 -2.283 1.00 0.00 O ATOM 776 CB ALA A 51 8.287 4.284 -4.969 1.00 0.00 C ATOM 0 H ALA A 51 7.980 6.720 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 51 6.339 4.559 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.395 3.267 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.905 4.255 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.258 4.779 -4.959 1.00 0.00 H new ATOM 782 N LEU A 52 7.078 4.366 -1.731 1.00 0.00 N ATOM 783 CA LEU A 52 7.514 4.099 -0.355 1.00 0.00 C ATOM 784 C LEU A 52 8.463 2.886 -0.323 1.00 0.00 C ATOM 785 O LEU A 52 8.153 1.841 -0.899 1.00 0.00 O ATOM 786 CB LEU A 52 6.310 3.952 0.608 1.00 0.00 C ATOM 787 CG LEU A 52 5.077 3.165 0.103 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.332 2.511 1.268 1.00 0.00 C ATOM 789 CD2 LEU A 52 4.057 4.091 -0.568 1.00 0.00 C ATOM 0 H LEU A 52 6.176 3.946 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 52 8.077 4.959 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.666 3.470 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.979 4.953 0.886 1.00 0.00 H new ATOM 0 HG LEU A 52 5.461 2.425 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.470 1.964 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.999 1.822 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.996 3.281 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.204 3.505 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.719 4.840 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.522 4.588 -1.420 1.00 0.00 H new ATOM 801 N LYS A 53 9.618 3.029 0.344 1.00 0.00 N ATOM 802 CA LYS A 53 10.624 1.969 0.554 1.00 0.00 C ATOM 803 C LYS A 53 11.587 2.321 1.696 1.00 0.00 C ATOM 804 O LYS A 53 11.992 3.476 1.825 1.00 0.00 O ATOM 805 CB LYS A 53 11.425 1.733 -0.749 1.00 0.00 C ATOM 806 CG LYS A 53 11.919 0.280 -0.888 1.00 0.00 C ATOM 807 CD LYS A 53 10.829 -0.700 -1.366 1.00 0.00 C ATOM 808 CE LYS A 53 10.420 -0.500 -2.837 1.00 0.00 C ATOM 809 NZ LYS A 53 11.502 -0.892 -3.782 1.00 0.00 N ATOM 0 H LYS A 53 9.890 3.916 0.768 1.00 0.00 H new ATOM 0 HA LYS A 53 10.093 1.058 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.799 1.983 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.281 2.407 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.752 0.254 -1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.303 -0.058 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.187 -1.721 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.948 -0.586 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.527 -1.088 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.159 0.546 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.158 -0.804 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.323 -0.269 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.781 -1.877 -3.600 1.00 0.00 H new ATOM 823 N ASP A 54 11.976 1.324 2.495 1.00 0.00 N ATOM 824 CA ASP A 54 13.012 1.416 3.545 1.00 0.00 C ATOM 825 C ASP A 54 12.775 2.507 4.623 1.00 0.00 C ATOM 826 O ASP A 54 13.716 3.019 5.236 1.00 0.00 O ATOM 827 CB ASP A 54 14.404 1.490 2.881 1.00 0.00 C ATOM 828 CG ASP A 54 15.579 1.130 3.813 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.404 0.324 4.760 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.711 1.611 3.559 1.00 0.00 O ATOM 0 H ASP A 54 11.567 0.392 2.431 1.00 0.00 H new ATOM 0 HA ASP A 54 12.949 0.503 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.419 0.818 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.557 2.499 2.499 1.00 0.00 H new ATOM 835 N THR A 55 11.513 2.897 4.851 1.00 0.00 N ATOM 836 CA THR A 55 11.124 3.976 5.788 1.00 0.00 C ATOM 837 C THR A 55 11.029 3.506 7.248 1.00 0.00 C ATOM 838 O THR A 55 11.015 4.329 8.162 1.00 0.00 O ATOM 839 CB THR A 55 9.788 4.620 5.367 1.00 0.00 C ATOM 840 OG1 THR A 55 8.714 3.721 5.541 1.00 0.00 O ATOM 841 CG2 THR A 55 9.768 5.030 3.892 1.00 0.00 C ATOM 0 H THR A 55 10.715 2.467 4.384 1.00 0.00 H new ATOM 0 HA THR A 55 11.923 4.716 5.735 1.00 0.00 H new ATOM 0 HB THR A 55 9.684 5.500 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.878 4.154 5.269 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.804 5.477 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.561 5.754 3.705 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.925 4.150 3.268 1.00 0.00 H new ATOM 849 N GLU A 56 10.971 2.187 7.465 1.00 0.00 N ATOM 850 CA GLU A 56 10.717 1.469 8.728 1.00 0.00 C ATOM 851 C GLU A 56 9.330 1.727 9.359 1.00 0.00 C ATOM 852 O GLU A 56 8.568 0.779 9.551 1.00 0.00 O ATOM 853 CB GLU A 56 11.877 1.680 9.724 1.00 0.00 C ATOM 854 CG GLU A 56 12.158 0.430 10.568 1.00 0.00 C ATOM 855 CD GLU A 56 12.950 -0.626 9.769 1.00 0.00 C ATOM 856 OE1 GLU A 56 14.186 -0.474 9.613 1.00 0.00 O ATOM 857 OE2 GLU A 56 12.345 -1.619 9.297 1.00 0.00 O ATOM 0 H GLU A 56 11.113 1.533 6.695 1.00 0.00 H new ATOM 0 HA GLU A 56 10.682 0.412 8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.778 1.955 9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.639 2.514 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.720 0.710 11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.216 -0.000 10.907 1.00 0.00 H new ATOM 864 N THR A 57 8.973 2.986 9.627 1.00 0.00 N ATOM 865 CA THR A 57 7.676 3.430 10.180 1.00 0.00 C ATOM 866 C THR A 57 7.297 4.828 9.677 1.00 0.00 C ATOM 867 O THR A 57 8.162 5.680 9.468 1.00 0.00 O ATOM 868 CB THR A 57 7.657 3.442 11.724 1.00 0.00 C ATOM 869 OG1 THR A 57 8.782 4.102 12.275 1.00 0.00 O ATOM 870 CG2 THR A 57 7.611 2.044 12.341 1.00 0.00 C ATOM 0 H THR A 57 9.607 3.767 9.458 1.00 0.00 H new ATOM 0 HA THR A 57 6.947 2.700 9.829 1.00 0.00 H new ATOM 0 HB THR A 57 6.741 3.980 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.724 4.085 13.253 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.600 2.126 13.428 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.711 1.528 12.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.490 1.479 12.029 1.00 0.00 H new ATOM 878 N LEU A 58 5.994 5.098 9.523 1.00 0.00 N ATOM 879 CA LEU A 58 5.479 6.387 9.025 1.00 0.00 C ATOM 880 C LEU A 58 5.808 7.568 9.959 1.00 0.00 C ATOM 881 O LEU A 58 5.932 8.700 9.493 1.00 0.00 O ATOM 882 CB LEU A 58 3.953 6.292 8.796 1.00 0.00 C ATOM 883 CG LEU A 58 3.456 5.574 7.523 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.931 6.270 6.245 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.846 4.097 7.445 1.00 0.00 C ATOM 0 H LEU A 58 5.259 4.425 9.741 1.00 0.00 H new ATOM 0 HA LEU A 58 5.983 6.588 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.517 5.786 9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.553 7.306 8.786 1.00 0.00 H new ATOM 0 HG LEU A 58 2.370 5.630 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.557 5.729 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.554 7.293 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.021 6.284 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.459 3.667 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.932 4.006 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.425 3.564 8.298 1.00 0.00 H new ATOM 897 N GLU A 59 6.012 7.331 11.258 1.00 0.00 N ATOM 898 CA GLU A 59 6.397 8.369 12.230 1.00 0.00 C ATOM 899 C GLU A 59 7.758 9.020 11.912 1.00 0.00 C ATOM 900 O GLU A 59 7.949 10.206 12.187 1.00 0.00 O ATOM 901 CB GLU A 59 6.331 7.769 13.645 1.00 0.00 C ATOM 902 CG GLU A 59 6.421 8.804 14.784 1.00 0.00 C ATOM 903 CD GLU A 59 7.849 9.243 15.180 1.00 0.00 C ATOM 904 OE1 GLU A 59 8.818 8.458 15.032 1.00 0.00 O ATOM 905 OE2 GLU A 59 8.002 10.374 15.707 1.00 0.00 O ATOM 0 H GLU A 59 5.914 6.404 11.673 1.00 0.00 H new ATOM 0 HA GLU A 59 5.687 9.194 12.164 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.398 7.215 13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.143 7.050 13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.857 9.689 14.491 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.930 8.391 15.665 1.00 0.00 H new ATOM 912 N SER A 60 8.664 8.298 11.239 1.00 0.00 N ATOM 913 CA SER A 60 9.944 8.834 10.741 1.00 0.00 C ATOM 914 C SER A 60 9.772 9.838 9.588 1.00 0.00 C ATOM 915 O SER A 60 10.640 10.688 9.379 1.00 0.00 O ATOM 916 CB SER A 60 10.851 7.686 10.276 1.00 0.00 C ATOM 917 OG SER A 60 11.061 6.743 11.319 1.00 0.00 O ATOM 0 H SER A 60 8.529 7.311 11.021 1.00 0.00 H new ATOM 0 HA SER A 60 10.398 9.369 11.575 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.401 7.188 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.809 8.087 9.946 1.00 0.00 H new ATOM 0 HG SER A 60 11.640 6.022 10.996 1.00 0.00 H new ATOM 923 N LEU A 61 8.655 9.764 8.849 1.00 0.00 N ATOM 924 CA LEU A 61 8.261 10.726 7.806 1.00 0.00 C ATOM 925 C LEU A 61 7.336 11.840 8.341 1.00 0.00 C ATOM 926 O LEU A 61 7.243 12.914 7.741 1.00 0.00 O ATOM 927 CB LEU A 61 7.540 9.979 6.666 1.00 0.00 C ATOM 928 CG LEU A 61 8.218 8.704 6.131 1.00 0.00 C ATOM 929 CD1 LEU A 61 7.379 8.156 4.977 1.00 0.00 C ATOM 930 CD2 LEU A 61 9.640 8.952 5.621 1.00 0.00 C ATOM 0 H LEU A 61 7.979 9.009 8.964 1.00 0.00 H new ATOM 0 HA LEU A 61 9.174 11.201 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.542 9.712 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.414 10.671 5.833 1.00 0.00 H new ATOM 0 HG LEU A 61 8.285 7.998 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.845 7.252 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.377 7.922 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.316 8.903 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.064 8.016 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.614 9.678 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.256 9.338 6.433 1.00 0.00 H new ATOM 942 N GLY A 62 6.645 11.573 9.454 1.00 0.00 N ATOM 943 CA GLY A 62 5.535 12.358 9.999 1.00 0.00 C ATOM 944 C GLY A 62 4.179 11.778 9.574 1.00 0.00 C ATOM 945 O GLY A 62 3.829 11.786 8.391 1.00 0.00 O ATOM 0 H GLY A 62 6.858 10.758 10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.600 12.377 11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.615 13.390 9.657 1.00 0.00 H new ATOM 949 N VAL A 63 3.410 11.271 10.546 1.00 0.00 N ATOM 950 CA VAL A 63 2.061 10.703 10.342 1.00 0.00 C ATOM 951 C VAL A 63 1.029 11.804 10.057 1.00 0.00 C ATOM 952 O VAL A 63 1.062 12.874 10.672 1.00 0.00 O ATOM 953 CB VAL A 63 1.639 9.842 11.558 1.00 0.00 C ATOM 954 CG1 VAL A 63 0.173 9.383 11.534 1.00 0.00 C ATOM 955 CG2 VAL A 63 2.495 8.571 11.642 1.00 0.00 C ATOM 0 H VAL A 63 3.711 11.241 11.520 1.00 0.00 H new ATOM 0 HA VAL A 63 2.099 10.055 9.466 1.00 0.00 H new ATOM 0 HB VAL A 63 1.782 10.499 12.416 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.036 8.786 12.422 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.481 10.255 11.520 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.005 8.782 10.643 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.184 7.979 12.503 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.366 7.985 10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.544 8.846 11.751 1.00 0.00 H new ATOM 965 N ALA A 64 0.074 11.510 9.173 1.00 0.00 N ATOM 966 CA ALA A 64 -1.136 12.301 8.931 1.00 0.00 C ATOM 967 C ALA A 64 -2.357 11.375 8.756 1.00 0.00 C ATOM 968 O ALA A 64 -2.240 10.259 8.242 1.00 0.00 O ATOM 969 CB ALA A 64 -0.915 13.211 7.717 1.00 0.00 C ATOM 0 H ALA A 64 0.124 10.681 8.581 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.343 12.937 9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.814 13.800 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.076 13.879 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.698 12.601 6.840 1.00 0.00 H new ATOM 975 N ASP A 65 -3.538 11.813 9.203 1.00 0.00 N ATOM 976 CA ASP A 65 -4.772 11.022 9.088 1.00 0.00 C ATOM 977 C ASP A 65 -5.374 11.075 7.670 1.00 0.00 C ATOM 978 O ASP A 65 -5.285 12.098 6.984 1.00 0.00 O ATOM 979 CB ASP A 65 -5.796 11.478 10.141 1.00 0.00 C ATOM 980 CG ASP A 65 -6.895 10.429 10.379 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.579 9.214 10.330 1.00 0.00 O ATOM 982 OD2 ASP A 65 -8.052 10.816 10.661 1.00 0.00 O ATOM 0 H ASP A 65 -3.668 12.719 9.652 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.512 9.980 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.282 11.682 11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.253 12.413 9.819 1.00 0.00 H new ATOM 987 N GLY A 66 -6.017 9.988 7.231 1.00 0.00 N ATOM 988 CA GLY A 66 -6.678 9.914 5.923 1.00 0.00 C ATOM 989 C GLY A 66 -5.729 9.775 4.721 1.00 0.00 C ATOM 990 O GLY A 66 -6.120 10.108 3.599 1.00 0.00 O ATOM 0 H GLY A 66 -6.094 9.129 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.362 9.066 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.283 10.811 5.787 1.00 0.00 H new ATOM 994 N ASP A 67 -4.495 9.297 4.927 1.00 0.00 N ATOM 995 CA ASP A 67 -3.578 8.922 3.836 1.00 0.00 C ATOM 996 C ASP A 67 -4.209 7.862 2.914 1.00 0.00 C ATOM 997 O ASP A 67 -4.858 6.920 3.382 1.00 0.00 O ATOM 998 CB ASP A 67 -2.237 8.397 4.388 1.00 0.00 C ATOM 999 CG ASP A 67 -1.292 9.471 4.953 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.364 10.650 4.528 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.404 9.109 5.761 1.00 0.00 O ATOM 0 H ASP A 67 -4.101 9.158 5.857 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.389 9.824 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.446 7.671 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.719 7.864 3.591 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.998 7.992 1.598 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.454 7.018 0.595 1.00 0.00 C ATOM 1008 C LYS A 68 -3.297 6.452 -0.225 1.00 0.00 C ATOM 1009 O LYS A 68 -2.402 7.187 -0.643 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.610 7.577 -0.255 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.220 8.739 -1.183 1.00 0.00 C ATOM 1012 CD LYS A 68 -6.434 9.219 -1.989 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.023 10.356 -2.932 1.00 0.00 C ATOM 1014 NZ LYS A 68 -7.168 10.824 -3.755 1.00 0.00 N ATOM 0 H LYS A 68 -3.500 8.785 1.194 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.869 6.162 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.022 6.769 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.404 7.913 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.820 9.564 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.429 8.419 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.849 8.391 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.217 9.562 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.629 11.188 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.220 10.015 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.854 11.593 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.528 10.035 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.924 11.172 -3.132 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.325 5.142 -0.450 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.286 4.377 -1.138 1.00 0.00 C ATOM 1030 C PHE A 69 -2.871 3.723 -2.393 1.00 0.00 C ATOM 1031 O PHE A 69 -3.832 2.956 -2.307 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.693 3.327 -0.180 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.256 3.818 1.196 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.586 5.048 1.351 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.510 3.026 2.332 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.183 5.485 2.626 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -1.111 3.463 3.609 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.448 4.694 3.756 1.00 0.00 C ATOM 0 H PHE A 69 -4.104 4.558 -0.146 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.481 5.043 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.433 2.539 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.831 2.872 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.380 5.659 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.014 2.077 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.330 6.429 2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.314 2.852 4.476 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.143 5.031 4.736 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.305 4.023 -3.562 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.718 3.419 -4.839 1.00 0.00 C ATOM 1050 C VAL A 70 -1.873 2.177 -5.110 1.00 0.00 C ATOM 1051 O VAL A 70 -0.642 2.240 -5.027 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.642 4.430 -6.001 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.123 3.807 -7.318 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.516 5.661 -5.723 1.00 0.00 C ATOM 0 H VAL A 70 -1.543 4.695 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.764 3.120 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.595 4.722 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.056 4.546 -8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.497 2.949 -7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.158 3.482 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.442 6.356 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.553 5.350 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.174 6.152 -4.812 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.524 1.061 -5.445 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.868 -0.207 -5.771 1.00 0.00 C ATOM 1066 C LEU A 71 -2.223 -0.657 -7.197 1.00 0.00 C ATOM 1067 O LEU A 71 -3.396 -0.814 -7.535 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.201 -1.257 -4.700 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.398 -2.560 -4.899 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -0.302 -2.661 -3.841 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.308 -3.784 -4.812 1.00 0.00 C ATOM 0 H LEU A 71 -3.541 1.012 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.786 -0.074 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.989 -0.848 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.267 -1.480 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.948 -2.534 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.261 -3.583 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.370 -1.807 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.753 -2.665 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.716 -4.688 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.785 -3.814 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.073 -3.724 -5.586 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.201 -0.870 -8.027 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.316 -1.151 -9.464 1.00 0.00 C ATOM 1085 C ILE A 72 -0.850 -2.583 -9.758 1.00 0.00 C ATOM 1086 O ILE A 72 0.248 -2.974 -9.355 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.530 -0.104 -10.292 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.903 1.360 -9.946 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.757 -0.338 -11.798 1.00 0.00 C ATOM 1090 CD1 ILE A 72 0.026 1.996 -8.899 1.00 0.00 C ATOM 0 H ILE A 72 -0.233 -0.851 -7.707 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.362 -1.073 -9.761 1.00 0.00 H new ATOM 0 HB ILE A 72 0.520 -0.241 -10.034 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.876 1.959 -10.856 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.928 1.388 -9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.200 0.404 -12.370 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.413 -1.337 -12.067 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.819 -0.247 -12.024 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.292 3.020 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.019 1.420 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.049 1.999 -9.275 1.00 0.00 H new ATOM 1102 N THR A 73 -1.667 -3.358 -10.475 1.00 0.00 N ATOM 1103 CA THR A 73 -1.334 -4.720 -10.940 1.00 0.00 C ATOM 1104 C THR A 73 -0.764 -4.712 -12.366 1.00 0.00 C ATOM 1105 O THR A 73 -1.165 -3.890 -13.199 1.00 0.00 O ATOM 1106 CB THR A 73 -2.552 -5.655 -10.814 1.00 0.00 C ATOM 1107 OG1 THR A 73 -2.160 -6.993 -11.033 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.687 -5.342 -11.795 1.00 0.00 C ATOM 0 H THR A 73 -2.599 -3.056 -10.758 1.00 0.00 H new ATOM 0 HA THR A 73 -0.549 -5.110 -10.292 1.00 0.00 H new ATOM 0 HB THR A 73 -2.929 -5.497 -9.804 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.940 -7.580 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.505 -6.045 -11.641 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.045 -4.326 -11.626 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.319 -5.432 -12.817 1.00 0.00 H new ATOM 1116 N ARG A 74 0.174 -5.618 -12.669 1.00 0.00 N ATOM 1117 CA ARG A 74 0.697 -5.861 -14.026 1.00 0.00 C ATOM 1118 C ARG A 74 -0.214 -6.837 -14.791 1.00 0.00 C ATOM 1119 O ARG A 74 -0.520 -7.916 -14.279 1.00 0.00 O ATOM 1120 CB ARG A 74 2.141 -6.394 -13.930 1.00 0.00 C ATOM 1121 CG ARG A 74 2.969 -6.175 -15.210 1.00 0.00 C ATOM 1122 CD ARG A 74 3.864 -4.927 -15.136 1.00 0.00 C ATOM 1123 NE ARG A 74 3.102 -3.679 -14.913 1.00 0.00 N ATOM 1124 CZ ARG A 74 2.738 -2.783 -15.814 1.00 0.00 C ATOM 1125 NH1 ARG A 74 2.974 -2.934 -17.086 1.00 0.00 N ATOM 1126 NH2 ARG A 74 2.118 -1.700 -15.445 1.00 0.00 N ATOM 0 H ARG A 74 0.602 -6.218 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 74 0.709 -4.925 -14.584 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.644 -5.906 -13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.111 -7.460 -13.705 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.591 -7.052 -15.389 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.295 -6.083 -16.062 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.587 -5.053 -14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.431 -4.839 -16.062 1.00 0.00 H new ATOM 0 HE ARG A 74 2.825 -3.487 -13.950 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.457 -3.768 -17.420 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.676 -2.218 -17.749 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.912 -1.541 -14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.838 -1.010 -16.142 1.00 0.00 H new ATOM 1140 N THR A 75 -0.600 -6.485 -16.022 1.00 0.00 N ATOM 1141 CA THR A 75 -1.520 -7.290 -16.862 1.00 0.00 C ATOM 1142 C THR A 75 -0.974 -7.532 -18.275 1.00 0.00 C ATOM 1143 O THR A 75 -0.911 -8.680 -18.720 1.00 0.00 O ATOM 1144 CB THR A 75 -2.922 -6.649 -16.921 1.00 0.00 C ATOM 1145 OG1 THR A 75 -3.447 -6.506 -15.617 1.00 0.00 O ATOM 1146 CG2 THR A 75 -3.931 -7.483 -17.717 1.00 0.00 C ATOM 0 H THR A 75 -0.285 -5.627 -16.476 1.00 0.00 H new ATOM 0 HA THR A 75 -1.602 -8.266 -16.383 1.00 0.00 H new ATOM 0 HB THR A 75 -2.786 -5.687 -17.416 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.336 -6.097 -15.665 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.897 -6.978 -17.721 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.578 -7.600 -18.742 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.036 -8.465 -17.255 1.00 0.00 H new ATOM 1154 N VAL A 76 -0.548 -6.476 -18.981 1.00 0.00 N ATOM 1155 CA VAL A 76 0.071 -6.578 -20.318 1.00 0.00 C ATOM 1156 C VAL A 76 1.502 -7.126 -20.198 1.00 0.00 C ATOM 1157 O VAL A 76 2.297 -6.619 -19.399 1.00 0.00 O ATOM 1158 CB VAL A 76 0.037 -5.222 -21.059 1.00 0.00 C ATOM 1159 CG1 VAL A 76 0.680 -5.308 -22.451 1.00 0.00 C ATOM 1160 CG2 VAL A 76 -1.408 -4.736 -21.248 1.00 0.00 C ATOM 0 H VAL A 76 -0.622 -5.517 -18.641 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.511 -7.279 -20.917 1.00 0.00 H new ATOM 0 HB VAL A 76 0.601 -4.526 -20.438 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.633 -4.332 -22.934 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.721 -5.615 -22.352 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.142 -6.038 -23.056 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.405 -3.780 -21.772 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.965 -5.468 -21.833 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.881 -4.614 -20.274 1.00 0.00 H new ATOM 1170 N GLY A 77 1.829 -8.152 -20.995 1.00 0.00 N ATOM 1171 CA GLY A 77 3.122 -8.861 -21.010 1.00 0.00 C ATOM 1172 C GLY A 77 2.961 -10.369 -20.818 1.00 0.00 C ATOM 1173 O GLY A 77 2.362 -11.016 -21.706 1.00 0.00 O ATOM 1174 OXT GLY A 77 3.431 -10.892 -19.785 1.00 0.00 O ATOM 0 H GLY A 77 1.173 -8.530 -21.678 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.627 -8.670 -21.957 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.761 -8.463 -20.222 1.00 0.00 H new TER 1178 GLY A 77