USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 594 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc=-3.04e-05 (180deg=-0.0594) USER MOD Single : A 5 SER OG : rot 11:sc= 0.378 USER MOD Single : A 7 THR OG1 : rot 160:sc= -0.247 USER MOD Single : A 11 THR OG1 : rot -151:sc= -8.21! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc=-0.000201 USER MOD Single : A 17 SER OG : rot -133:sc= -0.215 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -1.79! (180deg=-2.26!) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0356) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.51 K(o=-2.5,f=-1.2) USER MOD Single : A 43 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.066) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -0.148 (180deg=-0.912) USER MOD Single : A 52 SER OG : rot 74:sc= 0.452! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc=-0.00261 (180deg=-0.0955) USER MOD Single : A 58 THR OG1 : rot 71:sc= -4.73! USER MOD Single : A 61 GLN : amide:sc= -0.901 K(o=-0.9,f=-1.5!) USER MOD Single : A 62 THR OG1 : rot -99:sc= -2.7! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 25:sc= 0.273 USER MOD Single : A 70 SER OG : rot -169:sc= 1.1 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.193 2.315 13.456 1.00 0.00 N ATOM 2 CA MET A 1 4.408 1.793 12.769 1.00 0.00 C ATOM 3 C MET A 1 4.471 0.273 12.930 1.00 0.00 C ATOM 4 O MET A 1 4.218 -0.260 13.992 1.00 0.00 O ATOM 5 CB MET A 1 5.657 2.424 13.391 1.00 0.00 C ATOM 6 CG MET A 1 5.808 3.860 12.888 1.00 0.00 C ATOM 7 SD MET A 1 6.397 4.914 14.238 1.00 0.00 S ATOM 8 CE MET A 1 8.084 5.145 13.627 1.00 0.00 C ATOM 0 H1 MET A 1 2.508 2.646 12.747 1.00 0.00 H new ATOM 0 H2 MET A 1 2.763 1.558 14.025 1.00 0.00 H new ATOM 0 H3 MET A 1 3.458 3.106 14.077 1.00 0.00 H new ATOM 0 HA MET A 1 4.363 2.045 11.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.579 2.415 14.478 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.540 1.841 13.130 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.509 3.893 12.054 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.852 4.228 12.515 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.639 5.778 14.320 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.577 4.176 13.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.054 5.620 12.647 1.00 0.00 H new ATOM 20 N ALA A 2 4.807 -0.430 11.883 1.00 0.00 N ATOM 21 CA ALA A 2 4.886 -1.915 11.977 1.00 0.00 C ATOM 22 C ALA A 2 6.264 -2.380 11.504 1.00 0.00 C ATOM 23 O ALA A 2 7.020 -2.971 12.249 1.00 0.00 O ATOM 24 CB ALA A 2 3.805 -2.540 11.092 1.00 0.00 C ATOM 0 H ALA A 2 5.030 -0.040 10.967 1.00 0.00 H new ATOM 0 HA ALA A 2 4.732 -2.224 13.011 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.862 -3.626 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.823 -2.207 11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.959 -2.233 10.058 1.00 0.00 H new ATOM 30 N GLY A 3 6.596 -2.116 10.270 1.00 0.00 N ATOM 31 CA GLY A 3 7.925 -2.541 9.749 1.00 0.00 C ATOM 32 C GLY A 3 8.921 -1.391 9.907 1.00 0.00 C ATOM 33 O GLY A 3 8.580 -0.340 10.411 1.00 0.00 O ATOM 0 H GLY A 3 6.004 -1.624 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.277 -3.419 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.843 -2.825 8.700 1.00 0.00 H new ATOM 37 N PRO A 4 10.125 -1.633 9.469 1.00 0.00 N ATOM 38 CA PRO A 4 11.151 -0.576 9.585 1.00 0.00 C ATOM 39 C PRO A 4 11.435 0.057 8.219 1.00 0.00 C ATOM 40 O PRO A 4 12.356 0.835 8.070 1.00 0.00 O ATOM 41 CB PRO A 4 12.391 -1.301 10.111 1.00 0.00 C ATOM 42 CG PRO A 4 12.213 -2.785 9.740 1.00 0.00 C ATOM 43 CD PRO A 4 10.710 -2.996 9.488 1.00 0.00 C ATOM 0 HA PRO A 4 10.835 0.236 10.240 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.298 -0.894 9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.485 -1.178 11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.794 -3.035 8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.566 -3.431 10.544 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.538 -3.512 8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.261 -3.607 10.271 1.00 0.00 H new ATOM 51 N SER A 5 10.658 -0.266 7.218 1.00 0.00 N ATOM 52 CA SER A 5 10.911 0.332 5.876 1.00 0.00 C ATOM 53 C SER A 5 9.596 0.511 5.109 1.00 0.00 C ATOM 54 O SER A 5 8.906 1.491 5.283 1.00 0.00 O ATOM 55 CB SER A 5 11.849 -0.574 5.081 1.00 0.00 C ATOM 56 OG SER A 5 13.186 -0.364 5.516 1.00 0.00 O ATOM 0 H SER A 5 9.869 -0.910 7.271 1.00 0.00 H new ATOM 0 HA SER A 5 11.372 1.310 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.569 -1.618 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.763 -0.360 4.016 1.00 0.00 H new ATOM 0 HG SER A 5 13.183 0.181 6.330 1.00 0.00 H new ATOM 62 N VAL A 6 9.265 -0.422 4.252 1.00 0.00 N ATOM 63 CA VAL A 6 8.013 -0.326 3.440 1.00 0.00 C ATOM 64 C VAL A 6 6.904 0.385 4.212 1.00 0.00 C ATOM 65 O VAL A 6 6.352 1.340 3.744 1.00 0.00 O ATOM 66 CB VAL A 6 7.587 -1.736 3.040 1.00 0.00 C ATOM 67 CG1 VAL A 6 6.796 -2.405 4.165 1.00 0.00 C ATOM 68 CG2 VAL A 6 6.727 -1.672 1.776 1.00 0.00 C ATOM 0 H VAL A 6 9.819 -1.260 4.078 1.00 0.00 H new ATOM 0 HA VAL A 6 8.204 0.268 2.546 1.00 0.00 H new ATOM 0 HB VAL A 6 8.482 -2.327 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.503 -3.409 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.416 -2.466 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.904 -1.817 4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.423 -2.679 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.841 -1.067 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.303 -1.224 0.966 1.00 0.00 H new ATOM 78 N THR A 7 6.567 -0.035 5.386 1.00 0.00 N ATOM 79 CA THR A 7 5.503 0.690 6.110 1.00 0.00 C ATOM 80 C THR A 7 5.858 2.181 6.090 1.00 0.00 C ATOM 81 O THR A 7 5.105 3.003 5.614 1.00 0.00 O ATOM 82 CB THR A 7 5.421 0.169 7.543 1.00 0.00 C ATOM 83 OG1 THR A 7 6.654 0.413 8.206 1.00 0.00 O ATOM 84 CG2 THR A 7 5.142 -1.337 7.509 1.00 0.00 C ATOM 0 H THR A 7 6.973 -0.835 5.871 1.00 0.00 H new ATOM 0 HA THR A 7 4.532 0.538 5.639 1.00 0.00 H new ATOM 0 HB THR A 7 4.620 0.678 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.515 0.385 9.176 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.082 -1.719 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.198 -1.521 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.948 -1.844 6.979 1.00 0.00 H new ATOM 92 N GLU A 8 7.021 2.530 6.566 1.00 0.00 N ATOM 93 CA GLU A 8 7.438 3.962 6.545 1.00 0.00 C ATOM 94 C GLU A 8 7.248 4.530 5.132 1.00 0.00 C ATOM 95 O GLU A 8 6.949 5.692 4.957 1.00 0.00 O ATOM 96 CB GLU A 8 8.913 4.063 6.942 1.00 0.00 C ATOM 97 CG GLU A 8 9.079 5.131 8.025 1.00 0.00 C ATOM 98 CD GLU A 8 8.805 6.512 7.427 1.00 0.00 C ATOM 99 OE1 GLU A 8 7.681 6.743 7.012 1.00 0.00 O ATOM 100 OE2 GLU A 8 9.722 7.315 7.395 1.00 0.00 O ATOM 0 H GLU A 8 7.702 1.886 6.969 1.00 0.00 H new ATOM 0 HA GLU A 8 6.830 4.531 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.268 3.100 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.518 4.316 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.393 4.938 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.088 5.094 8.435 1.00 0.00 H new ATOM 107 N LEU A 9 7.424 3.714 4.126 1.00 0.00 N ATOM 108 CA LEU A 9 7.256 4.188 2.718 1.00 0.00 C ATOM 109 C LEU A 9 5.775 4.119 2.330 1.00 0.00 C ATOM 110 O LEU A 9 5.109 5.121 2.176 1.00 0.00 O ATOM 111 CB LEU A 9 8.058 3.279 1.781 1.00 0.00 C ATOM 112 CG LEU A 9 9.325 2.790 2.485 1.00 0.00 C ATOM 113 CD1 LEU A 9 10.218 2.064 1.479 1.00 0.00 C ATOM 114 CD2 LEU A 9 10.079 3.987 3.065 1.00 0.00 C ATOM 0 H LEU A 9 7.679 2.731 4.219 1.00 0.00 H new ATOM 0 HA LEU A 9 7.611 5.215 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.449 2.428 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.323 3.821 0.873 1.00 0.00 H new ATOM 0 HG LEU A 9 9.054 2.107 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.121 1.715 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.680 1.211 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.490 2.747 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.982 3.640 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.351 4.670 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.442 4.506 3.782 1.00 0.00 H new ATOM 126 N ILE A 10 5.259 2.935 2.172 1.00 0.00 N ATOM 127 CA ILE A 10 3.839 2.771 1.808 1.00 0.00 C ATOM 128 C ILE A 10 2.999 3.503 2.847 1.00 0.00 C ATOM 129 O ILE A 10 2.310 4.460 2.558 1.00 0.00 O ATOM 130 CB ILE A 10 3.503 1.266 1.808 1.00 0.00 C ATOM 131 CG1 ILE A 10 3.490 0.760 0.373 1.00 0.00 C ATOM 132 CG2 ILE A 10 2.132 0.989 2.451 1.00 0.00 C ATOM 133 CD1 ILE A 10 3.156 -0.726 0.366 1.00 0.00 C ATOM 0 H ILE A 10 5.776 2.062 2.283 1.00 0.00 H new ATOM 0 HA ILE A 10 3.633 3.180 0.819 1.00 0.00 H new ATOM 0 HB ILE A 10 4.263 0.749 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.755 1.312 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.461 0.928 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.931 -0.082 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.137 1.339 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.356 1.514 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.146 -1.092 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.907 -1.271 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.175 -0.881 0.816 1.00 0.00 H new ATOM 145 N THR A 11 3.059 3.037 4.060 1.00 0.00 N ATOM 146 CA THR A 11 2.277 3.671 5.144 1.00 0.00 C ATOM 147 C THR A 11 2.500 5.186 5.115 1.00 0.00 C ATOM 148 O THR A 11 1.685 5.947 5.592 1.00 0.00 O ATOM 149 CB THR A 11 2.714 3.076 6.483 1.00 0.00 C ATOM 150 OG1 THR A 11 3.009 1.699 6.306 1.00 0.00 O ATOM 151 CG2 THR A 11 1.584 3.219 7.488 1.00 0.00 C ATOM 0 H THR A 11 3.623 2.236 4.346 1.00 0.00 H new ATOM 0 HA THR A 11 1.213 3.481 5.006 1.00 0.00 H new ATOM 0 HB THR A 11 3.598 3.600 6.847 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.839 1.218 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.892 2.796 8.444 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.345 4.274 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.704 2.690 7.123 1.00 0.00 H new ATOM 159 N LYS A 12 3.579 5.639 4.530 1.00 0.00 N ATOM 160 CA LYS A 12 3.807 7.110 4.447 1.00 0.00 C ATOM 161 C LYS A 12 2.839 7.664 3.395 1.00 0.00 C ATOM 162 O LYS A 12 2.131 8.623 3.629 1.00 0.00 O ATOM 163 CB LYS A 12 5.272 7.390 4.055 1.00 0.00 C ATOM 164 CG LYS A 12 5.373 8.629 3.158 1.00 0.00 C ATOM 165 CD LYS A 12 6.844 9.013 2.981 1.00 0.00 C ATOM 166 CE LYS A 12 7.561 7.933 2.169 1.00 0.00 C ATOM 167 NZ LYS A 12 8.722 8.537 1.456 1.00 0.00 N ATOM 0 H LYS A 12 4.305 5.059 4.110 1.00 0.00 H new ATOM 0 HA LYS A 12 3.627 7.592 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.871 7.537 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.685 6.525 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.920 8.426 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.821 9.458 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.921 9.975 2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.321 9.127 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.901 7.133 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.873 7.485 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.210 7.803 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.386 9.285 0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.381 8.944 2.149 1.00 0.00 H new ATOM 181 N ALA A 13 2.787 7.041 2.247 1.00 0.00 N ATOM 182 CA ALA A 13 1.845 7.499 1.188 1.00 0.00 C ATOM 183 C ALA A 13 0.417 7.207 1.655 1.00 0.00 C ATOM 184 O ALA A 13 -0.547 7.682 1.087 1.00 0.00 O ATOM 185 CB ALA A 13 2.124 6.734 -0.109 1.00 0.00 C ATOM 0 H ALA A 13 3.358 6.233 1.998 1.00 0.00 H new ATOM 0 HA ALA A 13 1.972 8.566 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.435 7.069 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.149 6.922 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.987 5.666 0.062 1.00 0.00 H new ATOM 191 N VAL A 14 0.289 6.425 2.695 1.00 0.00 N ATOM 192 CA VAL A 14 -1.053 6.076 3.237 1.00 0.00 C ATOM 193 C VAL A 14 -1.973 7.300 3.171 1.00 0.00 C ATOM 194 O VAL A 14 -3.153 7.190 2.903 1.00 0.00 O ATOM 195 CB VAL A 14 -0.875 5.622 4.690 1.00 0.00 C ATOM 196 CG1 VAL A 14 -0.705 6.843 5.599 1.00 0.00 C ATOM 197 CG2 VAL A 14 -2.097 4.824 5.140 1.00 0.00 C ATOM 0 H VAL A 14 1.072 6.008 3.198 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.506 5.277 2.650 1.00 0.00 H new ATOM 0 HB VAL A 14 0.013 4.993 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.579 6.514 6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.174 7.408 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.589 7.477 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.963 4.505 6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.987 5.449 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.214 3.948 4.502 1.00 0.00 H new ATOM 207 N SER A 15 -1.438 8.465 3.413 1.00 0.00 N ATOM 208 CA SER A 15 -2.276 9.697 3.365 1.00 0.00 C ATOM 209 C SER A 15 -1.836 10.570 2.186 1.00 0.00 C ATOM 210 O SER A 15 -2.531 11.483 1.786 1.00 0.00 O ATOM 211 CB SER A 15 -2.107 10.478 4.668 1.00 0.00 C ATOM 212 OG SER A 15 -2.717 11.754 4.532 1.00 0.00 O ATOM 0 H SER A 15 -0.456 8.617 3.642 1.00 0.00 H new ATOM 0 HA SER A 15 -3.323 9.419 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.561 9.931 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.049 10.591 4.903 1.00 0.00 H new ATOM 0 HG SER A 15 -2.612 12.257 5.366 1.00 0.00 H new ATOM 218 N ALA A 16 -0.688 10.298 1.627 1.00 0.00 N ATOM 219 CA ALA A 16 -0.207 11.115 0.477 1.00 0.00 C ATOM 220 C ALA A 16 -0.611 10.439 -0.835 1.00 0.00 C ATOM 221 O ALA A 16 -0.036 10.689 -1.875 1.00 0.00 O ATOM 222 CB ALA A 16 1.317 11.237 0.539 1.00 0.00 C ATOM 0 H ALA A 16 -0.063 9.546 1.917 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.654 12.108 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.669 11.834 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.606 11.720 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.764 10.244 0.491 1.00 0.00 H new ATOM 228 N SER A 17 -1.596 9.584 -0.794 1.00 0.00 N ATOM 229 CA SER A 17 -2.034 8.893 -2.040 1.00 0.00 C ATOM 230 C SER A 17 -2.105 9.905 -3.187 1.00 0.00 C ATOM 231 O SER A 17 -2.053 11.100 -2.976 1.00 0.00 O ATOM 232 CB SER A 17 -3.414 8.273 -1.819 1.00 0.00 C ATOM 233 OG SER A 17 -4.065 8.116 -3.073 1.00 0.00 O ATOM 0 H SER A 17 -2.116 9.334 0.047 1.00 0.00 H new ATOM 0 HA SER A 17 -1.320 8.109 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.316 7.307 -1.324 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.010 8.908 -1.164 1.00 0.00 H new ATOM 0 HG SER A 17 -4.984 8.449 -3.008 1.00 0.00 H new ATOM 239 N LYS A 18 -2.221 9.436 -4.399 1.00 0.00 N ATOM 240 CA LYS A 18 -2.293 10.372 -5.557 1.00 0.00 C ATOM 241 C LYS A 18 -3.591 10.133 -6.331 1.00 0.00 C ATOM 242 O LYS A 18 -3.675 10.393 -7.515 1.00 0.00 O ATOM 243 CB LYS A 18 -1.098 10.130 -6.482 1.00 0.00 C ATOM 244 CG LYS A 18 -0.527 11.473 -6.940 1.00 0.00 C ATOM 245 CD LYS A 18 0.843 11.252 -7.585 1.00 0.00 C ATOM 246 CE LYS A 18 0.744 10.138 -8.628 1.00 0.00 C ATOM 247 NZ LYS A 18 1.760 10.364 -9.695 1.00 0.00 N ATOM 0 H LYS A 18 -2.269 8.445 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.272 11.399 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.332 9.556 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.406 9.540 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.204 11.944 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.436 12.150 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.189 12.173 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.576 10.987 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.906 9.169 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.256 10.119 -9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.693 9.606 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.586 11.282 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.711 10.361 -9.275 1.00 0.00 H new ATOM 261 N GLU A 19 -4.605 9.640 -5.673 1.00 0.00 N ATOM 262 CA GLU A 19 -5.894 9.387 -6.376 1.00 0.00 C ATOM 263 C GLU A 19 -7.051 9.502 -5.382 1.00 0.00 C ATOM 264 O GLU A 19 -6.933 10.124 -4.345 1.00 0.00 O ATOM 265 CB GLU A 19 -5.878 7.980 -6.977 1.00 0.00 C ATOM 266 CG GLU A 19 -6.538 8.006 -8.357 1.00 0.00 C ATOM 267 CD GLU A 19 -7.515 6.835 -8.478 1.00 0.00 C ATOM 268 OE1 GLU A 19 -7.054 5.707 -8.530 1.00 0.00 O ATOM 269 OE2 GLU A 19 -8.708 7.087 -8.517 1.00 0.00 O ATOM 0 H GLU A 19 -4.596 9.402 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.024 10.122 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.852 7.620 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.407 7.288 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.065 8.949 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.779 7.942 -9.136 1.00 0.00 H new ATOM 276 N ARG A 20 -8.170 8.905 -5.690 1.00 0.00 N ATOM 277 CA ARG A 20 -9.335 8.976 -4.765 1.00 0.00 C ATOM 278 C ARG A 20 -9.694 7.566 -4.296 1.00 0.00 C ATOM 279 O ARG A 20 -10.269 6.792 -5.035 1.00 0.00 O ATOM 280 CB ARG A 20 -10.530 9.593 -5.493 1.00 0.00 C ATOM 281 CG ARG A 20 -11.455 10.265 -4.476 1.00 0.00 C ATOM 282 CD ARG A 20 -11.483 11.773 -4.729 1.00 0.00 C ATOM 283 NE ARG A 20 -11.831 12.483 -3.467 1.00 0.00 N ATOM 284 CZ ARG A 20 -11.884 13.787 -3.445 1.00 0.00 C ATOM 285 NH1 ARG A 20 -10.805 14.487 -3.667 1.00 0.00 N ATOM 286 NH2 ARG A 20 -13.014 14.391 -3.201 1.00 0.00 N ATOM 0 H ARG A 20 -8.327 8.370 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.080 9.593 -3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.186 10.323 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.073 8.823 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.461 9.853 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.108 10.062 -3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.512 12.109 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.212 12.009 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.028 11.950 -2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.921 14.015 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.846 15.506 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.857 13.844 -3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.054 15.410 -3.184 1.00 0.00 H new ATOM 300 N LYS A 21 -9.350 7.240 -3.072 1.00 0.00 N ATOM 301 CA LYS A 21 -9.647 5.885 -2.505 1.00 0.00 C ATOM 302 C LYS A 21 -9.710 4.829 -3.614 1.00 0.00 C ATOM 303 O LYS A 21 -10.741 4.239 -3.866 1.00 0.00 O ATOM 304 CB LYS A 21 -10.977 5.922 -1.743 1.00 0.00 C ATOM 305 CG LYS A 21 -12.144 6.068 -2.722 1.00 0.00 C ATOM 306 CD LYS A 21 -13.108 7.141 -2.210 1.00 0.00 C ATOM 307 CE LYS A 21 -14.138 6.501 -1.278 1.00 0.00 C ATOM 308 NZ LYS A 21 -15.511 6.790 -1.781 1.00 0.00 N ATOM 0 H LYS A 21 -8.867 7.868 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.843 5.614 -1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.095 5.009 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.978 6.754 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.772 6.340 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.665 5.116 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.556 7.918 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.611 7.623 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.977 5.424 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.020 6.890 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.212 6.355 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.661 7.819 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.620 6.398 -2.738 1.00 0.00 H new ATOM 322 N GLY A 22 -8.610 4.586 -4.276 1.00 0.00 N ATOM 323 CA GLY A 22 -8.599 3.566 -5.365 1.00 0.00 C ATOM 324 C GLY A 22 -7.159 3.329 -5.826 1.00 0.00 C ATOM 325 O GLY A 22 -6.794 3.634 -6.944 1.00 0.00 O ATOM 0 H GLY A 22 -7.717 5.051 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.037 2.633 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.209 3.905 -6.202 1.00 0.00 H new ATOM 329 N LEU A 23 -6.336 2.792 -4.967 1.00 0.00 N ATOM 330 CA LEU A 23 -4.915 2.539 -5.344 1.00 0.00 C ATOM 331 C LEU A 23 -4.820 1.324 -6.272 1.00 0.00 C ATOM 332 O LEU A 23 -4.196 1.375 -7.314 1.00 0.00 O ATOM 333 CB LEU A 23 -4.098 2.264 -4.080 1.00 0.00 C ATOM 334 CG LEU A 23 -4.359 3.362 -3.048 1.00 0.00 C ATOM 335 CD1 LEU A 23 -4.404 2.749 -1.647 1.00 0.00 C ATOM 336 CD2 LEU A 23 -3.244 4.410 -3.108 1.00 0.00 C ATOM 0 H LEU A 23 -6.587 2.517 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.526 3.416 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.366 1.292 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.036 2.225 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.314 3.839 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.590 3.533 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.203 2.010 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.451 2.267 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.437 5.189 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.287 3.935 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.214 4.853 -4.104 1.00 0.00 H new ATOM 348 N SER A 24 -5.416 0.225 -5.894 1.00 0.00 N ATOM 349 CA SER A 24 -5.341 -0.995 -6.739 1.00 0.00 C ATOM 350 C SER A 24 -3.936 -1.581 -6.619 1.00 0.00 C ATOM 351 O SER A 24 -3.441 -2.224 -7.523 1.00 0.00 O ATOM 352 CB SER A 24 -5.626 -0.630 -8.196 1.00 0.00 C ATOM 353 OG SER A 24 -6.355 -1.686 -8.810 1.00 0.00 O ATOM 0 H SER A 24 -5.953 0.122 -5.033 1.00 0.00 H new ATOM 0 HA SER A 24 -6.079 -1.726 -6.409 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.196 0.298 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.691 -0.459 -8.730 1.00 0.00 H new ATOM 0 HG SER A 24 -6.541 -1.455 -9.744 1.00 0.00 H new ATOM 359 N LEU A 25 -3.282 -1.352 -5.507 1.00 0.00 N ATOM 360 CA LEU A 25 -1.900 -1.886 -5.338 1.00 0.00 C ATOM 361 C LEU A 25 -1.026 -1.331 -6.468 1.00 0.00 C ATOM 362 O LEU A 25 0.057 -1.816 -6.730 1.00 0.00 O ATOM 363 CB LEU A 25 -1.938 -3.417 -5.416 1.00 0.00 C ATOM 364 CG LEU A 25 -3.273 -3.930 -4.870 1.00 0.00 C ATOM 365 CD1 LEU A 25 -3.229 -5.455 -4.764 1.00 0.00 C ATOM 366 CD2 LEU A 25 -3.519 -3.330 -3.484 1.00 0.00 C ATOM 0 H LEU A 25 -3.645 -0.821 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.492 -1.588 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.808 -3.741 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.113 -3.840 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.078 -3.636 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.180 -5.820 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.052 -5.883 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.424 -5.750 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.469 -3.694 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.713 -3.625 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.550 -2.243 -3.558 1.00 0.00 H new ATOM 378 N ALA A 26 -1.493 -0.305 -7.131 1.00 0.00 N ATOM 379 CA ALA A 26 -0.706 0.307 -8.237 1.00 0.00 C ATOM 380 C ALA A 26 -0.474 1.785 -7.915 1.00 0.00 C ATOM 381 O ALA A 26 0.132 2.512 -8.675 1.00 0.00 O ATOM 382 CB ALA A 26 -1.481 0.183 -9.551 1.00 0.00 C ATOM 0 H ALA A 26 -2.394 0.137 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 26 0.250 -0.206 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.902 0.632 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.656 -0.870 -9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.437 0.699 -9.460 1.00 0.00 H new ATOM 388 N ALA A 27 -0.948 2.228 -6.781 1.00 0.00 N ATOM 389 CA ALA A 27 -0.750 3.647 -6.386 1.00 0.00 C ATOM 390 C ALA A 27 0.083 3.668 -5.106 1.00 0.00 C ATOM 391 O ALA A 27 1.232 4.063 -5.110 1.00 0.00 O ATOM 392 CB ALA A 27 -2.107 4.305 -6.132 1.00 0.00 C ATOM 0 H ALA A 27 -1.467 1.662 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.240 4.195 -7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.958 5.345 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.707 4.263 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.624 3.776 -5.331 1.00 0.00 H new ATOM 398 N LEU A 28 -0.476 3.219 -4.013 1.00 0.00 N ATOM 399 CA LEU A 28 0.304 3.190 -2.747 1.00 0.00 C ATOM 400 C LEU A 28 1.553 2.352 -2.971 1.00 0.00 C ATOM 401 O LEU A 28 2.653 2.817 -2.808 1.00 0.00 O ATOM 402 CB LEU A 28 -0.515 2.542 -1.616 1.00 0.00 C ATOM 403 CG LEU A 28 0.454 2.009 -0.549 1.00 0.00 C ATOM 404 CD1 LEU A 28 1.288 3.174 -0.018 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.306 1.362 0.600 1.00 0.00 C ATOM 0 H LEU A 28 -1.433 2.874 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 28 0.556 4.212 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.196 3.271 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.127 1.731 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 28 1.098 1.254 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.981 2.810 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.850 3.622 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.629 3.923 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.402 0.993 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.964 2.098 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.901 0.531 0.221 1.00 0.00 H new ATOM 417 N LYS A 29 1.373 1.103 -3.309 1.00 0.00 N ATOM 418 CA LYS A 29 2.538 0.201 -3.518 1.00 0.00 C ATOM 419 C LYS A 29 3.359 0.675 -4.728 1.00 0.00 C ATOM 420 O LYS A 29 4.402 0.131 -5.020 1.00 0.00 O ATOM 421 CB LYS A 29 2.034 -1.228 -3.766 1.00 0.00 C ATOM 422 CG LYS A 29 1.793 -1.976 -2.433 1.00 0.00 C ATOM 423 CD LYS A 29 1.011 -3.283 -2.711 1.00 0.00 C ATOM 424 CE LYS A 29 1.104 -3.688 -4.192 1.00 0.00 C ATOM 425 NZ LYS A 29 0.599 -5.080 -4.362 1.00 0.00 N ATOM 0 H LYS A 29 0.461 0.668 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 29 3.171 0.219 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.108 -1.195 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.762 -1.774 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.745 -2.204 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.233 -1.343 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.406 -4.085 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.035 -3.149 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.520 -3.001 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.137 -3.621 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.310 -5.226 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.352 -5.755 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.218 -5.232 -3.737 1.00 0.00 H new ATOM 439 N LYS A 30 2.910 1.684 -5.435 1.00 0.00 N ATOM 440 CA LYS A 30 3.691 2.167 -6.611 1.00 0.00 C ATOM 441 C LYS A 30 4.460 3.436 -6.225 1.00 0.00 C ATOM 442 O LYS A 30 5.158 4.023 -7.028 1.00 0.00 O ATOM 443 CB LYS A 30 2.739 2.466 -7.768 1.00 0.00 C ATOM 444 CG LYS A 30 2.659 1.242 -8.684 1.00 0.00 C ATOM 445 CD LYS A 30 3.706 1.364 -9.793 1.00 0.00 C ATOM 446 CE LYS A 30 3.072 2.013 -11.025 1.00 0.00 C ATOM 447 NZ LYS A 30 2.274 0.995 -11.765 1.00 0.00 N ATOM 0 H LYS A 30 2.043 2.189 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 30 4.399 1.399 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.749 2.714 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.090 3.332 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.828 0.332 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.662 1.164 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.549 1.962 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.097 0.379 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.433 2.843 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.847 2.425 -11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.500 1.465 -12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.887 0.500 -12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.878 0.308 -11.092 1.00 0.00 H new ATOM 461 N ALA A 31 4.350 3.844 -4.991 1.00 0.00 N ATOM 462 CA ALA A 31 5.081 5.051 -4.519 1.00 0.00 C ATOM 463 C ALA A 31 6.375 4.593 -3.842 1.00 0.00 C ATOM 464 O ALA A 31 7.151 5.384 -3.345 1.00 0.00 O ATOM 465 CB ALA A 31 4.210 5.803 -3.507 1.00 0.00 C ATOM 0 H ALA A 31 3.777 3.386 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 31 5.309 5.711 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.741 6.689 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.276 6.103 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.993 5.152 -2.660 1.00 0.00 H new ATOM 471 N LEU A 32 6.601 3.308 -3.825 1.00 0.00 N ATOM 472 CA LEU A 32 7.822 2.749 -3.194 1.00 0.00 C ATOM 473 C LEU A 32 8.781 2.314 -4.294 1.00 0.00 C ATOM 474 O LEU A 32 9.965 2.140 -4.083 1.00 0.00 O ATOM 475 CB LEU A 32 7.410 1.543 -2.343 1.00 0.00 C ATOM 476 CG LEU A 32 6.167 1.901 -1.522 1.00 0.00 C ATOM 477 CD1 LEU A 32 6.320 3.322 -0.992 1.00 0.00 C ATOM 478 CD2 LEU A 32 4.912 1.811 -2.389 1.00 0.00 C ATOM 0 H LEU A 32 5.976 2.611 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 32 8.314 3.490 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.202 0.686 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.226 1.255 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 32 6.068 1.200 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.441 3.588 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.208 3.382 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.421 4.013 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.038 2.068 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.997 2.505 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.805 0.795 -2.770 1.00 0.00 H new ATOM 490 N ALA A 33 8.262 2.144 -5.471 1.00 0.00 N ATOM 491 CA ALA A 33 9.103 1.725 -6.617 1.00 0.00 C ATOM 492 C ALA A 33 9.566 2.967 -7.382 1.00 0.00 C ATOM 493 O ALA A 33 9.608 2.981 -8.596 1.00 0.00 O ATOM 494 CB ALA A 33 8.272 0.840 -7.546 1.00 0.00 C ATOM 0 H ALA A 33 7.275 2.280 -5.691 1.00 0.00 H new ATOM 0 HA ALA A 33 9.971 1.172 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.883 0.527 -8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.929 -0.039 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.410 1.401 -7.908 1.00 0.00 H new ATOM 500 N ALA A 34 9.894 4.019 -6.682 1.00 0.00 N ATOM 501 CA ALA A 34 10.328 5.266 -7.376 1.00 0.00 C ATOM 502 C ALA A 34 11.855 5.346 -7.464 1.00 0.00 C ATOM 503 O ALA A 34 12.409 5.528 -8.531 1.00 0.00 O ATOM 504 CB ALA A 34 9.806 6.481 -6.607 1.00 0.00 C ATOM 0 H ALA A 34 9.881 4.069 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 34 9.923 5.254 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.122 7.394 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.717 6.446 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.207 6.470 -5.593 1.00 0.00 H new ATOM 510 N GLY A 35 12.547 5.239 -6.362 1.00 0.00 N ATOM 511 CA GLY A 35 14.035 5.344 -6.425 1.00 0.00 C ATOM 512 C GLY A 35 14.698 4.273 -5.557 1.00 0.00 C ATOM 513 O GLY A 35 14.939 4.472 -4.383 1.00 0.00 O ATOM 0 H GLY A 35 12.155 5.086 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.367 5.237 -7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.348 6.333 -6.090 1.00 0.00 H new ATOM 517 N GLY A 36 15.001 3.140 -6.129 1.00 0.00 N ATOM 518 CA GLY A 36 15.657 2.057 -5.342 1.00 0.00 C ATOM 519 C GLY A 36 14.576 1.121 -4.824 1.00 0.00 C ATOM 520 O GLY A 36 14.401 0.961 -3.635 1.00 0.00 O ATOM 0 H GLY A 36 14.823 2.917 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.365 1.511 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.223 2.480 -4.512 1.00 0.00 H new ATOM 524 N TYR A 37 13.837 0.530 -5.723 1.00 0.00 N ATOM 525 CA TYR A 37 12.724 -0.380 -5.332 1.00 0.00 C ATOM 526 C TYR A 37 11.768 -0.457 -6.519 1.00 0.00 C ATOM 527 O TYR A 37 11.613 0.507 -7.240 1.00 0.00 O ATOM 528 CB TYR A 37 12.002 0.224 -4.116 1.00 0.00 C ATOM 529 CG TYR A 37 12.466 -0.430 -2.827 1.00 0.00 C ATOM 530 CD1 TYR A 37 13.513 -1.369 -2.822 1.00 0.00 C ATOM 531 CD2 TYR A 37 11.840 -0.087 -1.625 1.00 0.00 C ATOM 532 CE1 TYR A 37 13.922 -1.953 -1.621 1.00 0.00 C ATOM 533 CE2 TYR A 37 12.255 -0.673 -0.426 1.00 0.00 C ATOM 534 CZ TYR A 37 13.295 -1.606 -0.422 1.00 0.00 C ATOM 535 OH TYR A 37 13.704 -2.183 0.764 1.00 0.00 O ATOM 0 H TYR A 37 13.960 0.642 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 37 13.088 -1.374 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.191 1.297 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.925 0.094 -4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.001 -1.639 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.034 0.632 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.725 -2.675 -1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.770 -0.404 0.501 1.00 0.00 H new ATOM 0 HH TYR A 37 13.164 -1.831 1.502 1.00 0.00 H new ATOM 545 N ASP A 38 11.132 -1.574 -6.767 1.00 0.00 N ATOM 546 CA ASP A 38 10.226 -1.605 -7.933 1.00 0.00 C ATOM 547 C ASP A 38 8.985 -2.428 -7.620 1.00 0.00 C ATOM 548 O ASP A 38 8.236 -2.768 -8.511 1.00 0.00 O ATOM 549 CB ASP A 38 10.960 -2.204 -9.141 1.00 0.00 C ATOM 550 CG ASP A 38 10.795 -1.281 -10.350 1.00 0.00 C ATOM 551 OD1 ASP A 38 9.694 -0.798 -10.556 1.00 0.00 O ATOM 552 OD2 ASP A 38 11.773 -1.074 -11.049 1.00 0.00 O ATOM 0 H ASP A 38 11.202 -2.436 -6.226 1.00 0.00 H new ATOM 0 HA ASP A 38 9.917 -0.586 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.018 -2.332 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.561 -3.193 -9.368 1.00 0.00 H new ATOM 557 N VAL A 39 8.759 -2.789 -6.374 1.00 0.00 N ATOM 558 CA VAL A 39 7.569 -3.613 -6.070 1.00 0.00 C ATOM 559 C VAL A 39 7.618 -4.798 -7.026 1.00 0.00 C ATOM 560 O VAL A 39 6.623 -5.423 -7.337 1.00 0.00 O ATOM 561 CB VAL A 39 6.284 -2.774 -6.275 1.00 0.00 C ATOM 562 CG1 VAL A 39 6.540 -1.310 -5.887 1.00 0.00 C ATOM 563 CG2 VAL A 39 5.819 -2.800 -7.741 1.00 0.00 C ATOM 0 H VAL A 39 9.345 -2.547 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 39 7.562 -3.957 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 39 5.512 -3.213 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.629 -0.730 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.837 -1.258 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.336 -0.902 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.915 -2.201 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.602 -2.390 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.610 -3.828 -8.038 1.00 0.00 H new ATOM 573 N GLU A 40 8.796 -5.075 -7.507 1.00 0.00 N ATOM 574 CA GLU A 40 8.994 -6.168 -8.462 1.00 0.00 C ATOM 575 C GLU A 40 10.286 -6.867 -8.090 1.00 0.00 C ATOM 576 O GLU A 40 10.291 -7.994 -7.636 1.00 0.00 O ATOM 577 CB GLU A 40 9.101 -5.579 -9.865 1.00 0.00 C ATOM 578 CG GLU A 40 8.078 -6.255 -10.781 1.00 0.00 C ATOM 579 CD GLU A 40 8.616 -7.613 -11.234 1.00 0.00 C ATOM 580 OE1 GLU A 40 8.736 -8.491 -10.395 1.00 0.00 O ATOM 581 OE2 GLU A 40 8.899 -7.754 -12.412 1.00 0.00 O ATOM 0 H GLU A 40 9.646 -4.567 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 40 8.164 -6.875 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.923 -4.504 -9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.108 -5.725 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.132 -6.384 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.877 -5.624 -11.647 1.00 0.00 H new ATOM 588 N LYS A 41 11.385 -6.186 -8.230 1.00 0.00 N ATOM 589 CA LYS A 41 12.667 -6.796 -7.830 1.00 0.00 C ATOM 590 C LYS A 41 12.613 -6.992 -6.317 1.00 0.00 C ATOM 591 O LYS A 41 13.401 -7.717 -5.744 1.00 0.00 O ATOM 592 CB LYS A 41 13.826 -5.867 -8.197 1.00 0.00 C ATOM 593 CG LYS A 41 15.127 -6.411 -7.602 1.00 0.00 C ATOM 594 CD LYS A 41 16.170 -6.565 -8.712 1.00 0.00 C ATOM 595 CE LYS A 41 17.350 -7.389 -8.195 1.00 0.00 C ATOM 596 NZ LYS A 41 18.567 -6.532 -8.137 1.00 0.00 N ATOM 0 H LYS A 41 11.446 -5.238 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 41 12.824 -7.746 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.914 -5.789 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.634 -4.862 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.498 -5.735 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.946 -7.373 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.724 -7.053 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.514 -5.584 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.124 -7.786 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.525 -8.243 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.370 -7.092 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.785 -6.174 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.397 -5.731 -7.496 1.00 0.00 H new ATOM 610 N ASN A 42 11.668 -6.353 -5.659 1.00 0.00 N ATOM 611 CA ASN A 42 11.553 -6.509 -4.198 1.00 0.00 C ATOM 612 C ASN A 42 10.072 -6.641 -3.854 1.00 0.00 C ATOM 613 O ASN A 42 9.689 -6.503 -2.724 1.00 0.00 O ATOM 614 CB ASN A 42 12.136 -5.266 -3.521 1.00 0.00 C ATOM 615 CG ASN A 42 13.398 -4.825 -4.261 1.00 0.00 C ATOM 616 OD1 ASN A 42 14.393 -5.523 -4.262 1.00 0.00 O ATOM 617 ND2 ASN A 42 13.399 -3.686 -4.896 1.00 0.00 N ATOM 0 H ASN A 42 10.979 -5.734 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 42 12.095 -7.390 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.401 -4.461 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.370 -5.483 -2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.235 -3.380 -5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.564 -3.101 -4.895 1.00 0.00 H new ATOM 624 N ASN A 43 9.242 -6.902 -4.841 1.00 0.00 N ATOM 625 CA ASN A 43 7.768 -7.031 -4.608 1.00 0.00 C ATOM 626 C ASN A 43 7.465 -7.710 -3.272 1.00 0.00 C ATOM 627 O ASN A 43 6.407 -7.521 -2.705 1.00 0.00 O ATOM 628 CB ASN A 43 7.148 -7.855 -5.738 1.00 0.00 C ATOM 629 CG ASN A 43 7.500 -9.333 -5.550 1.00 0.00 C ATOM 630 OD1 ASN A 43 6.632 -10.150 -5.318 1.00 0.00 O ATOM 631 ND2 ASN A 43 8.746 -9.712 -5.638 1.00 0.00 N ATOM 0 H ASN A 43 9.530 -7.032 -5.811 1.00 0.00 H new ATOM 0 HA ASN A 43 7.342 -6.028 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.066 -7.727 -5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.516 -7.503 -6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.990 -10.694 -5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.475 -9.026 -5.833 1.00 0.00 H new ATOM 638 N SER A 44 8.360 -8.503 -2.760 1.00 0.00 N ATOM 639 CA SER A 44 8.081 -9.183 -1.467 1.00 0.00 C ATOM 640 C SER A 44 8.044 -8.174 -0.310 1.00 0.00 C ATOM 641 O SER A 44 7.919 -8.556 0.836 1.00 0.00 O ATOM 642 CB SER A 44 9.159 -10.228 -1.195 1.00 0.00 C ATOM 643 OG SER A 44 9.521 -10.858 -2.417 1.00 0.00 O ATOM 0 H SER A 44 9.268 -8.710 -3.177 1.00 0.00 H new ATOM 0 HA SER A 44 7.106 -9.664 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.032 -9.758 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.792 -10.969 -0.485 1.00 0.00 H new ATOM 0 HG SER A 44 10.215 -11.529 -2.246 1.00 0.00 H new ATOM 649 N ARG A 45 8.114 -6.894 -0.578 1.00 0.00 N ATOM 650 CA ARG A 45 8.036 -5.922 0.545 1.00 0.00 C ATOM 651 C ARG A 45 6.859 -4.985 0.293 1.00 0.00 C ATOM 652 O ARG A 45 6.315 -4.403 1.204 1.00 0.00 O ATOM 653 CB ARG A 45 9.357 -5.137 0.727 1.00 0.00 C ATOM 654 CG ARG A 45 9.163 -3.635 0.450 1.00 0.00 C ATOM 655 CD ARG A 45 10.503 -2.991 0.097 1.00 0.00 C ATOM 656 NE ARG A 45 10.836 -3.254 -1.335 1.00 0.00 N ATOM 657 CZ ARG A 45 9.894 -3.273 -2.243 1.00 0.00 C ATOM 658 NH1 ARG A 45 9.024 -4.241 -2.258 1.00 0.00 N ATOM 659 NH2 ARG A 45 9.820 -2.320 -3.130 1.00 0.00 N ATOM 0 H ARG A 45 8.220 -6.489 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 45 7.880 -6.465 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.727 -5.276 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.115 -5.537 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.457 -3.496 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.736 -3.147 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.458 -1.917 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.288 -3.389 0.740 1.00 0.00 H new ATOM 0 HE ARG A 45 11.805 -3.420 -1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.077 -4.985 -1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.290 -4.256 -2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.497 -1.558 -3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.085 -2.337 -3.837 1.00 0.00 H new ATOM 673 N ILE A 46 6.461 -4.836 -0.937 1.00 0.00 N ATOM 674 CA ILE A 46 5.311 -3.956 -1.235 1.00 0.00 C ATOM 675 C ILE A 46 4.029 -4.755 -1.003 1.00 0.00 C ATOM 676 O ILE A 46 3.082 -4.273 -0.422 1.00 0.00 O ATOM 677 CB ILE A 46 5.409 -3.477 -2.689 1.00 0.00 C ATOM 678 CG1 ILE A 46 5.638 -1.968 -2.677 1.00 0.00 C ATOM 679 CG2 ILE A 46 4.109 -3.788 -3.458 1.00 0.00 C ATOM 680 CD1 ILE A 46 7.140 -1.680 -2.735 1.00 0.00 C ATOM 0 H ILE A 46 6.886 -5.288 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 46 5.308 -3.079 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 46 6.231 -3.993 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.135 -1.506 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.208 -1.531 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.202 -3.439 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.933 -4.864 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.272 -3.281 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.304 -0.603 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.630 -2.129 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.557 -2.103 -3.649 1.00 0.00 H new ATOM 692 N LYS A 47 3.998 -5.983 -1.447 1.00 0.00 N ATOM 693 CA LYS A 47 2.782 -6.812 -1.227 1.00 0.00 C ATOM 694 C LYS A 47 2.867 -7.419 0.176 1.00 0.00 C ATOM 695 O LYS A 47 2.124 -8.310 0.535 1.00 0.00 O ATOM 696 CB LYS A 47 2.711 -7.921 -2.275 1.00 0.00 C ATOM 697 CG LYS A 47 3.891 -8.878 -2.089 1.00 0.00 C ATOM 698 CD LYS A 47 3.383 -10.218 -1.551 1.00 0.00 C ATOM 699 CE LYS A 47 3.612 -11.309 -2.599 1.00 0.00 C ATOM 700 NZ LYS A 47 3.414 -12.647 -1.974 1.00 0.00 N ATOM 0 H LYS A 47 4.757 -6.444 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 47 1.885 -6.199 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.771 -8.464 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.732 -7.491 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.405 -9.027 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.616 -8.448 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.903 -10.472 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.322 -10.147 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.921 -11.179 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.620 -11.231 -3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.570 -13.389 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.090 -12.769 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.444 -12.718 -1.606 1.00 0.00 H new ATOM 714 N LEU A 48 3.775 -6.916 0.967 1.00 0.00 N ATOM 715 CA LEU A 48 3.953 -7.399 2.355 1.00 0.00 C ATOM 716 C LEU A 48 3.708 -6.204 3.278 1.00 0.00 C ATOM 717 O LEU A 48 3.090 -6.319 4.313 1.00 0.00 O ATOM 718 CB LEU A 48 5.387 -7.925 2.514 1.00 0.00 C ATOM 719 CG LEU A 48 5.837 -7.808 3.970 1.00 0.00 C ATOM 720 CD1 LEU A 48 4.904 -8.631 4.860 1.00 0.00 C ATOM 721 CD2 LEU A 48 7.266 -8.340 4.105 1.00 0.00 C ATOM 0 H LEU A 48 4.416 -6.170 0.696 1.00 0.00 H new ATOM 0 HA LEU A 48 3.263 -8.207 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.438 -8.966 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.062 -7.360 1.871 1.00 0.00 H new ATOM 0 HG LEU A 48 5.805 -6.763 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.225 -8.548 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.885 -8.256 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.937 -9.676 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.589 -8.257 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.296 -9.385 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.933 -7.757 3.470 1.00 0.00 H new ATOM 733 N GLY A 49 4.167 -5.046 2.877 1.00 0.00 N ATOM 734 CA GLY A 49 3.945 -3.821 3.678 1.00 0.00 C ATOM 735 C GLY A 49 2.585 -3.264 3.287 1.00 0.00 C ATOM 736 O GLY A 49 1.960 -2.549 4.040 1.00 0.00 O ATOM 0 H GLY A 49 4.693 -4.903 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.975 -4.048 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.730 -3.089 3.486 1.00 0.00 H new ATOM 740 N LEU A 50 2.110 -3.626 2.117 1.00 0.00 N ATOM 741 CA LEU A 50 0.765 -3.163 1.682 1.00 0.00 C ATOM 742 C LEU A 50 -0.218 -4.262 2.025 1.00 0.00 C ATOM 743 O LEU A 50 -1.200 -4.042 2.706 1.00 0.00 O ATOM 744 CB LEU A 50 0.695 -2.899 0.186 1.00 0.00 C ATOM 745 CG LEU A 50 -0.753 -2.533 -0.159 1.00 0.00 C ATOM 746 CD1 LEU A 50 -0.782 -1.284 -1.034 1.00 0.00 C ATOM 747 CD2 LEU A 50 -1.402 -3.695 -0.902 1.00 0.00 C ATOM 0 H LEU A 50 2.600 -4.222 1.450 1.00 0.00 H new ATOM 0 HA LEU A 50 0.538 -2.224 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.370 -2.089 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.009 -3.781 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.303 -2.333 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.815 -1.032 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.321 -0.454 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.231 -1.472 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.432 -3.439 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.848 -3.895 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.391 -4.583 -0.270 1.00 0.00 H new ATOM 759 N LYS A 51 0.066 -5.468 1.609 1.00 0.00 N ATOM 760 CA LYS A 51 -0.831 -6.582 1.987 1.00 0.00 C ATOM 761 C LYS A 51 -0.990 -6.473 3.493 1.00 0.00 C ATOM 762 O LYS A 51 -1.995 -6.833 4.065 1.00 0.00 O ATOM 763 CB LYS A 51 -0.184 -7.918 1.631 1.00 0.00 C ATOM 764 CG LYS A 51 -1.071 -9.059 2.126 1.00 0.00 C ATOM 765 CD LYS A 51 -0.628 -9.487 3.527 1.00 0.00 C ATOM 766 CE LYS A 51 -1.434 -10.713 3.964 1.00 0.00 C ATOM 767 NZ LYS A 51 -1.223 -11.820 2.988 1.00 0.00 N ATOM 0 H LYS A 51 0.869 -5.721 1.033 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.788 -6.530 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.046 -7.992 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.805 -7.988 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.113 -8.740 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.009 -9.904 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.437 -9.719 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.777 -8.670 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.125 -11.029 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.493 -10.463 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.391 -12.733 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.884 -11.712 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.246 -11.788 2.633 1.00 0.00 H new ATOM 781 N SER A 52 0.016 -5.927 4.125 1.00 0.00 N ATOM 782 CA SER A 52 -0.031 -5.722 5.588 1.00 0.00 C ATOM 783 C SER A 52 -0.567 -4.319 5.866 1.00 0.00 C ATOM 784 O SER A 52 -1.211 -4.100 6.863 1.00 0.00 O ATOM 785 CB SER A 52 1.365 -5.864 6.191 1.00 0.00 C ATOM 786 OG SER A 52 1.814 -7.204 6.026 1.00 0.00 O ATOM 0 H SER A 52 0.876 -5.613 3.676 1.00 0.00 H new ATOM 0 HA SER A 52 -0.681 -6.472 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.055 -5.174 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.345 -5.603 7.249 1.00 0.00 H new ATOM 0 HG SER A 52 2.055 -7.355 5.088 1.00 0.00 H new ATOM 792 N LEU A 53 -0.347 -3.353 5.001 1.00 0.00 N ATOM 793 CA LEU A 53 -0.924 -2.017 5.312 1.00 0.00 C ATOM 794 C LEU A 53 -2.427 -2.122 5.098 1.00 0.00 C ATOM 795 O LEU A 53 -3.200 -2.136 6.035 1.00 0.00 O ATOM 796 CB LEU A 53 -0.340 -0.931 4.407 1.00 0.00 C ATOM 797 CG LEU A 53 0.439 0.065 5.263 1.00 0.00 C ATOM 798 CD1 LEU A 53 -0.482 0.634 6.342 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.615 -0.653 5.926 1.00 0.00 C ATOM 0 H LEU A 53 0.183 -3.430 4.133 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.686 -1.737 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.315 -1.377 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.138 -0.421 3.868 1.00 0.00 H new ATOM 0 HG LEU A 53 0.811 0.876 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.072 1.345 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.325 1.140 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.850 -0.177 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.175 0.054 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.240 -1.461 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.270 -1.065 5.158 1.00 0.00 H new ATOM 811 N VAL A 54 -2.849 -2.220 3.870 1.00 0.00 N ATOM 812 CA VAL A 54 -4.303 -2.351 3.597 1.00 0.00 C ATOM 813 C VAL A 54 -4.945 -3.406 4.509 1.00 0.00 C ATOM 814 O VAL A 54 -5.961 -3.165 5.130 1.00 0.00 O ATOM 815 CB VAL A 54 -4.484 -2.777 2.146 1.00 0.00 C ATOM 816 CG1 VAL A 54 -5.968 -3.013 1.858 1.00 0.00 C ATOM 817 CG2 VAL A 54 -3.930 -1.688 1.223 1.00 0.00 C ATOM 0 H VAL A 54 -2.249 -2.215 3.045 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.785 -1.392 3.788 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.941 -3.705 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.093 -3.318 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.346 -3.797 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.524 -2.092 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.059 -1.991 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.466 -0.755 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.870 -1.541 1.429 1.00 0.00 H new ATOM 827 N SER A 55 -4.389 -4.583 4.561 1.00 0.00 N ATOM 828 CA SER A 55 -5.000 -5.668 5.396 1.00 0.00 C ATOM 829 C SER A 55 -4.894 -5.370 6.899 1.00 0.00 C ATOM 830 O SER A 55 -5.894 -5.322 7.587 1.00 0.00 O ATOM 831 CB SER A 55 -4.302 -6.994 5.102 1.00 0.00 C ATOM 832 OG SER A 55 -5.151 -8.067 5.489 1.00 0.00 O ATOM 0 H SER A 55 -3.538 -4.846 4.064 1.00 0.00 H new ATOM 0 HA SER A 55 -6.057 -5.724 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.066 -7.066 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.357 -7.049 5.643 1.00 0.00 H new ATOM 0 HG SER A 55 -4.707 -8.920 5.300 1.00 0.00 H new ATOM 838 N LYS A 56 -3.700 -5.206 7.419 1.00 0.00 N ATOM 839 CA LYS A 56 -3.542 -4.948 8.889 1.00 0.00 C ATOM 840 C LYS A 56 -4.691 -4.086 9.397 1.00 0.00 C ATOM 841 O LYS A 56 -5.228 -4.313 10.463 1.00 0.00 O ATOM 842 CB LYS A 56 -2.225 -4.222 9.162 1.00 0.00 C ATOM 843 CG LYS A 56 -2.165 -3.820 10.637 1.00 0.00 C ATOM 844 CD LYS A 56 -0.856 -4.320 11.250 1.00 0.00 C ATOM 845 CE LYS A 56 -1.071 -5.709 11.854 1.00 0.00 C ATOM 846 NZ LYS A 56 -1.788 -5.580 13.155 1.00 0.00 N ATOM 0 H LYS A 56 -2.828 -5.239 6.891 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.544 -5.908 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.382 -4.868 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.146 -3.338 8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.233 -2.736 10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.015 -4.241 11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.078 -4.360 10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.514 -3.627 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.648 -6.330 11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.112 -6.205 12.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.670 -6.455 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.395 -4.779 13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.800 -5.416 12.979 1.00 0.00 H new ATOM 860 N GLY A 57 -5.079 -3.102 8.642 1.00 0.00 N ATOM 861 CA GLY A 57 -6.202 -2.236 9.090 1.00 0.00 C ATOM 862 C GLY A 57 -5.873 -0.770 8.836 1.00 0.00 C ATOM 863 O GLY A 57 -6.738 0.081 8.880 1.00 0.00 O ATOM 0 H GLY A 57 -4.671 -2.859 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.114 -2.508 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.391 -2.395 10.152 1.00 0.00 H new ATOM 867 N THR A 58 -4.641 -0.458 8.548 1.00 0.00 N ATOM 868 CA THR A 58 -4.309 0.960 8.274 1.00 0.00 C ATOM 869 C THR A 58 -5.111 1.357 7.051 1.00 0.00 C ATOM 870 O THR A 58 -6.095 2.047 7.131 1.00 0.00 O ATOM 871 CB THR A 58 -2.813 1.110 7.978 1.00 0.00 C ATOM 872 OG1 THR A 58 -2.174 -0.152 8.106 1.00 0.00 O ATOM 873 CG2 THR A 58 -2.190 2.101 8.964 1.00 0.00 C ATOM 0 H THR A 58 -3.863 -1.115 8.492 1.00 0.00 H new ATOM 0 HA THR A 58 -4.544 1.589 9.133 1.00 0.00 H new ATOM 0 HB THR A 58 -2.682 1.481 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.442 -0.731 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.126 2.206 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.678 3.071 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.322 1.733 9.982 1.00 0.00 H new ATOM 881 N LEU A 59 -4.697 0.879 5.925 1.00 0.00 N ATOM 882 CA LEU A 59 -5.404 1.163 4.653 1.00 0.00 C ATOM 883 C LEU A 59 -6.576 0.185 4.485 1.00 0.00 C ATOM 884 O LEU A 59 -6.597 -0.620 3.580 1.00 0.00 O ATOM 885 CB LEU A 59 -4.403 0.950 3.532 1.00 0.00 C ATOM 886 CG LEU A 59 -4.421 2.138 2.594 1.00 0.00 C ATOM 887 CD1 LEU A 59 -3.613 3.278 3.204 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.816 1.733 1.255 1.00 0.00 C ATOM 0 H LEU A 59 -3.874 0.285 5.826 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.796 2.180 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.403 0.817 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.645 0.039 2.984 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.448 2.469 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.625 4.134 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.051 3.563 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.584 2.953 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.828 2.587 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.788 1.403 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.399 0.919 0.824 1.00 0.00 H new ATOM 900 N VAL A 60 -7.539 0.229 5.361 1.00 0.00 N ATOM 901 CA VAL A 60 -8.681 -0.734 5.262 1.00 0.00 C ATOM 902 C VAL A 60 -9.459 -0.580 3.951 1.00 0.00 C ATOM 903 O VAL A 60 -10.461 0.103 3.878 1.00 0.00 O ATOM 904 CB VAL A 60 -9.637 -0.569 6.445 1.00 0.00 C ATOM 905 CG1 VAL A 60 -9.147 -1.441 7.596 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.687 0.892 6.900 1.00 0.00 C ATOM 0 H VAL A 60 -7.589 0.886 6.140 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.247 -1.734 5.281 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.639 -0.870 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.820 -1.333 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.127 -2.484 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.143 -1.131 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.372 0.988 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.691 1.212 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.033 1.518 6.077 1.00 0.00 H new ATOM 916 N GLN A 61 -9.004 -1.246 2.928 1.00 0.00 N ATOM 917 CA GLN A 61 -9.679 -1.213 1.610 1.00 0.00 C ATOM 918 C GLN A 61 -11.186 -1.446 1.782 1.00 0.00 C ATOM 919 O GLN A 61 -11.910 -0.554 2.173 1.00 0.00 O ATOM 920 CB GLN A 61 -9.050 -2.309 0.719 1.00 0.00 C ATOM 921 CG GLN A 61 -9.856 -2.504 -0.575 1.00 0.00 C ATOM 922 CD GLN A 61 -8.903 -2.913 -1.693 1.00 0.00 C ATOM 923 OE1 GLN A 61 -9.009 -2.439 -2.806 1.00 0.00 O ATOM 924 NE2 GLN A 61 -7.967 -3.785 -1.438 1.00 0.00 N ATOM 0 H GLN A 61 -8.167 -1.828 2.956 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.547 -0.238 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.023 -2.037 0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.008 -3.249 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.620 -3.269 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.374 -1.582 -0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.880 -4.181 -0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.322 -4.070 -2.174 1.00 0.00 H new ATOM 933 N THR A 62 -11.652 -2.634 1.486 1.00 0.00 N ATOM 934 CA THR A 62 -13.107 -2.961 1.596 1.00 0.00 C ATOM 935 C THR A 62 -13.426 -4.092 0.612 1.00 0.00 C ATOM 936 O THR A 62 -14.419 -4.047 -0.085 1.00 0.00 O ATOM 937 CB THR A 62 -13.983 -1.744 1.253 1.00 0.00 C ATOM 938 OG1 THR A 62 -13.275 -0.850 0.407 1.00 0.00 O ATOM 939 CG2 THR A 62 -14.390 -1.022 2.540 1.00 0.00 C ATOM 0 H THR A 62 -11.071 -3.408 1.165 1.00 0.00 H new ATOM 0 HA THR A 62 -13.321 -3.258 2.623 1.00 0.00 H new ATOM 0 HB THR A 62 -14.876 -2.089 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.898 -0.121 0.943 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.010 -0.160 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.953 -1.704 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.497 -0.687 3.067 1.00 0.00 H new ATOM 947 N LYS A 63 -12.569 -5.090 0.550 1.00 0.00 N ATOM 948 CA LYS A 63 -12.766 -6.247 -0.385 1.00 0.00 C ATOM 949 C LYS A 63 -14.242 -6.412 -0.761 1.00 0.00 C ATOM 950 O LYS A 63 -14.981 -7.131 -0.118 1.00 0.00 O ATOM 951 CB LYS A 63 -12.278 -7.532 0.296 1.00 0.00 C ATOM 952 CG LYS A 63 -10.751 -7.511 0.396 1.00 0.00 C ATOM 953 CD LYS A 63 -10.243 -8.909 0.754 1.00 0.00 C ATOM 954 CE LYS A 63 -8.890 -8.797 1.458 1.00 0.00 C ATOM 955 NZ LYS A 63 -8.860 -9.718 2.629 1.00 0.00 N ATOM 0 H LYS A 63 -11.725 -5.150 1.120 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.197 -6.054 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.717 -7.618 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.604 -8.403 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.319 -7.187 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.435 -6.793 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.961 -9.413 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.147 -9.514 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.086 -9.046 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.722 -7.771 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.940 -9.641 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.618 -9.460 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.001 -10.696 2.305 1.00 0.00 H new ATOM 969 N GLY A 64 -14.672 -5.757 -1.808 1.00 0.00 N ATOM 970 CA GLY A 64 -16.093 -5.880 -2.237 1.00 0.00 C ATOM 971 C GLY A 64 -16.138 -6.157 -3.740 1.00 0.00 C ATOM 972 O GLY A 64 -17.128 -5.913 -4.399 1.00 0.00 O ATOM 0 H GLY A 64 -14.098 -5.142 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.582 -6.686 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.636 -4.964 -2.007 1.00 0.00 H new ATOM 976 N THR A 65 -15.064 -6.661 -4.286 1.00 0.00 N ATOM 977 CA THR A 65 -15.027 -6.954 -5.747 1.00 0.00 C ATOM 978 C THR A 65 -14.874 -5.638 -6.521 1.00 0.00 C ATOM 979 O THR A 65 -15.338 -4.600 -6.093 1.00 0.00 O ATOM 980 CB THR A 65 -16.319 -7.698 -6.154 1.00 0.00 C ATOM 981 OG1 THR A 65 -15.979 -8.792 -6.994 1.00 0.00 O ATOM 982 CG2 THR A 65 -17.288 -6.770 -6.902 1.00 0.00 C ATOM 0 H THR A 65 -14.207 -6.883 -3.780 1.00 0.00 H new ATOM 0 HA THR A 65 -14.177 -7.594 -5.984 1.00 0.00 H new ATOM 0 HB THR A 65 -16.813 -8.049 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 65 -16.794 -9.270 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 65 -18.186 -7.325 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.559 -5.933 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 65 -16.807 -6.393 -7.805 1.00 0.00 H new ATOM 990 N GLY A 66 -14.227 -5.674 -7.653 1.00 0.00 N ATOM 991 CA GLY A 66 -14.046 -4.425 -8.447 1.00 0.00 C ATOM 992 C GLY A 66 -15.362 -3.647 -8.483 1.00 0.00 C ATOM 993 O GLY A 66 -16.219 -3.897 -9.307 1.00 0.00 O ATOM 0 H GLY A 66 -13.816 -6.513 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.261 -3.811 -8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.728 -4.669 -9.461 1.00 0.00 H new ATOM 997 N ALA A 67 -15.530 -2.704 -7.597 1.00 0.00 N ATOM 998 CA ALA A 67 -16.793 -1.913 -7.583 1.00 0.00 C ATOM 999 C ALA A 67 -16.920 -1.174 -6.249 1.00 0.00 C ATOM 1000 O ALA A 67 -17.351 -0.039 -6.197 1.00 0.00 O ATOM 1001 CB ALA A 67 -17.986 -2.854 -7.758 1.00 0.00 C ATOM 0 H ALA A 67 -14.848 -2.447 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 67 -16.776 -1.190 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.910 -2.276 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -17.898 -3.380 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.002 -3.577 -6.943 1.00 0.00 H new ATOM 1007 N SER A 68 -16.549 -1.807 -5.169 1.00 0.00 N ATOM 1008 CA SER A 68 -16.652 -1.138 -3.842 1.00 0.00 C ATOM 1009 C SER A 68 -15.560 -1.669 -2.911 1.00 0.00 C ATOM 1010 O SER A 68 -15.837 -2.216 -1.862 1.00 0.00 O ATOM 1011 CB SER A 68 -18.024 -1.425 -3.231 1.00 0.00 C ATOM 1012 OG SER A 68 -18.950 -0.444 -3.677 1.00 0.00 O ATOM 0 H SER A 68 -16.179 -2.758 -5.149 1.00 0.00 H new ATOM 0 HA SER A 68 -16.527 -0.063 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.363 -2.420 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.960 -1.414 -2.143 1.00 0.00 H new ATOM 0 HG SER A 68 -18.649 -0.076 -4.534 1.00 0.00 H new ATOM 1018 N GLY A 69 -14.319 -1.509 -3.283 1.00 0.00 N ATOM 1019 CA GLY A 69 -13.212 -2.003 -2.415 1.00 0.00 C ATOM 1020 C GLY A 69 -11.926 -1.232 -2.744 1.00 0.00 C ATOM 1021 O GLY A 69 -11.251 -1.529 -3.710 1.00 0.00 O ATOM 0 H GLY A 69 -14.024 -1.058 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.471 -1.870 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.060 -3.071 -2.573 1.00 0.00 H new ATOM 1025 N SER A 70 -11.578 -0.243 -1.958 1.00 0.00 N ATOM 1026 CA SER A 70 -10.332 0.536 -2.248 1.00 0.00 C ATOM 1027 C SER A 70 -9.458 0.637 -0.984 1.00 0.00 C ATOM 1028 O SER A 70 -8.748 -0.275 -0.670 1.00 0.00 O ATOM 1029 CB SER A 70 -10.712 1.935 -2.734 1.00 0.00 C ATOM 1030 OG SER A 70 -11.393 1.831 -3.977 1.00 0.00 O ATOM 0 H SER A 70 -12.098 0.058 -1.134 1.00 0.00 H new ATOM 0 HA SER A 70 -9.761 0.024 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.347 2.428 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.818 2.549 -2.846 1.00 0.00 H new ATOM 0 HG SER A 70 -11.480 2.721 -4.378 1.00 0.00 H new ATOM 1036 N PHE A 71 -9.535 1.744 -0.274 1.00 0.00 N ATOM 1037 CA PHE A 71 -8.763 1.999 1.000 1.00 0.00 C ATOM 1038 C PHE A 71 -9.079 3.436 1.415 1.00 0.00 C ATOM 1039 O PHE A 71 -8.726 4.376 0.731 1.00 0.00 O ATOM 1040 CB PHE A 71 -7.217 1.892 0.870 1.00 0.00 C ATOM 1041 CG PHE A 71 -6.795 0.963 -0.224 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.847 1.369 -1.555 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -6.359 -0.324 0.104 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -6.465 0.484 -2.561 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -5.980 -1.210 -0.904 1.00 0.00 C ATOM 1046 CZ PHE A 71 -6.032 -0.807 -2.235 1.00 0.00 C ATOM 0 H PHE A 71 -10.135 2.525 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.065 1.233 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.803 2.882 0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.799 1.547 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.182 2.365 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.316 -0.632 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.503 0.795 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.647 -2.206 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.738 -1.491 -3.017 1.00 0.00 H new ATOM 1056 N ARG A 72 -9.703 3.625 2.540 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.992 5.007 3.005 1.00 0.00 C ATOM 1058 C ARG A 72 -9.046 5.257 4.161 1.00 0.00 C ATOM 1059 O ARG A 72 -9.270 6.083 5.025 1.00 0.00 O ATOM 1060 CB ARG A 72 -11.445 5.114 3.477 1.00 0.00 C ATOM 1061 CG ARG A 72 -12.322 5.593 2.319 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.781 4.389 1.494 1.00 0.00 C ATOM 1063 NE ARG A 72 -13.950 3.748 2.157 1.00 0.00 N ATOM 1064 CZ ARG A 72 -13.764 2.869 3.103 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -12.945 1.870 2.915 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -14.396 2.988 4.238 1.00 0.00 N ATOM 0 H ARG A 72 -10.026 2.882 3.159 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.856 5.737 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.794 4.146 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.517 5.809 4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.186 6.135 2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.765 6.287 1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.050 4.707 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.967 3.671 1.395 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.897 3.996 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.450 1.776 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.800 1.183 3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.036 3.768 4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.250 2.301 4.977 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.000 4.488 4.181 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.008 4.564 5.256 1.00 0.00 C ATOM 1082 C LEU A 73 -7.608 3.923 6.500 1.00 0.00 C ATOM 1083 O LEU A 73 -8.149 2.842 6.429 1.00 0.00 O ATOM 1084 CB LEU A 73 -6.567 6.002 5.543 1.00 0.00 C ATOM 1085 CG LEU A 73 -5.284 6.002 6.415 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -4.751 4.577 6.649 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -4.193 6.812 5.722 1.00 0.00 C ATOM 0 H LEU A 73 -7.794 3.789 3.467 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.110 4.030 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.379 6.527 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.365 6.540 6.056 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.545 6.442 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.852 4.621 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.510 3.984 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.513 4.116 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.293 6.810 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.971 6.368 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.535 7.837 5.582 1.00 0.00 H new ATOM 1099 N SER A 74 -7.507 4.539 7.642 1.00 0.00 N ATOM 1100 CA SER A 74 -8.060 3.893 8.853 1.00 0.00 C ATOM 1101 C SER A 74 -9.587 3.936 8.818 1.00 0.00 C ATOM 1102 O SER A 74 -10.192 4.294 7.827 1.00 0.00 O ATOM 1103 CB SER A 74 -7.556 4.619 10.101 1.00 0.00 C ATOM 1104 OG SER A 74 -6.154 4.416 10.229 1.00 0.00 O ATOM 0 H SER A 74 -7.071 5.450 7.786 1.00 0.00 H new ATOM 0 HA SER A 74 -7.732 2.854 8.881 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.776 5.684 10.030 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.071 4.246 10.986 1.00 0.00 H new ATOM 0 HG SER A 74 -5.828 4.882 11.027 1.00 0.00 H new ATOM 1110 N LYS A 75 -10.210 3.569 9.901 1.00 0.00 N ATOM 1111 CA LYS A 75 -11.701 3.578 9.954 1.00 0.00 C ATOM 1112 C LYS A 75 -12.192 4.976 10.336 1.00 0.00 C ATOM 1113 O LYS A 75 -11.456 5.678 11.009 1.00 0.00 O ATOM 1114 CB LYS A 75 -12.184 2.568 10.999 1.00 0.00 C ATOM 1115 CG LYS A 75 -11.735 3.017 12.392 1.00 0.00 C ATOM 1116 CD LYS A 75 -12.909 2.912 13.369 1.00 0.00 C ATOM 1117 CE LYS A 75 -12.390 3.011 14.805 1.00 0.00 C ATOM 1118 NZ LYS A 75 -11.997 4.418 15.098 1.00 0.00 N ATOM 1119 OXT LYS A 75 -13.298 5.318 9.951 1.00 0.00 O ATOM 0 H LYS A 75 -9.750 3.261 10.758 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.097 3.307 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.270 2.485 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.782 1.579 10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.907 2.397 12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.371 4.044 12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.629 3.707 13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.432 1.967 13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.160 2.685 15.504 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.535 2.348 14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.644 4.484 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.249 4.714 14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.823 5.040 14.986 1.00 0.00 H new TER 1133 LYS A 75