USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 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 9 LYS NZ :NH3+ -119:sc= -0.349 (180deg=-0.00282) USER MOD Set 1.2: A 52 ASN : amide:sc= -5.86! C(o=-6.2!,f=-6.6!) USER MOD Single : A 7 THR OG1 : rot 121:sc= -1.73! USER MOD Single : A 11 MET CE :methyl -179:sc= -1.33 (180deg=-1.34) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.361) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.0032) USER MOD Single : A 34 THR OG1 : rot -41:sc= -0.357 USER MOD Single : A 37 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-8.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 169:sc= 0 (180deg=-0.239) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -114:sc= -1.25 USER MOD Single : A 79 ASN : amide:sc= -3.4! K(o=-3.4!,f=-0.023) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 3.420 13.991 4.736 1.00 0.00 N ATOM 40 CA VAL A 4 2.528 12.966 5.270 1.00 0.00 C ATOM 41 C VAL A 4 2.745 11.637 4.547 1.00 0.00 C ATOM 42 O VAL A 4 2.360 11.485 3.387 1.00 0.00 O ATOM 43 CB VAL A 4 1.049 13.375 5.143 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.184 12.548 6.079 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.875 14.862 5.420 1.00 0.00 C ATOM 0 HA VAL A 4 2.766 12.853 6.328 1.00 0.00 H new ATOM 0 HB VAL A 4 0.727 13.181 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.858 12.851 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.281 11.492 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.507 12.706 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.177 15.129 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.216 15.086 6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.461 15.437 4.703 1.00 0.00 H new ATOM 55 N VAL A 5 3.365 10.678 5.233 1.00 0.00 N ATOM 56 CA VAL A 5 3.660 9.379 4.631 1.00 0.00 C ATOM 57 C VAL A 5 2.716 8.287 5.137 1.00 0.00 C ATOM 58 O VAL A 5 2.840 7.826 6.268 1.00 0.00 O ATOM 59 CB VAL A 5 5.115 8.951 4.918 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.379 7.545 4.398 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.092 9.944 4.309 1.00 0.00 C ATOM 0 H VAL A 5 3.671 10.775 6.201 1.00 0.00 H new ATOM 0 HA VAL A 5 3.517 9.498 3.557 1.00 0.00 H new ATOM 0 HB VAL A 5 5.262 8.943 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.411 7.266 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.704 6.843 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.212 7.518 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.113 9.627 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.942 9.987 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.922 10.931 4.738 1.00 0.00 H new ATOM 71 N ALA A 6 1.797 7.849 4.282 1.00 0.00 N ATOM 72 CA ALA A 6 0.873 6.775 4.638 1.00 0.00 C ATOM 73 C ALA A 6 1.387 5.440 4.106 1.00 0.00 C ATOM 74 O ALA A 6 1.920 5.375 3.001 1.00 0.00 O ATOM 75 CB ALA A 6 -0.519 7.069 4.100 1.00 0.00 C ATOM 0 H ALA A 6 1.672 8.219 3.340 1.00 0.00 H new ATOM 0 HA ALA A 6 0.811 6.713 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.194 6.258 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.883 8.004 4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.479 7.155 3.014 1.00 0.00 H new ATOM 81 N THR A 7 1.228 4.373 4.890 1.00 0.00 N ATOM 82 CA THR A 7 1.723 3.061 4.481 1.00 0.00 C ATOM 83 C THR A 7 0.614 2.011 4.441 1.00 0.00 C ATOM 84 O THR A 7 -0.170 1.852 5.391 1.00 0.00 O ATOM 85 CB THR A 7 2.846 2.598 5.403 1.00 0.00 C ATOM 86 OG1 THR A 7 3.807 3.623 5.580 1.00 0.00 O ATOM 87 CG2 THR A 7 3.568 1.369 4.890 1.00 0.00 C ATOM 0 H THR A 7 0.767 4.391 5.800 1.00 0.00 H new ATOM 0 HA THR A 7 2.110 3.170 3.468 1.00 0.00 H new ATOM 0 HB THR A 7 2.363 2.349 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.878 3.844 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.355 1.090 5.591 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.861 0.545 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.009 1.586 3.917 1.00 0.00 H new ATOM 95 N ILE A 8 0.608 1.270 3.335 1.00 0.00 N ATOM 96 CA ILE A 8 -0.383 0.236 3.067 1.00 0.00 C ATOM 97 C ILE A 8 0.300 -1.114 2.801 1.00 0.00 C ATOM 98 O ILE A 8 0.975 -1.277 1.786 1.00 0.00 O ATOM 99 CB ILE A 8 -1.214 0.633 1.831 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.588 2.120 1.886 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.450 -0.229 1.714 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.693 2.446 2.869 1.00 0.00 C ATOM 0 H ILE A 8 1.300 1.374 2.593 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.029 0.139 3.940 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.604 0.468 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.701 2.697 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.895 2.443 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.020 0.070 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.157 -1.274 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.066 -0.105 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.896 3.517 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.596 1.899 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.383 2.157 3.873 1.00 0.00 H new ATOM 114 N LYS A 9 0.177 -2.057 3.738 1.00 0.00 N ATOM 115 CA LYS A 9 0.830 -3.370 3.602 1.00 0.00 C ATOM 116 C LYS A 9 -0.136 -4.447 3.108 1.00 0.00 C ATOM 117 O LYS A 9 -0.836 -5.075 3.899 1.00 0.00 O ATOM 118 CB LYS A 9 1.441 -3.801 4.932 1.00 0.00 C ATOM 119 CG LYS A 9 1.641 -2.659 5.920 1.00 0.00 C ATOM 120 CD LYS A 9 3.042 -2.084 5.847 1.00 0.00 C ATOM 121 CE LYS A 9 4.008 -2.848 6.738 1.00 0.00 C ATOM 122 NZ LYS A 9 5.380 -2.271 6.694 1.00 0.00 N ATOM 0 H LYS A 9 -0.364 -1.942 4.595 1.00 0.00 H new ATOM 0 HA LYS A 9 1.616 -3.259 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.799 -4.554 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.403 -4.276 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.915 -1.872 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.448 -3.017 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.395 -2.115 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.022 -1.036 6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.642 -2.836 7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.043 -3.891 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.045 -2.985 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.388 -1.442 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.666 -1.983 7.651 1.00 0.00 H new ATOM 136 N VAL A 10 -0.141 -4.686 1.804 1.00 0.00 N ATOM 137 CA VAL A 10 -1.061 -5.658 1.201 1.00 0.00 C ATOM 138 C VAL A 10 -0.430 -7.047 1.074 1.00 0.00 C ATOM 139 O VAL A 10 0.724 -7.179 0.675 1.00 0.00 O ATOM 140 CB VAL A 10 -1.560 -5.174 -0.189 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.269 -3.689 -0.377 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.956 -5.982 -1.330 1.00 0.00 C ATOM 0 H VAL A 10 0.479 -4.224 1.138 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.914 -5.737 1.875 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.638 -5.331 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.626 -3.369 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.778 -3.117 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.195 -3.517 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.334 -5.607 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.130 -5.887 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.231 -7.031 -1.218 1.00 0.00 H new ATOM 152 N MET A 11 -1.199 -8.085 1.412 1.00 0.00 N ATOM 153 CA MET A 11 -0.711 -9.459 1.305 1.00 0.00 C ATOM 154 C MET A 11 -1.845 -10.441 0.961 1.00 0.00 C ATOM 155 O MET A 11 -2.829 -10.567 1.700 1.00 0.00 O ATOM 156 CB MET A 11 0.019 -9.875 2.597 1.00 0.00 C ATOM 157 CG MET A 11 -0.854 -10.574 3.631 1.00 0.00 C ATOM 158 SD MET A 11 0.011 -11.895 4.498 1.00 0.00 S ATOM 159 CE MET A 11 -0.457 -13.316 3.514 1.00 0.00 C ATOM 0 H MET A 11 -2.154 -8.000 1.759 1.00 0.00 H new ATOM 0 HA MET A 11 0.003 -9.497 0.482 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.845 -10.536 2.334 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.455 -8.986 3.053 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.208 -9.841 4.356 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.735 -10.985 3.138 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.011 -14.215 3.939 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.542 -13.415 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.102 -13.183 2.492 1.00 0.00 H new ATOM 169 N PRO A 12 -1.719 -11.154 -0.178 1.00 0.00 N ATOM 170 CA PRO A 12 -2.715 -12.135 -0.632 1.00 0.00 C ATOM 171 C PRO A 12 -2.742 -13.377 0.251 1.00 0.00 C ATOM 172 O PRO A 12 -1.729 -14.053 0.426 1.00 0.00 O ATOM 173 CB PRO A 12 -2.253 -12.499 -2.054 1.00 0.00 C ATOM 174 CG PRO A 12 -1.281 -11.432 -2.421 1.00 0.00 C ATOM 175 CD PRO A 12 -0.615 -11.044 -1.135 1.00 0.00 C ATOM 0 HA PRO A 12 -3.726 -11.730 -0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.787 -13.484 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.093 -12.526 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.553 -11.795 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.786 -10.579 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.210 -11.711 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.208 -10.034 -1.174 1.00 0.00 H new ATOM 183 N GLU A 13 -3.908 -13.652 0.818 1.00 0.00 N ATOM 184 CA GLU A 13 -4.093 -14.801 1.695 1.00 0.00 C ATOM 185 C GLU A 13 -3.719 -16.098 0.990 1.00 0.00 C ATOM 186 O GLU A 13 -3.292 -17.061 1.628 1.00 0.00 O ATOM 187 CB GLU A 13 -5.544 -14.872 2.174 1.00 0.00 C ATOM 188 CG GLU A 13 -5.712 -14.553 3.652 1.00 0.00 C ATOM 189 CD GLU A 13 -6.876 -13.621 3.920 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.919 -12.534 3.306 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.745 -13.978 4.743 1.00 0.00 O ATOM 0 H GLU A 13 -4.748 -13.089 0.685 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.434 -14.676 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.146 -14.176 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.934 -15.871 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.860 -15.480 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.795 -14.100 4.028 1.00 0.00 H new ATOM 198 N SER A 14 -3.908 -16.127 -0.324 1.00 0.00 N ATOM 199 CA SER A 14 -3.595 -17.310 -1.111 1.00 0.00 C ATOM 200 C SER A 14 -2.096 -17.421 -1.357 1.00 0.00 C ATOM 201 O SER A 14 -1.400 -16.409 -1.452 1.00 0.00 O ATOM 202 CB SER A 14 -4.344 -17.274 -2.445 1.00 0.00 C ATOM 203 OG SER A 14 -5.741 -17.151 -2.243 1.00 0.00 O ATOM 0 H SER A 14 -4.276 -15.345 -0.865 1.00 0.00 H new ATOM 0 HA SER A 14 -3.916 -18.186 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.985 -16.437 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.134 -18.183 -3.008 1.00 0.00 H new ATOM 0 HG SER A 14 -6.196 -17.129 -3.111 1.00 0.00 H new ATOM 209 N PRO A 15 -1.573 -18.655 -1.469 1.00 0.00 N ATOM 210 CA PRO A 15 -0.149 -18.884 -1.718 1.00 0.00 C ATOM 211 C PRO A 15 0.277 -18.373 -3.088 1.00 0.00 C ATOM 212 O PRO A 15 1.461 -18.371 -3.423 1.00 0.00 O ATOM 213 CB PRO A 15 -0.006 -20.407 -1.640 1.00 0.00 C ATOM 214 CG PRO A 15 -1.368 -20.933 -1.933 1.00 0.00 C ATOM 215 CD PRO A 15 -2.329 -19.919 -1.379 1.00 0.00 C ATOM 0 HA PRO A 15 0.482 -18.355 -1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.723 -20.773 -2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.336 -20.722 -0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.514 -21.064 -3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.518 -21.908 -1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.251 -19.879 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.609 -20.149 -0.351 1.00 0.00 H new ATOM 223 N ASP A 16 -0.703 -17.944 -3.878 1.00 0.00 N ATOM 224 CA ASP A 16 -0.440 -17.411 -5.207 1.00 0.00 C ATOM 225 C ASP A 16 -0.253 -15.900 -5.149 1.00 0.00 C ATOM 226 O ASP A 16 -0.662 -15.177 -6.057 1.00 0.00 O ATOM 227 CB ASP A 16 -1.588 -17.761 -6.155 1.00 0.00 C ATOM 228 CG ASP A 16 -2.945 -17.428 -5.567 1.00 0.00 C ATOM 229 OD1 ASP A 16 -3.200 -16.236 -5.299 1.00 0.00 O ATOM 230 OD2 ASP A 16 -3.753 -18.361 -5.373 1.00 0.00 O ATOM 0 H ASP A 16 -1.689 -17.956 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 16 0.478 -17.862 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.459 -17.221 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.549 -18.824 -6.392 1.00 0.00 H new ATOM 235 N VAL A 17 0.355 -15.429 -4.065 1.00 0.00 N ATOM 236 CA VAL A 17 0.591 -14.004 -3.885 1.00 0.00 C ATOM 237 C VAL A 17 1.611 -13.503 -4.913 1.00 0.00 C ATOM 238 O VAL A 17 2.823 -13.550 -4.701 1.00 0.00 O ATOM 239 CB VAL A 17 1.016 -13.655 -2.426 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.493 -14.886 -1.685 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.060 -12.544 -2.359 1.00 0.00 C ATOM 0 H VAL A 17 0.692 -16.013 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.351 -13.484 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 17 0.122 -13.275 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.782 -14.611 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.689 -15.621 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.351 -15.313 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.315 -12.347 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.955 -12.853 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.657 -11.638 -2.812 1.00 0.00 H new ATOM 251 N ASP A 18 1.096 -13.120 -6.076 1.00 0.00 N ATOM 252 CA ASP A 18 1.927 -12.594 -7.153 1.00 0.00 C ATOM 253 C ASP A 18 2.501 -11.250 -6.753 1.00 0.00 C ATOM 254 O ASP A 18 1.792 -10.250 -6.702 1.00 0.00 O ATOM 255 CB ASP A 18 1.114 -12.461 -8.439 1.00 0.00 C ATOM 256 CG ASP A 18 1.019 -13.767 -9.202 1.00 0.00 C ATOM 257 OD1 ASP A 18 0.424 -14.726 -8.667 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.544 -13.833 -10.333 1.00 0.00 O ATOM 0 H ASP A 18 0.101 -13.164 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 18 2.747 -13.289 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.110 -12.112 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.570 -11.703 -9.077 1.00 0.00 H new ATOM 263 N LEU A 19 3.783 -11.251 -6.428 1.00 0.00 N ATOM 264 CA LEU A 19 4.463 -10.049 -5.982 1.00 0.00 C ATOM 265 C LEU A 19 4.434 -8.960 -7.041 1.00 0.00 C ATOM 266 O LEU A 19 3.998 -7.840 -6.776 1.00 0.00 O ATOM 267 CB LEU A 19 5.918 -10.384 -5.631 1.00 0.00 C ATOM 268 CG LEU A 19 6.462 -9.718 -4.367 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.484 -8.204 -4.528 1.00 0.00 C ATOM 270 CD2 LEU A 19 5.637 -10.123 -3.156 1.00 0.00 C ATOM 0 H LEU A 19 4.377 -12.079 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 19 3.940 -9.675 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.006 -11.464 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.551 -10.099 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 19 7.486 -10.057 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.874 -7.747 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.122 -7.937 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.472 -7.843 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.038 -9.640 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.602 -9.815 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.679 -11.205 -3.032 1.00 0.00 H new ATOM 282 N GLU A 20 4.895 -9.289 -8.241 1.00 0.00 N ATOM 283 CA GLU A 20 4.965 -8.306 -9.315 1.00 0.00 C ATOM 284 C GLU A 20 3.580 -7.946 -9.818 1.00 0.00 C ATOM 285 O GLU A 20 3.332 -6.803 -10.201 1.00 0.00 O ATOM 286 CB GLU A 20 5.819 -8.819 -10.463 1.00 0.00 C ATOM 287 CG GLU A 20 5.199 -9.987 -11.201 1.00 0.00 C ATOM 288 CD GLU A 20 5.838 -11.315 -10.844 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.032 -11.502 -11.159 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.144 -12.166 -10.250 1.00 0.00 O ATOM 0 H GLU A 20 5.224 -10.221 -8.494 1.00 0.00 H new ATOM 0 HA GLU A 20 5.428 -7.407 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.994 -8.006 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.792 -9.120 -10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.134 -10.029 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.290 -9.822 -12.275 1.00 0.00 H new ATOM 297 N ALA A 21 2.674 -8.914 -9.816 1.00 0.00 N ATOM 298 CA ALA A 21 1.311 -8.638 -10.226 1.00 0.00 C ATOM 299 C ALA A 21 0.648 -7.747 -9.195 1.00 0.00 C ATOM 300 O ALA A 21 -0.131 -6.855 -9.531 1.00 0.00 O ATOM 301 CB ALA A 21 0.524 -9.922 -10.427 1.00 0.00 C ATOM 0 H ALA A 21 2.856 -9.879 -9.540 1.00 0.00 H new ATOM 0 HA ALA A 21 1.329 -8.121 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.494 -9.681 -10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.002 -10.525 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.498 -10.483 -9.493 1.00 0.00 H new ATOM 307 N LEU A 22 1.003 -7.974 -7.937 1.00 0.00 N ATOM 308 CA LEU A 22 0.506 -7.149 -6.851 1.00 0.00 C ATOM 309 C LEU A 22 1.033 -5.737 -7.018 1.00 0.00 C ATOM 310 O LEU A 22 0.338 -4.763 -6.741 1.00 0.00 O ATOM 311 CB LEU A 22 0.935 -7.714 -5.489 1.00 0.00 C ATOM 312 CG LEU A 22 -0.005 -7.405 -4.311 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.420 -7.096 -4.786 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.022 -8.563 -3.327 1.00 0.00 C ATOM 0 H LEU A 22 1.633 -8.722 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.584 -7.143 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.030 -8.796 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.925 -7.325 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 22 0.379 -6.517 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.054 -6.883 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.401 -6.229 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.818 -7.955 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.692 -8.328 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.371 -9.464 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.984 -8.729 -2.943 1.00 0.00 H new ATOM 326 N LYS A 23 2.262 -5.649 -7.510 1.00 0.00 N ATOM 327 CA LYS A 23 2.901 -4.371 -7.768 1.00 0.00 C ATOM 328 C LYS A 23 2.033 -3.524 -8.690 1.00 0.00 C ATOM 329 O LYS A 23 1.780 -2.351 -8.419 1.00 0.00 O ATOM 330 CB LYS A 23 4.272 -4.596 -8.416 1.00 0.00 C ATOM 331 CG LYS A 23 5.450 -4.386 -7.479 1.00 0.00 C ATOM 332 CD LYS A 23 5.926 -5.692 -6.869 1.00 0.00 C ATOM 333 CE LYS A 23 7.438 -5.715 -6.715 1.00 0.00 C ATOM 334 NZ LYS A 23 7.950 -4.475 -6.071 1.00 0.00 N ATOM 0 H LYS A 23 2.839 -6.458 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 23 3.030 -3.846 -6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.312 -5.612 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.374 -3.921 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.270 -3.920 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.164 -3.697 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.458 -5.832 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.610 -6.525 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.729 -6.580 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.901 -5.833 -7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.882 -4.662 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.037 -3.724 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.289 -4.171 -5.328 1.00 0.00 H new ATOM 348 N LYS A 24 1.587 -4.129 -9.788 1.00 0.00 N ATOM 349 CA LYS A 24 0.748 -3.428 -10.753 1.00 0.00 C ATOM 350 C LYS A 24 -0.618 -3.104 -10.159 1.00 0.00 C ATOM 351 O LYS A 24 -1.181 -2.041 -10.423 1.00 0.00 O ATOM 352 CB LYS A 24 0.581 -4.254 -12.029 1.00 0.00 C ATOM 353 CG LYS A 24 1.806 -5.082 -12.387 1.00 0.00 C ATOM 354 CD LYS A 24 1.761 -5.545 -13.835 1.00 0.00 C ATOM 355 CE LYS A 24 1.233 -6.965 -13.949 1.00 0.00 C ATOM 356 NZ LYS A 24 -0.096 -7.011 -14.619 1.00 0.00 N ATOM 0 H LYS A 24 1.792 -5.098 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 24 1.246 -2.492 -11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.274 -4.919 -11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.352 -3.584 -12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.707 -4.492 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.866 -5.948 -11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.128 -4.873 -14.414 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.761 -5.492 -14.266 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.943 -7.573 -14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.154 -7.404 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.421 -7.997 -14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.781 -6.452 -14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.015 -6.616 -15.578 1.00 0.00 H new ATOM 370 N GLU A 25 -1.165 -4.038 -9.386 1.00 0.00 N ATOM 371 CA GLU A 25 -2.460 -3.829 -8.749 1.00 0.00 C ATOM 372 C GLU A 25 -2.361 -2.721 -7.710 1.00 0.00 C ATOM 373 O GLU A 25 -3.321 -1.999 -7.451 1.00 0.00 O ATOM 374 CB GLU A 25 -2.950 -5.121 -8.090 1.00 0.00 C ATOM 375 CG GLU A 25 -3.186 -6.255 -9.075 1.00 0.00 C ATOM 376 CD GLU A 25 -4.512 -6.955 -8.854 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.538 -6.256 -8.727 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.523 -8.203 -8.808 1.00 0.00 O ATOM 0 H GLU A 25 -0.734 -4.941 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.177 -3.535 -9.515 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.218 -5.441 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.877 -4.917 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.152 -5.861 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.378 -6.981 -8.988 1.00 0.00 H new ATOM 385 N ILE A 26 -1.196 -2.625 -7.094 1.00 0.00 N ATOM 386 CA ILE A 26 -0.936 -1.600 -6.100 1.00 0.00 C ATOM 387 C ILE A 26 -1.012 -0.225 -6.742 1.00 0.00 C ATOM 388 O ILE A 26 -1.510 0.729 -6.149 1.00 0.00 O ATOM 389 CB ILE A 26 0.450 -1.800 -5.445 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.315 -2.662 -4.190 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.093 -0.463 -5.106 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.382 -3.726 -4.072 1.00 0.00 C ATOM 0 H ILE A 26 -0.409 -3.251 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.695 -1.679 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 26 1.097 -2.311 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.356 -2.019 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.665 -3.140 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.067 -0.634 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.219 0.122 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.454 0.082 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.225 -4.299 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.328 -4.393 -4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.364 -3.254 -4.039 1.00 0.00 H new ATOM 404 N GLN A 27 -0.508 -0.146 -7.963 1.00 0.00 N ATOM 405 CA GLN A 27 -0.494 1.093 -8.718 1.00 0.00 C ATOM 406 C GLN A 27 -1.903 1.627 -8.920 1.00 0.00 C ATOM 407 O GLN A 27 -2.144 2.830 -8.823 1.00 0.00 O ATOM 408 CB GLN A 27 0.164 0.847 -10.075 1.00 0.00 C ATOM 409 CG GLN A 27 1.141 1.929 -10.495 1.00 0.00 C ATOM 410 CD GLN A 27 0.483 3.286 -10.651 1.00 0.00 C ATOM 411 OE1 GLN A 27 0.037 3.653 -11.739 1.00 0.00 O ATOM 412 NE2 GLN A 27 0.423 4.040 -9.560 1.00 0.00 N ATOM 0 H GLN A 27 -0.098 -0.939 -8.457 1.00 0.00 H new ATOM 0 HA GLN A 27 0.073 1.836 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.688 -0.109 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.614 0.760 -10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.938 2.000 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.607 1.645 -11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.806 3.695 -8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.006 4.965 -9.602 1.00 0.00 H new ATOM 421 N GLU A 28 -2.821 0.728 -9.254 1.00 0.00 N ATOM 422 CA GLU A 28 -4.206 1.115 -9.507 1.00 0.00 C ATOM 423 C GLU A 28 -4.971 1.351 -8.213 1.00 0.00 C ATOM 424 O GLU A 28 -6.003 2.020 -8.203 1.00 0.00 O ATOM 425 CB GLU A 28 -4.904 0.052 -10.343 1.00 0.00 C ATOM 426 CG GLU A 28 -5.072 -1.268 -9.626 1.00 0.00 C ATOM 427 CD GLU A 28 -6.511 -1.549 -9.242 1.00 0.00 C ATOM 428 OE1 GLU A 28 -6.951 -1.052 -8.184 1.00 0.00 O ATOM 429 OE2 GLU A 28 -7.199 -2.265 -10.000 1.00 0.00 O ATOM 0 H GLU A 28 -2.634 -0.270 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.191 2.055 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.885 0.422 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.334 -0.111 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.708 -2.072 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.454 -1.270 -8.728 1.00 0.00 H new ATOM 436 N ARG A 29 -4.470 0.775 -7.129 1.00 0.00 N ATOM 437 CA ARG A 29 -5.125 0.896 -5.834 1.00 0.00 C ATOM 438 C ARG A 29 -4.636 2.127 -5.075 1.00 0.00 C ATOM 439 O ARG A 29 -5.181 2.473 -4.027 1.00 0.00 O ATOM 440 CB ARG A 29 -4.889 -0.372 -5.006 1.00 0.00 C ATOM 441 CG ARG A 29 -3.591 -0.359 -4.216 1.00 0.00 C ATOM 442 CD ARG A 29 -3.634 -1.351 -3.067 1.00 0.00 C ATOM 443 NE ARG A 29 -2.372 -1.394 -2.334 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.898 -0.377 -1.620 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.576 0.760 -1.538 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.741 -0.499 -0.985 1.00 0.00 N ATOM 0 H ARG A 29 -3.614 0.220 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.195 1.016 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.722 -0.503 -4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.889 -1.234 -5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.758 -0.600 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.409 0.643 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.440 -1.081 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.863 -2.344 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.823 -2.253 -2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.467 0.859 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.206 1.536 -0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.216 -1.372 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.376 0.280 -0.437 1.00 0.00 H new ATOM 460 N ILE A 30 -3.599 2.776 -5.599 1.00 0.00 N ATOM 461 CA ILE A 30 -3.051 3.971 -4.960 1.00 0.00 C ATOM 462 C ILE A 30 -4.108 5.073 -4.862 1.00 0.00 C ATOM 463 O ILE A 30 -4.853 5.311 -5.812 1.00 0.00 O ATOM 464 CB ILE A 30 -1.821 4.513 -5.721 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.652 3.529 -5.607 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.422 5.895 -5.202 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.008 3.491 -4.237 1.00 0.00 C ATOM 0 H ILE A 30 -3.124 2.498 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.739 3.677 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.085 4.617 -6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.007 2.529 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.105 3.793 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.554 6.254 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.252 6.589 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.176 5.829 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.810 2.771 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.379 4.479 -3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.749 3.196 -3.495 1.00 0.00 H new ATOM 479 N PRO A 31 -4.179 5.770 -3.710 1.00 0.00 N ATOM 480 CA PRO A 31 -5.131 6.864 -3.499 1.00 0.00 C ATOM 481 C PRO A 31 -5.126 7.864 -4.653 1.00 0.00 C ATOM 482 O PRO A 31 -4.109 8.497 -4.937 1.00 0.00 O ATOM 483 CB PRO A 31 -4.640 7.535 -2.205 1.00 0.00 C ATOM 484 CG PRO A 31 -3.299 6.941 -1.928 1.00 0.00 C ATOM 485 CD PRO A 31 -3.333 5.569 -2.528 1.00 0.00 C ATOM 0 HA PRO A 31 -6.157 6.500 -3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.572 8.616 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.329 7.349 -1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.505 7.543 -2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.105 6.895 -0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.337 5.216 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.758 4.835 -1.843 1.00 0.00 H new ATOM 493 N GLU A 32 -6.268 7.983 -5.325 1.00 0.00 N ATOM 494 CA GLU A 32 -6.414 8.890 -6.463 1.00 0.00 C ATOM 495 C GLU A 32 -6.139 10.347 -6.086 1.00 0.00 C ATOM 496 O GLU A 32 -6.234 11.238 -6.931 1.00 0.00 O ATOM 497 CB GLU A 32 -7.822 8.767 -7.053 1.00 0.00 C ATOM 498 CG GLU A 32 -7.864 8.028 -8.380 1.00 0.00 C ATOM 499 CD GLU A 32 -7.722 8.956 -9.568 1.00 0.00 C ATOM 500 OE1 GLU A 32 -6.755 9.747 -9.593 1.00 0.00 O ATOM 501 OE2 GLU A 32 -8.576 8.893 -10.477 1.00 0.00 O ATOM 0 H GLU A 32 -7.113 7.458 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.671 8.598 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.462 8.250 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.238 9.765 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.065 7.287 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.805 7.484 -8.459 1.00 0.00 H new ATOM 508 N GLY A 33 -5.793 10.589 -4.825 1.00 0.00 N ATOM 509 CA GLY A 33 -5.533 11.947 -4.379 1.00 0.00 C ATOM 510 C GLY A 33 -4.126 12.413 -4.706 1.00 0.00 C ATOM 511 O GLY A 33 -3.943 13.356 -5.474 1.00 0.00 O ATOM 0 H GLY A 33 -5.688 9.873 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.252 12.621 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.690 12.007 -3.302 1.00 0.00 H new ATOM 515 N THR A 34 -3.131 11.758 -4.114 1.00 0.00 N ATOM 516 CA THR A 34 -1.737 12.122 -4.343 1.00 0.00 C ATOM 517 C THR A 34 -1.014 11.047 -5.156 1.00 0.00 C ATOM 518 O THR A 34 -1.535 10.565 -6.162 1.00 0.00 O ATOM 519 CB THR A 34 -1.027 12.345 -3.004 1.00 0.00 C ATOM 520 OG1 THR A 34 -1.943 12.793 -2.021 1.00 0.00 O ATOM 521 CG2 THR A 34 0.099 13.353 -3.079 1.00 0.00 C ATOM 0 H THR A 34 -3.264 10.975 -3.474 1.00 0.00 H new ATOM 0 HA THR A 34 -1.715 13.049 -4.917 1.00 0.00 H new ATOM 0 HB THR A 34 -0.603 11.376 -2.738 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.555 13.447 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.557 13.461 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.848 13.009 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.296 14.316 -3.403 1.00 0.00 H new ATOM 529 N GLU A 35 0.187 10.678 -4.716 1.00 0.00 N ATOM 530 CA GLU A 35 0.979 9.668 -5.403 1.00 0.00 C ATOM 531 C GLU A 35 1.646 8.736 -4.402 1.00 0.00 C ATOM 532 O GLU A 35 1.625 8.983 -3.196 1.00 0.00 O ATOM 533 CB GLU A 35 2.040 10.332 -6.281 1.00 0.00 C ATOM 534 CG GLU A 35 2.935 11.303 -5.526 1.00 0.00 C ATOM 535 CD GLU A 35 3.732 12.202 -6.450 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.219 13.278 -6.821 1.00 0.00 O ATOM 537 OE2 GLU A 35 4.870 11.829 -6.804 1.00 0.00 O ATOM 0 H GLU A 35 0.631 11.066 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 35 0.311 9.082 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.659 9.559 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.546 10.864 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.322 11.918 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.621 10.741 -4.892 1.00 0.00 H new ATOM 544 N LEU A 36 2.242 7.669 -4.913 1.00 0.00 N ATOM 545 CA LEU A 36 2.909 6.688 -4.067 1.00 0.00 C ATOM 546 C LEU A 36 4.244 7.225 -3.553 1.00 0.00 C ATOM 547 O LEU A 36 4.603 8.376 -3.805 1.00 0.00 O ATOM 548 CB LEU A 36 3.131 5.382 -4.837 1.00 0.00 C ATOM 549 CG LEU A 36 3.476 5.552 -6.319 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.571 4.579 -6.727 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.238 5.353 -7.179 1.00 0.00 C ATOM 0 H LEU A 36 2.278 7.459 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 36 2.265 6.490 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.935 4.826 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.230 4.774 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 36 3.844 6.567 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.803 4.714 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.465 4.767 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.231 3.557 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.501 5.477 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.842 4.350 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.482 6.089 -6.905 1.00 0.00 H new ATOM 563 N HIS A 37 4.963 6.390 -2.809 1.00 0.00 N ATOM 564 CA HIS A 37 6.253 6.771 -2.244 1.00 0.00 C ATOM 565 C HIS A 37 7.306 5.712 -2.523 1.00 0.00 C ATOM 566 O HIS A 37 8.187 5.891 -3.366 1.00 0.00 O ATOM 567 CB HIS A 37 6.124 6.956 -0.736 1.00 0.00 C ATOM 568 CG HIS A 37 7.401 7.363 -0.068 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.915 8.629 -0.210 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.227 6.634 0.721 1.00 0.00 C ATOM 571 CE1 HIS A 37 9.033 8.646 0.494 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.262 7.460 1.074 1.00 0.00 N ATOM 0 H HIS A 37 4.672 5.439 -2.582 1.00 0.00 H new ATOM 0 HA HIS A 37 6.561 7.706 -2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.363 7.710 -0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.774 6.024 -0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.095 5.603 1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.680 9.506 0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.056 7.218 1.666 1.00 0.00 H new ATOM 580 N LYS A 38 7.186 4.602 -1.811 1.00 0.00 N ATOM 581 CA LYS A 38 8.127 3.500 -1.927 1.00 0.00 C ATOM 582 C LYS A 38 7.527 2.233 -1.320 1.00 0.00 C ATOM 583 O LYS A 38 7.043 2.243 -0.187 1.00 0.00 O ATOM 584 CB LYS A 38 9.448 3.878 -1.238 1.00 0.00 C ATOM 585 CG LYS A 38 9.942 2.874 -0.206 1.00 0.00 C ATOM 586 CD LYS A 38 10.668 1.711 -0.862 1.00 0.00 C ATOM 587 CE LYS A 38 11.732 1.132 0.056 1.00 0.00 C ATOM 588 NZ LYS A 38 12.974 1.954 0.055 1.00 0.00 N ATOM 0 H LYS A 38 6.436 4.440 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 38 8.332 3.302 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.217 4.001 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.324 4.846 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.611 3.372 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.097 2.498 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.950 0.934 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.130 2.046 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.340 1.068 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.969 0.116 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.674 1.525 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.363 1.994 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.753 2.917 0.380 1.00 0.00 H new ATOM 602 N ILE A 39 7.516 1.159 -2.103 1.00 0.00 N ATOM 603 CA ILE A 39 6.922 -0.099 -1.671 1.00 0.00 C ATOM 604 C ILE A 39 7.953 -1.041 -1.055 1.00 0.00 C ATOM 605 O ILE A 39 9.147 -0.946 -1.337 1.00 0.00 O ATOM 606 CB ILE A 39 6.221 -0.811 -2.838 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.449 0.212 -3.682 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.294 -1.895 -2.306 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.451 -0.403 -4.639 1.00 0.00 C ATOM 0 H ILE A 39 7.913 1.136 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 39 6.188 0.155 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 39 6.967 -1.287 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.923 0.894 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.162 0.809 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.801 -2.394 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.874 -2.623 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.542 -1.445 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.948 0.387 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.971 -1.063 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.714 -0.976 -4.077 1.00 0.00 H new ATOM 621 N ASP A 40 7.472 -1.967 -0.227 1.00 0.00 N ATOM 622 CA ASP A 40 8.331 -2.924 0.449 1.00 0.00 C ATOM 623 C ASP A 40 7.926 -4.358 0.128 1.00 0.00 C ATOM 624 O ASP A 40 6.780 -4.748 0.335 1.00 0.00 O ATOM 625 CB ASP A 40 8.239 -2.711 1.952 1.00 0.00 C ATOM 626 CG ASP A 40 8.734 -1.344 2.381 1.00 0.00 C ATOM 627 OD1 ASP A 40 9.685 -0.833 1.754 1.00 0.00 O ATOM 628 OD2 ASP A 40 8.174 -0.787 3.349 1.00 0.00 O ATOM 0 H ASP A 40 6.481 -2.071 -0.010 1.00 0.00 H new ATOM 0 HA ASP A 40 9.352 -2.766 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.204 -2.834 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.821 -3.480 2.460 1.00 0.00 H new ATOM 633 N GLU A 41 8.868 -5.139 -0.379 1.00 0.00 N ATOM 634 CA GLU A 41 8.613 -6.544 -0.672 1.00 0.00 C ATOM 635 C GLU A 41 8.942 -7.394 0.550 1.00 0.00 C ATOM 636 O GLU A 41 9.913 -8.152 0.550 1.00 0.00 O ATOM 637 CB GLU A 41 9.445 -7.000 -1.874 1.00 0.00 C ATOM 638 CG GLU A 41 9.457 -6.000 -3.019 1.00 0.00 C ATOM 639 CD GLU A 41 10.851 -5.493 -3.335 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.811 -6.285 -3.227 1.00 0.00 O ATOM 641 OE2 GLU A 41 10.983 -4.303 -3.691 1.00 0.00 O ATOM 0 H GLU A 41 9.814 -4.826 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 41 7.558 -6.667 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.470 -7.180 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.054 -7.951 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.034 -6.466 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.816 -5.156 -2.766 1.00 0.00 H new ATOM 648 N GLU A 42 8.167 -7.212 1.614 1.00 0.00 N ATOM 649 CA GLU A 42 8.406 -7.922 2.864 1.00 0.00 C ATOM 650 C GLU A 42 7.504 -9.139 2.996 1.00 0.00 C ATOM 651 O GLU A 42 6.375 -9.134 2.522 1.00 0.00 O ATOM 652 CB GLU A 42 8.207 -6.983 4.048 1.00 0.00 C ATOM 653 CG GLU A 42 9.511 -6.472 4.637 1.00 0.00 C ATOM 654 CD GLU A 42 10.630 -6.386 3.616 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.535 -5.546 2.698 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.605 -7.160 3.736 1.00 0.00 O ATOM 0 H GLU A 42 7.368 -6.578 1.635 1.00 0.00 H new ATOM 0 HA GLU A 42 9.438 -8.274 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.602 -6.133 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.645 -7.503 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.346 -5.486 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.818 -7.130 5.450 1.00 0.00 H new ATOM 663 N PRO A 43 7.998 -10.206 3.647 1.00 0.00 N ATOM 664 CA PRO A 43 7.264 -11.450 3.804 1.00 0.00 C ATOM 665 C PRO A 43 6.405 -11.485 5.059 1.00 0.00 C ATOM 666 O PRO A 43 6.622 -10.722 6.001 1.00 0.00 O ATOM 667 CB PRO A 43 8.369 -12.507 3.876 1.00 0.00 C ATOM 668 CG PRO A 43 9.646 -11.772 4.184 1.00 0.00 C ATOM 669 CD PRO A 43 9.332 -10.297 4.243 1.00 0.00 C ATOM 0 HA PRO A 43 6.557 -11.602 2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.150 -13.245 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.451 -13.047 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.062 -12.111 5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.395 -11.972 3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.340 -9.926 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.061 -9.709 3.686 1.00 0.00 H new ATOM 677 N ILE A 44 5.416 -12.371 5.048 1.00 0.00 N ATOM 678 CA ILE A 44 4.481 -12.500 6.156 1.00 0.00 C ATOM 679 C ILE A 44 4.364 -13.951 6.612 1.00 0.00 C ATOM 680 O ILE A 44 5.008 -14.363 7.578 1.00 0.00 O ATOM 681 CB ILE A 44 3.090 -11.978 5.758 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.232 -10.792 4.796 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.293 -11.584 6.995 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.846 -9.560 5.435 1.00 0.00 C ATOM 0 H ILE A 44 5.241 -13.015 4.277 1.00 0.00 H new ATOM 0 HA ILE A 44 4.868 -11.902 6.981 1.00 0.00 H new ATOM 0 HB ILE A 44 2.546 -12.773 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.846 -11.095 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.249 -10.535 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.312 -11.217 6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.173 -12.453 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.824 -10.800 7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.915 -8.763 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.221 -9.231 6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.843 -9.800 5.804 1.00 0.00 H new ATOM 696 N ALA A 45 3.536 -14.722 5.912 1.00 0.00 N ATOM 697 CA ALA A 45 3.341 -16.131 6.236 1.00 0.00 C ATOM 698 C ALA A 45 4.613 -16.931 5.968 1.00 0.00 C ATOM 699 O ALA A 45 5.718 -16.388 6.001 1.00 0.00 O ATOM 700 CB ALA A 45 2.175 -16.696 5.440 1.00 0.00 C ATOM 0 H ALA A 45 2.989 -14.394 5.116 1.00 0.00 H new ATOM 0 HA ALA A 45 3.110 -16.212 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.039 -17.748 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.267 -16.145 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.382 -16.601 4.374 1.00 0.00 H new ATOM 706 N PHE A 46 4.455 -18.221 5.690 1.00 0.00 N ATOM 707 CA PHE A 46 5.596 -19.082 5.413 1.00 0.00 C ATOM 708 C PHE A 46 6.195 -18.765 4.047 1.00 0.00 C ATOM 709 O PHE A 46 7.380 -19.001 3.807 1.00 0.00 O ATOM 710 CB PHE A 46 5.180 -20.554 5.477 1.00 0.00 C ATOM 711 CG PHE A 46 5.233 -21.133 6.862 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.191 -20.929 7.753 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.327 -21.877 7.275 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.239 -21.459 9.029 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.380 -22.409 8.550 1.00 0.00 C ATOM 716 CZ PHE A 46 5.334 -22.200 9.428 1.00 0.00 C ATOM 0 H PHE A 46 3.550 -18.691 5.651 1.00 0.00 H new ATOM 0 HA PHE A 46 6.355 -18.896 6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.166 -20.654 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.830 -21.136 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.332 -20.350 7.447 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.148 -22.043 6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.420 -21.294 9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.238 -22.987 8.859 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.373 -22.615 10.424 1.00 0.00 H new ATOM 726 N GLY A 47 5.373 -18.204 3.161 1.00 0.00 N ATOM 727 CA GLY A 47 5.846 -17.860 1.830 1.00 0.00 C ATOM 728 C GLY A 47 5.056 -16.732 1.184 1.00 0.00 C ATOM 729 O GLY A 47 5.298 -16.390 0.027 1.00 0.00 O ATOM 0 H GLY A 47 4.394 -17.983 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.896 -17.572 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.792 -18.743 1.193 1.00 0.00 H new ATOM 733 N LEU A 48 4.107 -16.159 1.921 1.00 0.00 N ATOM 734 CA LEU A 48 3.287 -15.070 1.396 1.00 0.00 C ATOM 735 C LEU A 48 3.898 -13.712 1.733 1.00 0.00 C ATOM 736 O LEU A 48 3.855 -13.268 2.880 1.00 0.00 O ATOM 737 CB LEU A 48 1.857 -15.163 1.944 1.00 0.00 C ATOM 738 CG LEU A 48 1.254 -16.574 1.991 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.261 -16.503 2.132 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.633 -17.374 0.753 1.00 0.00 C ATOM 0 H LEU A 48 3.887 -16.429 2.880 1.00 0.00 H new ATOM 0 HA LEU A 48 3.253 -15.167 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.846 -14.749 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.211 -14.532 1.333 1.00 0.00 H new ATOM 0 HG LEU A 48 1.663 -17.085 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.671 -17.512 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.517 -15.978 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.681 -15.967 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.192 -18.369 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.261 -16.866 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.718 -17.461 0.694 1.00 0.00 H new ATOM 752 N VAL A 49 4.462 -13.057 0.721 1.00 0.00 N ATOM 753 CA VAL A 49 5.116 -11.766 0.904 1.00 0.00 C ATOM 754 C VAL A 49 4.170 -10.600 0.615 1.00 0.00 C ATOM 755 O VAL A 49 3.550 -10.535 -0.447 1.00 0.00 O ATOM 756 CB VAL A 49 6.363 -11.652 -0.002 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.902 -10.227 -0.030 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.439 -12.625 0.455 1.00 0.00 C ATOM 0 H VAL A 49 4.478 -13.402 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 49 5.418 -11.709 1.950 1.00 0.00 H new ATOM 0 HB VAL A 49 6.065 -11.911 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.779 -10.182 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.134 -9.555 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.179 -9.923 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.311 -12.533 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.724 -12.396 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.054 -13.644 0.403 1.00 0.00 H new ATOM 768 N ALA A 50 4.122 -9.649 1.546 1.00 0.00 N ATOM 769 CA ALA A 50 3.278 -8.468 1.413 1.00 0.00 C ATOM 770 C ALA A 50 4.053 -7.287 0.839 1.00 0.00 C ATOM 771 O ALA A 50 5.283 -7.267 0.855 1.00 0.00 O ATOM 772 CB ALA A 50 2.701 -8.080 2.761 1.00 0.00 C ATOM 0 H ALA A 50 4.665 -9.677 2.409 1.00 0.00 H new ATOM 0 HA ALA A 50 2.471 -8.719 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.073 -7.197 2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.102 -8.903 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.513 -7.861 3.455 1.00 0.00 H new ATOM 778 N LEU A 51 3.313 -6.303 0.338 1.00 0.00 N ATOM 779 CA LEU A 51 3.902 -5.100 -0.238 1.00 0.00 C ATOM 780 C LEU A 51 3.513 -3.876 0.583 1.00 0.00 C ATOM 781 O LEU A 51 2.342 -3.495 0.621 1.00 0.00 O ATOM 782 CB LEU A 51 3.416 -4.909 -1.684 1.00 0.00 C ATOM 783 CG LEU A 51 4.025 -5.834 -2.755 1.00 0.00 C ATOM 784 CD1 LEU A 51 5.296 -5.229 -3.327 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.286 -7.231 -2.212 1.00 0.00 C ATOM 0 H LEU A 51 2.293 -6.317 0.320 1.00 0.00 H new ATOM 0 HA LEU A 51 4.986 -5.214 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.334 -5.041 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.615 -3.877 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 51 3.296 -5.930 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.710 -5.898 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.067 -4.266 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.024 -5.089 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.715 -7.852 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.982 -7.172 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.348 -7.671 -1.873 1.00 0.00 H new ATOM 797 N ASN A 52 4.492 -3.253 1.227 1.00 0.00 N ATOM 798 CA ASN A 52 4.235 -2.059 2.023 1.00 0.00 C ATOM 799 C ASN A 52 4.380 -0.818 1.160 1.00 0.00 C ATOM 800 O ASN A 52 5.465 -0.251 1.033 1.00 0.00 O ATOM 801 CB ASN A 52 5.193 -1.986 3.213 1.00 0.00 C ATOM 802 CG ASN A 52 5.462 -3.346 3.834 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.567 -3.617 4.303 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.449 -4.203 3.850 1.00 0.00 N ATOM 0 H ASN A 52 5.467 -3.553 1.214 1.00 0.00 H new ATOM 0 HA ASN A 52 3.215 -2.111 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.136 -1.547 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.776 -1.322 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.570 -5.128 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.549 -3.937 3.450 1.00 0.00 H new ATOM 811 N VAL A 53 3.271 -0.415 0.562 1.00 0.00 N ATOM 812 CA VAL A 53 3.250 0.726 -0.336 1.00 0.00 C ATOM 813 C VAL A 53 2.997 2.028 0.410 1.00 0.00 C ATOM 814 O VAL A 53 1.856 2.358 0.737 1.00 0.00 O ATOM 815 CB VAL A 53 2.168 0.555 -1.415 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.373 1.553 -2.545 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.163 -0.871 -1.942 1.00 0.00 C ATOM 0 H VAL A 53 2.365 -0.867 0.685 1.00 0.00 H new ATOM 0 HA VAL A 53 4.233 0.774 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 53 1.196 0.754 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.597 1.415 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.318 2.567 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.351 1.393 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.391 -0.974 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.136 -1.102 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.958 -1.561 -1.123 1.00 0.00 H new ATOM 827 N MET A 54 4.062 2.787 0.625 1.00 0.00 N ATOM 828 CA MET A 54 3.960 4.077 1.292 1.00 0.00 C ATOM 829 C MET A 54 3.635 5.164 0.279 1.00 0.00 C ATOM 830 O MET A 54 3.762 4.956 -0.927 1.00 0.00 O ATOM 831 CB MET A 54 5.267 4.407 2.017 1.00 0.00 C ATOM 832 CG MET A 54 5.659 3.377 3.062 1.00 0.00 C ATOM 833 SD MET A 54 7.444 3.233 3.267 1.00 0.00 S ATOM 834 CE MET A 54 7.535 2.048 4.608 1.00 0.00 C ATOM 0 H MET A 54 5.009 2.531 0.346 1.00 0.00 H new ATOM 0 HA MET A 54 3.157 4.027 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.069 4.491 1.283 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.171 5.381 2.497 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.209 3.646 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.251 2.406 2.780 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.564 1.706 4.722 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.204 2.520 5.533 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.893 1.196 4.385 1.00 0.00 H new ATOM 844 N VAL A 55 3.184 6.313 0.769 1.00 0.00 N ATOM 845 CA VAL A 55 2.817 7.418 -0.105 1.00 0.00 C ATOM 846 C VAL A 55 3.333 8.749 0.440 1.00 0.00 C ATOM 847 O VAL A 55 3.134 9.073 1.611 1.00 0.00 O ATOM 848 CB VAL A 55 1.287 7.491 -0.309 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.729 6.119 -0.648 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.593 8.058 0.919 1.00 0.00 C ATOM 0 H VAL A 55 3.064 6.502 1.764 1.00 0.00 H new ATOM 0 HA VAL A 55 3.286 7.231 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 55 1.093 8.164 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.350 6.189 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.191 5.755 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.945 5.427 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.482 8.097 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.798 7.421 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.965 9.064 1.115 1.00 0.00 H new ATOM 860 N VAL A 56 4.046 9.490 -0.402 1.00 0.00 N ATOM 861 CA VAL A 56 4.585 10.785 0.001 1.00 0.00 C ATOM 862 C VAL A 56 3.686 11.921 -0.478 1.00 0.00 C ATOM 863 O VAL A 56 3.576 12.176 -1.679 1.00 0.00 O ATOM 864 CB VAL A 56 6.020 10.994 -0.527 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.151 10.467 -1.944 1.00 0.00 C ATOM 866 CG2 VAL A 56 6.423 12.461 -0.452 1.00 0.00 C ATOM 0 H VAL A 56 4.263 9.219 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 56 4.619 10.794 1.090 1.00 0.00 H new ATOM 0 HB VAL A 56 6.700 10.429 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.170 10.624 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.922 9.401 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.455 10.997 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.438 12.579 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.739 13.058 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.380 12.798 0.584 1.00 0.00 H new ATOM 876 N VAL A 57 3.043 12.597 0.468 1.00 0.00 N ATOM 877 CA VAL A 57 2.156 13.708 0.143 1.00 0.00 C ATOM 878 C VAL A 57 2.527 14.955 0.942 1.00 0.00 C ATOM 879 O VAL A 57 3.343 14.892 1.863 1.00 0.00 O ATOM 880 CB VAL A 57 0.674 13.347 0.404 1.00 0.00 C ATOM 881 CG1 VAL A 57 0.412 11.885 0.074 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.280 13.649 1.842 1.00 0.00 C ATOM 0 H VAL A 57 3.119 12.395 1.465 1.00 0.00 H new ATOM 0 HA VAL A 57 2.280 13.915 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 57 0.059 13.965 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.635 11.651 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.640 11.703 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.044 11.252 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.766 13.385 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.904 13.067 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.419 14.711 2.042 1.00 0.00 H new ATOM 892 N GLY A 58 1.928 16.085 0.584 1.00 0.00 N ATOM 893 CA GLY A 58 2.210 17.325 1.282 1.00 0.00 C ATOM 894 C GLY A 58 1.305 18.457 0.840 1.00 0.00 C ATOM 895 O GLY A 58 0.439 18.899 1.597 1.00 0.00 O ATOM 0 H GLY A 58 1.253 16.165 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.094 17.169 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.249 17.607 1.111 1.00 0.00 H new ATOM 899 N ASP A 59 1.501 18.924 -0.388 1.00 0.00 N ATOM 900 CA ASP A 59 0.690 20.005 -0.933 1.00 0.00 C ATOM 901 C ASP A 59 -0.642 19.470 -1.446 1.00 0.00 C ATOM 902 O ASP A 59 -1.475 20.223 -1.951 1.00 0.00 O ATOM 903 CB ASP A 59 1.440 20.715 -2.062 1.00 0.00 C ATOM 904 CG ASP A 59 0.852 22.075 -2.388 1.00 0.00 C ATOM 905 OD1 ASP A 59 0.189 22.662 -1.508 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.057 22.553 -3.524 1.00 0.00 O ATOM 0 H ASP A 59 2.215 18.570 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 59 0.493 20.721 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.486 20.834 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.420 20.091 -2.955 1.00 0.00 H new ATOM 911 N ALA A 60 -0.832 18.162 -1.310 1.00 0.00 N ATOM 912 CA ALA A 60 -2.060 17.514 -1.750 1.00 0.00 C ATOM 913 C ALA A 60 -3.250 17.948 -0.900 1.00 0.00 C ATOM 914 O ALA A 60 -3.246 19.029 -0.310 1.00 0.00 O ATOM 915 CB ALA A 60 -1.896 16.002 -1.705 1.00 0.00 C ATOM 0 H ALA A 60 -0.148 17.529 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.257 17.820 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.819 15.526 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.079 15.705 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.672 15.690 -0.685 1.00 0.00 H new ATOM 921 N GLU A 61 -4.269 17.096 -0.840 1.00 0.00 N ATOM 922 CA GLU A 61 -5.469 17.388 -0.066 1.00 0.00 C ATOM 923 C GLU A 61 -6.073 16.111 0.500 1.00 0.00 C ATOM 924 O GLU A 61 -5.409 15.077 0.572 1.00 0.00 O ATOM 925 CB GLU A 61 -6.502 18.106 -0.939 1.00 0.00 C ATOM 926 CG GLU A 61 -6.264 17.940 -2.434 1.00 0.00 C ATOM 927 CD GLU A 61 -7.159 18.835 -3.272 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.079 19.459 -2.702 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.939 18.912 -4.498 1.00 0.00 O ATOM 0 H GLU A 61 -4.287 16.196 -1.320 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.187 18.037 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.495 17.729 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.495 19.168 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.221 18.163 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.435 16.900 -2.712 1.00 0.00 H new ATOM 936 N GLY A 62 -7.343 16.185 0.884 1.00 0.00 N ATOM 937 CA GLY A 62 -8.024 15.020 1.409 1.00 0.00 C ATOM 938 C GLY A 62 -8.507 14.113 0.298 1.00 0.00 C ATOM 939 O GLY A 62 -9.310 13.208 0.525 1.00 0.00 O ATOM 0 H GLY A 62 -7.911 17.031 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.350 14.468 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.872 15.336 2.017 1.00 0.00 H new ATOM 943 N GLY A 63 -8.005 14.360 -0.909 1.00 0.00 N ATOM 944 CA GLY A 63 -8.389 13.556 -2.055 1.00 0.00 C ATOM 945 C GLY A 63 -7.844 12.145 -1.983 1.00 0.00 C ATOM 946 O GLY A 63 -8.218 11.288 -2.784 1.00 0.00 O ATOM 0 H GLY A 63 -7.338 15.104 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.476 13.519 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.031 14.034 -2.967 1.00 0.00 H new ATOM 950 N THR A 64 -6.963 11.900 -1.017 1.00 0.00 N ATOM 951 CA THR A 64 -6.386 10.573 -0.840 1.00 0.00 C ATOM 952 C THR A 64 -7.412 9.633 -0.226 1.00 0.00 C ATOM 953 O THR A 64 -7.158 8.442 -0.054 1.00 0.00 O ATOM 954 CB THR A 64 -5.137 10.632 0.040 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.482 10.517 1.409 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.341 11.907 -0.129 1.00 0.00 C ATOM 0 H THR A 64 -6.635 12.598 -0.350 1.00 0.00 H new ATOM 0 HA THR A 64 -6.096 10.195 -1.820 1.00 0.00 H new ATOM 0 HB THR A 64 -4.519 9.795 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.669 10.555 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.469 11.881 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.015 11.998 -1.165 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.964 12.762 0.131 1.00 0.00 H new ATOM 964 N GLU A 65 -8.576 10.187 0.106 1.00 0.00 N ATOM 965 CA GLU A 65 -9.672 9.405 0.657 1.00 0.00 C ATOM 966 C GLU A 65 -10.014 8.258 -0.276 1.00 0.00 C ATOM 967 O GLU A 65 -10.561 7.235 0.139 1.00 0.00 O ATOM 968 CB GLU A 65 -10.900 10.289 0.847 1.00 0.00 C ATOM 969 CG GLU A 65 -11.316 11.030 -0.411 1.00 0.00 C ATOM 970 CD GLU A 65 -12.433 12.023 -0.159 1.00 0.00 C ATOM 971 OE1 GLU A 65 -12.132 13.166 0.246 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.610 11.656 -0.363 1.00 0.00 O ATOM 0 H GLU A 65 -8.782 11.181 0.001 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.364 9.003 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.732 9.672 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.697 11.014 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.453 11.555 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.638 10.310 -1.163 1.00 0.00 H new ATOM 979 N ALA A 66 -9.660 8.439 -1.539 1.00 0.00 N ATOM 980 CA ALA A 66 -9.920 7.441 -2.568 1.00 0.00 C ATOM 981 C ALA A 66 -9.315 6.095 -2.186 1.00 0.00 C ATOM 982 O ALA A 66 -9.826 5.047 -2.571 1.00 0.00 O ATOM 983 CB ALA A 66 -9.365 7.905 -3.906 1.00 0.00 C ATOM 0 H ALA A 66 -9.187 9.276 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.999 7.318 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.567 7.149 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.841 8.843 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.289 8.056 -3.821 1.00 0.00 H new ATOM 989 N ALA A 67 -8.256 6.133 -1.383 1.00 0.00 N ATOM 990 CA ALA A 67 -7.595 4.913 -0.937 1.00 0.00 C ATOM 991 C ALA A 67 -8.557 4.053 -0.130 1.00 0.00 C ATOM 992 O ALA A 67 -8.813 2.899 -0.476 1.00 0.00 O ATOM 993 CB ALA A 67 -6.362 5.252 -0.112 1.00 0.00 C ATOM 0 H ALA A 67 -7.839 6.994 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.280 4.347 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.878 4.331 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.666 5.832 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.657 5.836 0.760 1.00 0.00 H new ATOM 999 N GLU A 68 -9.115 4.634 0.926 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.076 3.931 1.764 1.00 0.00 C ATOM 1001 C GLU A 68 -11.271 3.471 0.937 1.00 0.00 C ATOM 1002 O GLU A 68 -11.859 2.423 1.206 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.544 4.837 2.906 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.435 5.221 3.870 1.00 0.00 C ATOM 1005 CD GLU A 68 -9.963 5.733 5.196 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.174 4.908 6.109 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.165 6.959 5.320 1.00 0.00 O ATOM 0 H GLU A 68 -8.918 5.590 1.221 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.588 3.053 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.978 5.744 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.336 4.331 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.798 4.355 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.810 5.988 3.412 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.642 4.276 -0.056 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.747 3.937 -0.941 1.00 0.00 C ATOM 1016 C GLU A 69 -12.440 2.658 -1.707 1.00 0.00 C ATOM 1017 O GLU A 69 -13.243 1.726 -1.733 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.021 5.082 -1.917 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.495 5.426 -2.053 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.723 6.862 -2.482 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.028 7.756 -1.955 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.598 7.093 -3.343 1.00 0.00 O ATOM 0 H GLU A 69 -11.192 5.167 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.637 3.776 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.479 5.968 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.627 4.815 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.955 4.756 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.994 5.252 -1.100 1.00 0.00 H new ATOM 1029 N SER A 70 -11.272 2.632 -2.343 1.00 0.00 N ATOM 1030 CA SER A 70 -10.837 1.466 -3.098 1.00 0.00 C ATOM 1031 C SER A 70 -10.661 0.273 -2.172 1.00 0.00 C ATOM 1032 O SER A 70 -10.631 -0.872 -2.617 1.00 0.00 O ATOM 1033 CB SER A 70 -9.523 1.761 -3.824 1.00 0.00 C ATOM 1034 OG SER A 70 -9.512 1.179 -5.115 1.00 0.00 O ATOM 0 H SER A 70 -10.610 3.408 -2.349 1.00 0.00 H new ATOM 0 HA SER A 70 -11.602 1.229 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.384 2.839 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.687 1.375 -3.241 1.00 0.00 H new ATOM 0 HG SER A 70 -8.662 1.383 -5.559 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.558 0.555 -0.877 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.392 -0.486 0.127 1.00 0.00 C ATOM 1042 C LEU A 71 -11.695 -1.246 0.333 1.00 0.00 C ATOM 1043 O LEU A 71 -11.693 -2.434 0.652 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.937 0.131 1.452 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.552 -0.304 1.938 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.485 -1.816 2.080 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.470 0.197 0.990 1.00 0.00 C ATOM 0 H LEU A 71 -10.587 1.502 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.633 -1.185 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.943 1.216 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.668 -0.120 2.220 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.378 0.138 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.493 -2.105 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.232 -2.147 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.682 -2.281 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.493 -0.122 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.640 -0.213 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.502 1.286 0.944 1.00 0.00 H new ATOM 1059 N SER A 72 -12.808 -0.546 0.139 1.00 0.00 N ATOM 1060 CA SER A 72 -14.129 -1.143 0.288 1.00 0.00 C ATOM 1061 C SER A 72 -14.356 -2.233 -0.757 1.00 0.00 C ATOM 1062 O SER A 72 -15.318 -2.998 -0.673 1.00 0.00 O ATOM 1063 CB SER A 72 -15.203 -0.064 0.164 1.00 0.00 C ATOM 1064 OG SER A 72 -16.127 -0.135 1.237 1.00 0.00 O ATOM 0 H SER A 72 -12.820 0.440 -0.123 1.00 0.00 H new ATOM 0 HA SER A 72 -14.191 -1.601 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.734 0.920 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.731 -0.180 -0.782 1.00 0.00 H new ATOM 0 HG SER A 72 -16.802 0.568 1.134 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.463 -2.294 -1.740 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.567 -3.293 -2.790 1.00 0.00 C ATOM 1072 C GLY A 73 -12.210 -3.655 -3.356 1.00 0.00 C ATOM 1073 O GLY A 73 -12.094 -4.073 -4.509 1.00 0.00 O ATOM 0 H GLY A 73 -12.664 -1.666 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.047 -4.188 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.206 -2.916 -3.589 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.185 -3.481 -2.534 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.811 -3.767 -2.929 1.00 0.00 C ATOM 1079 C ILE A 74 -9.564 -5.277 -3.004 1.00 0.00 C ATOM 1080 O ILE A 74 -10.510 -6.063 -3.025 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.823 -3.107 -1.940 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.494 -2.788 -2.627 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.605 -3.985 -0.715 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.021 -1.369 -2.393 1.00 0.00 C ATOM 0 H ILE A 74 -11.280 -3.139 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.647 -3.349 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.263 -2.168 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.733 -3.481 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.598 -2.956 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.906 -3.496 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.556 -4.141 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.197 -4.947 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.074 -1.212 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.764 -0.670 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.885 -1.202 -1.324 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.292 -5.673 -3.040 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.922 -7.084 -3.103 1.00 0.00 C ATOM 1098 C GLU A 75 -8.618 -7.884 -2.006 1.00 0.00 C ATOM 1099 O GLU A 75 -8.153 -7.928 -0.867 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.405 -7.227 -2.960 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.676 -7.378 -4.284 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.863 -6.181 -5.194 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -5.159 -5.169 -4.996 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -6.714 -6.256 -6.105 1.00 0.00 O ATOM 0 H GLU A 75 -7.498 -5.032 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.240 -7.477 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.015 -6.353 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.188 -8.094 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.612 -7.522 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.034 -8.274 -4.791 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.734 -8.516 -2.360 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.473 -9.313 -1.399 1.00 0.00 C ATOM 1113 C GLY A 76 -9.649 -10.465 -0.861 1.00 0.00 C ATOM 1114 O GLY A 76 -9.912 -10.973 0.229 1.00 0.00 O ATOM 0 H GLY A 76 -10.139 -8.490 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.792 -8.679 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.376 -9.702 -1.869 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.642 -10.869 -1.627 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.761 -11.956 -1.225 1.00 0.00 C ATOM 1120 C VAL A 77 -6.582 -11.423 -0.425 1.00 0.00 C ATOM 1121 O VAL A 77 -6.186 -12.004 0.585 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.242 -12.738 -2.447 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.133 -11.982 -3.165 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.769 -14.124 -2.029 1.00 0.00 C ATOM 0 H VAL A 77 -8.416 -10.458 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.343 -12.634 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.069 -12.849 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.792 -12.564 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.512 -11.019 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.300 -11.821 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.406 -14.664 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.964 -14.029 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.599 -14.673 -1.583 1.00 0.00 H new ATOM 1134 N SER A 78 -6.061 -10.285 -0.862 1.00 0.00 N ATOM 1135 CA SER A 78 -4.931 -9.657 -0.203 1.00 0.00 C ATOM 1136 C SER A 78 -5.407 -8.600 0.778 1.00 0.00 C ATOM 1137 O SER A 78 -5.605 -7.443 0.406 1.00 0.00 O ATOM 1138 CB SER A 78 -3.990 -9.015 -1.231 1.00 0.00 C ATOM 1139 OG SER A 78 -3.115 -8.090 -0.610 1.00 0.00 O ATOM 0 H SER A 78 -6.408 -9.777 -1.676 1.00 0.00 H new ATOM 0 HA SER A 78 -4.388 -10.431 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.410 -9.790 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.575 -8.509 -1.999 1.00 0.00 H new ATOM 0 HG SER A 78 -3.315 -7.185 -0.929 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.595 -8.999 2.029 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.994 -8.045 3.053 1.00 0.00 C ATOM 1147 C ASN A 79 -4.789 -7.234 3.454 1.00 0.00 C ATOM 1148 O ASN A 79 -3.709 -7.776 3.688 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.598 -8.718 4.285 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.583 -7.814 5.019 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.673 -8.253 5.387 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.216 -6.543 5.241 1.00 0.00 N ATOM 0 H ASN A 79 -5.480 -9.959 2.355 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.771 -7.407 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.106 -9.634 3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.798 -9.007 4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.848 -5.907 5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.305 -6.212 4.922 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.973 -5.939 3.508 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.882 -5.043 3.780 1.00 0.00 C ATOM 1161 C ILE A 80 -3.871 -4.564 5.219 1.00 0.00 C ATOM 1162 O ILE A 80 -4.918 -4.391 5.843 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.972 -3.819 2.865 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.192 -4.246 1.415 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.727 -2.972 2.999 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.643 -4.230 0.992 1.00 0.00 C ATOM 0 H ILE A 80 -5.874 -5.482 3.366 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.964 -5.601 3.597 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.828 -3.217 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.624 -3.585 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.793 -5.251 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.804 -2.105 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.624 -2.638 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.854 -3.562 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.722 -4.544 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.213 -4.913 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.042 -3.221 1.097 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.671 -4.293 5.716 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.509 -3.695 7.019 1.00 0.00 C ATOM 1180 C GLU A 81 -2.615 -2.198 6.831 1.00 0.00 C ATOM 1181 O GLU A 81 -1.617 -1.474 6.850 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.159 -4.071 7.636 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.099 -3.865 9.141 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.197 -4.868 9.832 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.865 -5.201 9.265 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -0.552 -5.320 10.941 1.00 0.00 O ATOM 0 H GLU A 81 -1.796 -4.482 5.227 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.276 -4.057 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.945 -5.116 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.376 -3.477 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.743 -2.857 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.105 -3.941 9.555 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.829 -1.770 6.515 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.105 -0.385 6.194 1.00 0.00 C ATOM 1195 C VAL A 82 -4.251 0.446 7.463 1.00 0.00 C ATOM 1196 O VAL A 82 -5.280 1.078 7.706 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.384 -0.282 5.338 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.655 1.163 4.952 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.263 -1.152 4.099 1.00 0.00 C ATOM 0 H VAL A 82 -4.648 -2.377 6.475 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.265 0.009 5.622 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.226 -0.640 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.561 1.215 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.785 1.762 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.814 1.550 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.173 -1.068 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.411 -0.822 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.118 -2.191 4.396 1.00 0.00 H new ATOM 1209 N THR A 83 -3.223 0.390 8.298 1.00 0.00 N ATOM 1210 CA THR A 83 -3.214 1.133 9.545 1.00 0.00 C ATOM 1211 C THR A 83 -1.901 1.884 9.742 1.00 0.00 C ATOM 1212 O THR A 83 -1.699 2.516 10.779 1.00 0.00 O ATOM 1213 CB THR A 83 -3.451 0.187 10.725 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.356 -0.842 10.366 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.003 0.881 11.949 1.00 0.00 C ATOM 0 H THR A 83 -2.383 -0.165 8.132 1.00 0.00 H new ATOM 0 HA THR A 83 -4.019 1.866 9.498 1.00 0.00 H new ATOM 0 HB THR A 83 -2.470 -0.218 10.973 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.494 -1.438 11.132 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.147 0.152 12.747 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.302 1.647 12.280 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.959 1.345 11.704 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.966 1.742 8.800 1.00 0.00 N ATOM 1224 CA ASP A 84 0.319 2.403 8.929 1.00 0.00 C ATOM 1225 C ASP A 84 0.255 3.820 8.373 1.00 0.00 C ATOM 1226 O ASP A 84 -0.257 4.043 7.277 1.00 0.00 O ATOM 1227 CB ASP A 84 1.400 1.588 8.226 1.00 0.00 C ATOM 1228 CG ASP A 84 2.800 2.031 8.604 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.089 3.243 8.504 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.610 1.167 9.000 1.00 0.00 O ATOM 0 H ASP A 84 -1.078 1.183 7.955 1.00 0.00 H new ATOM 0 HA ASP A 84 0.572 2.472 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.276 0.534 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.273 1.677 7.147 1.00 0.00 H new