USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 64 ASN : amide:sc= -4.59! C(o=-21!,f=-31!) USER MOD Set 1.2: A 87 GLN : amide:sc= -16.2! C(o=-21!,f=-26!) USER MOD Set 2.1: A 49 HIS : no HE2:sc= -7.35! C(o=-11!,f=-14!) USER MOD Set 2.2: A 51 TYR OH : rot 153:sc= -3.8! USER MOD Set 3.1: A 48 CYS SG : rot -174:sc= -1.71 USER MOD Set 3.2: A 86 CYS SG : rot 180:sc= 0.22 USER MOD Set 4.1: A 45 CYS SG : rot 159:sc= 2.23 USER MOD Set 4.2: A 47 THR OG1 : rot -29:sc= 1.24 USER MOD Set 5.1: A 29 SER OG : rot 180:sc=-0.00833 USER MOD Set 5.2: A 30 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.4!) USER MOD Set 6.1: A 22 SER OG : rot -120:sc= -0.741 USER MOD Set 6.2: A 25 GLN :FLIP amide:sc= -0.691 F(o=-6.1!,f=-1.4) USER MOD Single : A 1 SER N :NH3+ -101:sc= 0.63 (180deg=0.0602) USER MOD Single : A 1 SER OG : rot 110:sc= -2.41! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -76:sc= -0.365 USER MOD Single : A 7 SER OG : rot 106:sc= -1.76! USER MOD Single : A 8 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-8.3!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.46! C(o=-1.5!,f=-9.1!) USER MOD Single : A 57 THR OG1 : rot 171:sc= -0.34 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -147:sc= -1.77 (180deg=-4.97!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.72! USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.351 (180deg=-1.32!) USER MOD Single : A 81 ASN : amide:sc= -2.82 K(o=-2.8,f=-4.9!) USER MOD Single : A 82 SER OG : rot 36:sc= 0.591! USER MOD Single : A 85 CYS SG : rot 180:sc= -2.61 USER MOD Single : A 90 MET CE :methyl -165:sc= -0.831 (180deg=-1.03) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -6.86! C(o=-6.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.040 -8.994 3.416 1.00 0.00 N ATOM 2 CA SER A 1 9.918 -9.741 2.775 1.00 0.00 C ATOM 3 C SER A 1 9.816 -9.329 1.303 1.00 0.00 C ATOM 4 O SER A 1 10.259 -8.265 0.917 1.00 0.00 O ATOM 5 CB SER A 1 8.606 -9.411 3.515 1.00 0.00 C ATOM 6 OG SER A 1 8.917 -8.831 4.775 1.00 0.00 O ATOM 0 H1 SER A 1 11.873 -9.613 3.487 1.00 0.00 H new ATOM 0 H2 SER A 1 11.276 -8.161 2.840 1.00 0.00 H new ATOM 0 H3 SER A 1 10.754 -8.687 4.368 1.00 0.00 H new ATOM 0 HA SER A 1 10.099 -10.814 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.003 -8.723 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.014 -10.316 3.653 1.00 0.00 H new ATOM 0 HG SER A 1 8.676 -7.881 4.766 1.00 0.00 H new ATOM 14 N LYS A 2 9.232 -10.151 0.472 1.00 0.00 N ATOM 15 CA LYS A 2 9.106 -9.780 -0.953 1.00 0.00 C ATOM 16 C LYS A 2 7.880 -8.895 -1.099 1.00 0.00 C ATOM 17 O LYS A 2 6.790 -9.293 -0.758 1.00 0.00 O ATOM 18 CB LYS A 2 8.915 -11.056 -1.799 1.00 0.00 C ATOM 19 CG LYS A 2 10.254 -11.518 -2.400 1.00 0.00 C ATOM 20 CD LYS A 2 10.570 -10.718 -3.666 1.00 0.00 C ATOM 21 CE LYS A 2 11.824 -11.295 -4.328 1.00 0.00 C ATOM 22 NZ LYS A 2 12.077 -10.591 -5.609 1.00 0.00 N ATOM 0 H LYS A 2 8.840 -11.058 0.724 1.00 0.00 H new ATOM 0 HA LYS A 2 10.000 -9.256 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.496 -11.849 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.199 -10.864 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.053 -11.388 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.208 -12.581 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.728 -10.760 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.726 -9.668 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.682 -11.184 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.695 -12.362 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.929 -10.983 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.262 -10.718 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.218 -9.577 -5.426 1.00 0.00 H new ATOM 36 N VAL A 3 8.039 -7.698 -1.576 1.00 0.00 N ATOM 37 CA VAL A 3 6.878 -6.777 -1.718 1.00 0.00 C ATOM 38 C VAL A 3 6.712 -6.448 -3.196 1.00 0.00 C ATOM 39 O VAL A 3 7.620 -5.969 -3.820 1.00 0.00 O ATOM 40 CB VAL A 3 7.215 -5.517 -0.912 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.217 -4.382 -1.167 1.00 0.00 C ATOM 42 CG2 VAL A 3 7.223 -5.867 0.588 1.00 0.00 C ATOM 0 H VAL A 3 8.933 -7.311 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 3 5.949 -7.214 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 3 8.197 -5.167 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.497 -3.511 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.227 -4.119 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.216 -4.707 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.462 -4.976 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.241 -6.238 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.972 -6.636 0.778 1.00 0.00 H new ATOM 52 N VAL A 4 5.558 -6.705 -3.756 1.00 0.00 N ATOM 53 CA VAL A 4 5.338 -6.410 -5.206 1.00 0.00 C ATOM 54 C VAL A 4 4.274 -5.324 -5.379 1.00 0.00 C ATOM 55 O VAL A 4 3.224 -5.362 -4.793 1.00 0.00 O ATOM 56 CB VAL A 4 4.890 -7.685 -5.905 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.525 -7.384 -7.362 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.023 -8.712 -5.865 1.00 0.00 C ATOM 0 H VAL A 4 4.756 -7.107 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 4 6.269 -6.050 -5.644 1.00 0.00 H new ATOM 0 HB VAL A 4 4.014 -8.084 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.206 -8.303 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.714 -6.656 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.395 -6.979 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.703 -9.626 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.899 -8.308 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.275 -8.935 -4.828 1.00 0.00 H new ATOM 68 N TYR A 5 4.557 -4.390 -6.230 1.00 0.00 N ATOM 69 CA TYR A 5 3.608 -3.288 -6.547 1.00 0.00 C ATOM 70 C TYR A 5 3.167 -3.442 -8.000 1.00 0.00 C ATOM 71 O TYR A 5 3.977 -3.395 -8.893 1.00 0.00 O ATOM 72 CB TYR A 5 4.305 -1.937 -6.368 1.00 0.00 C ATOM 73 CG TYR A 5 4.582 -1.707 -4.904 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.594 -1.156 -4.074 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.827 -2.047 -4.366 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.856 -0.945 -2.715 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.086 -1.835 -3.011 1.00 0.00 C ATOM 78 CZ TYR A 5 5.105 -1.284 -2.181 1.00 0.00 C ATOM 79 OH TYR A 5 5.368 -1.077 -0.848 1.00 0.00 O ATOM 0 H TYR A 5 5.439 -4.340 -6.740 1.00 0.00 H new ATOM 0 HA TYR A 5 2.747 -3.332 -5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.237 -1.918 -6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.678 -1.137 -6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.630 -0.894 -4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.590 -2.474 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.094 -0.520 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.050 -2.098 -2.601 1.00 0.00 H new ATOM 0 HH TYR A 5 5.536 -0.124 -0.692 1.00 0.00 H new ATOM 89 N VAL A 6 1.888 -3.583 -8.238 1.00 0.00 N ATOM 90 CA VAL A 6 1.399 -3.693 -9.650 1.00 0.00 C ATOM 91 C VAL A 6 0.866 -2.323 -10.051 1.00 0.00 C ATOM 92 O VAL A 6 -0.060 -1.809 -9.461 1.00 0.00 O ATOM 93 CB VAL A 6 0.296 -4.751 -9.763 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.084 -5.112 -11.233 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.714 -6.003 -8.985 1.00 0.00 C ATOM 0 H VAL A 6 1.163 -3.627 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 6 2.210 -4.001 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.632 -4.356 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.700 -5.864 -11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.210 -4.221 -11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.011 -5.508 -11.648 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.068 -6.758 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.641 -6.397 -9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.867 -5.746 -7.937 1.00 0.00 H new ATOM 105 N SER A 7 1.483 -1.712 -11.010 1.00 0.00 N ATOM 106 CA SER A 7 1.065 -0.350 -11.421 1.00 0.00 C ATOM 107 C SER A 7 -0.182 -0.400 -12.298 1.00 0.00 C ATOM 108 O SER A 7 -0.734 -1.447 -12.584 1.00 0.00 O ATOM 109 CB SER A 7 2.202 0.313 -12.208 1.00 0.00 C ATOM 110 OG SER A 7 2.593 -0.539 -13.269 1.00 0.00 O ATOM 0 H SER A 7 2.268 -2.099 -11.534 1.00 0.00 H new ATOM 0 HA SER A 7 0.837 0.225 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.875 1.276 -12.601 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.050 0.508 -11.551 1.00 0.00 H new ATOM 0 HG SER A 7 2.262 -0.178 -14.118 1.00 0.00 H new ATOM 116 N HIS A 8 -0.605 0.747 -12.738 1.00 0.00 N ATOM 117 CA HIS A 8 -1.801 0.827 -13.619 1.00 0.00 C ATOM 118 C HIS A 8 -1.372 0.397 -15.022 1.00 0.00 C ATOM 119 O HIS A 8 -2.063 -0.336 -15.703 1.00 0.00 O ATOM 120 CB HIS A 8 -2.376 2.276 -13.632 1.00 0.00 C ATOM 121 CG HIS A 8 -1.522 3.200 -12.795 1.00 0.00 C ATOM 122 ND1 HIS A 8 -1.042 2.843 -11.537 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.068 4.478 -13.019 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.338 3.888 -11.063 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.324 4.906 -11.928 1.00 0.00 N ATOM 0 H HIS A 8 -0.169 1.644 -12.523 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.590 0.172 -13.251 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.422 2.645 -14.657 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.397 2.270 -13.249 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.261 5.060 -13.908 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.155 3.902 -10.102 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.137 5.808 -11.811 1.00 0.00 H new ATOM 134 N ASP A 9 -0.237 0.863 -15.466 1.00 0.00 N ATOM 135 CA ASP A 9 0.240 0.497 -16.825 1.00 0.00 C ATOM 136 C ASP A 9 0.592 -0.993 -16.890 1.00 0.00 C ATOM 137 O ASP A 9 0.864 -1.521 -17.949 1.00 0.00 O ATOM 138 CB ASP A 9 1.480 1.322 -17.179 1.00 0.00 C ATOM 139 CG ASP A 9 2.538 1.146 -16.086 1.00 0.00 C ATOM 140 OD1 ASP A 9 2.644 0.049 -15.567 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.223 2.112 -15.789 1.00 0.00 O ATOM 0 H ASP A 9 0.381 1.483 -14.943 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.559 0.705 -17.537 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.880 1.003 -18.142 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.214 2.375 -17.277 1.00 0.00 H new ATOM 146 N GLY A 10 0.590 -1.685 -15.780 1.00 0.00 N ATOM 147 CA GLY A 10 0.921 -3.148 -15.790 1.00 0.00 C ATOM 148 C GLY A 10 2.372 -3.377 -15.346 1.00 0.00 C ATOM 149 O GLY A 10 2.769 -4.491 -15.069 1.00 0.00 O ATOM 0 H GLY A 10 0.373 -1.300 -14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.243 -3.684 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.773 -3.553 -16.791 1.00 0.00 H new ATOM 153 N THR A 11 3.176 -2.346 -15.281 1.00 0.00 N ATOM 154 CA THR A 11 4.593 -2.551 -14.865 1.00 0.00 C ATOM 155 C THR A 11 4.650 -2.896 -13.379 1.00 0.00 C ATOM 156 O THR A 11 4.095 -2.214 -12.543 1.00 0.00 O ATOM 157 CB THR A 11 5.437 -1.295 -15.202 1.00 0.00 C ATOM 158 OG1 THR A 11 6.634 -1.710 -15.842 1.00 0.00 O ATOM 159 CG2 THR A 11 5.808 -0.473 -13.949 1.00 0.00 C ATOM 0 H THR A 11 2.916 -1.383 -15.495 1.00 0.00 H new ATOM 0 HA THR A 11 5.020 -3.388 -15.418 1.00 0.00 H new ATOM 0 HB THR A 11 4.834 -0.657 -15.849 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.177 -0.924 -16.062 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.399 0.394 -14.244 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.898 -0.140 -13.450 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.390 -1.093 -13.267 1.00 0.00 H new ATOM 167 N ARG A 12 5.328 -3.962 -13.062 1.00 0.00 N ATOM 168 CA ARG A 12 5.453 -4.395 -11.636 1.00 0.00 C ATOM 169 C ARG A 12 6.863 -4.089 -11.120 1.00 0.00 C ATOM 170 O ARG A 12 7.845 -4.291 -11.801 1.00 0.00 O ATOM 171 CB ARG A 12 5.198 -5.908 -11.498 1.00 0.00 C ATOM 172 CG ARG A 12 3.942 -6.328 -12.293 1.00 0.00 C ATOM 173 CD ARG A 12 3.282 -7.591 -11.683 1.00 0.00 C ATOM 174 NE ARG A 12 3.002 -8.584 -12.767 1.00 0.00 N ATOM 175 CZ ARG A 12 3.718 -9.683 -12.900 1.00 0.00 C ATOM 176 NH1 ARG A 12 4.750 -9.925 -12.117 1.00 0.00 N ATOM 177 NH2 ARG A 12 3.396 -10.540 -13.824 1.00 0.00 N ATOM 0 H ARG A 12 5.807 -4.561 -13.734 1.00 0.00 H new ATOM 0 HA ARG A 12 4.711 -3.850 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.065 -6.462 -11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.071 -6.165 -10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.224 -5.508 -12.301 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.215 -6.523 -13.330 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.940 -8.031 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.356 -7.321 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 12 2.238 -8.406 -13.419 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.008 -9.256 -11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.291 -10.781 -12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.599 -10.357 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.941 -11.395 -13.939 1.00 0.00 H new ATOM 191 N ARG A 13 6.964 -3.652 -9.881 1.00 0.00 N ATOM 192 CA ARG A 13 8.296 -3.384 -9.263 1.00 0.00 C ATOM 193 C ARG A 13 8.288 -4.092 -7.922 1.00 0.00 C ATOM 194 O ARG A 13 7.363 -3.956 -7.147 1.00 0.00 O ATOM 195 CB ARG A 13 8.528 -1.892 -9.032 1.00 0.00 C ATOM 196 CG ARG A 13 9.975 -1.681 -8.560 1.00 0.00 C ATOM 197 CD ARG A 13 10.190 -0.230 -8.117 1.00 0.00 C ATOM 198 NE ARG A 13 10.319 0.662 -9.316 1.00 0.00 N ATOM 199 CZ ARG A 13 9.270 1.300 -9.782 1.00 0.00 C ATOM 200 NH1 ARG A 13 8.071 1.000 -9.354 1.00 0.00 N ATOM 201 NH2 ARG A 13 9.416 2.215 -10.702 1.00 0.00 N ATOM 0 H ARG A 13 6.167 -3.470 -9.271 1.00 0.00 H new ATOM 0 HA ARG A 13 9.089 -3.735 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.346 -1.335 -9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.829 -1.513 -8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.196 -2.356 -7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.666 -1.927 -9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.354 0.097 -7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.088 -0.158 -7.503 1.00 0.00 H new ATOM 0 HE ARG A 13 11.225 0.773 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.947 0.267 -8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.260 1.499 -9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.346 2.435 -11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.600 2.710 -11.063 1.00 0.00 H new ATOM 215 N GLU A 14 9.286 -4.878 -7.661 1.00 0.00 N ATOM 216 CA GLU A 14 9.339 -5.652 -6.396 1.00 0.00 C ATOM 217 C GLU A 14 10.448 -5.104 -5.473 1.00 0.00 C ATOM 218 O GLU A 14 11.580 -4.945 -5.890 1.00 0.00 O ATOM 219 CB GLU A 14 9.620 -7.121 -6.746 1.00 0.00 C ATOM 220 CG GLU A 14 8.909 -7.469 -8.067 1.00 0.00 C ATOM 221 CD GLU A 14 8.799 -8.986 -8.219 1.00 0.00 C ATOM 222 OE1 GLU A 14 9.254 -9.687 -7.332 1.00 0.00 O ATOM 223 OE2 GLU A 14 8.263 -9.422 -9.221 1.00 0.00 O ATOM 0 H GLU A 14 10.083 -5.020 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 14 8.390 -5.565 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.693 -7.286 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.267 -7.772 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.916 -7.021 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.462 -7.050 -8.908 1.00 0.00 H new ATOM 230 N LEU A 15 10.133 -4.835 -4.223 1.00 0.00 N ATOM 231 CA LEU A 15 11.162 -4.316 -3.260 1.00 0.00 C ATOM 232 C LEU A 15 11.290 -5.270 -2.078 1.00 0.00 C ATOM 233 O LEU A 15 10.429 -6.080 -1.806 1.00 0.00 O ATOM 234 CB LEU A 15 10.747 -2.946 -2.641 1.00 0.00 C ATOM 235 CG LEU A 15 9.695 -2.248 -3.467 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.305 -0.959 -2.719 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.222 -1.886 -4.871 1.00 0.00 C ATOM 0 H LEU A 15 9.200 -4.954 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 15 12.088 -4.217 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.369 -3.104 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.625 -2.306 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 15 8.840 -2.911 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.544 -0.425 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.911 -1.214 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.184 -0.325 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.436 -1.385 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.081 -1.222 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.521 -2.795 -5.393 1.00 0.00 H new ATOM 249 N ASP A 16 12.326 -5.083 -1.332 1.00 0.00 N ATOM 250 CA ASP A 16 12.516 -5.853 -0.085 1.00 0.00 C ATOM 251 C ASP A 16 12.149 -4.874 1.023 1.00 0.00 C ATOM 252 O ASP A 16 12.820 -3.878 1.211 1.00 0.00 O ATOM 253 CB ASP A 16 13.981 -6.272 0.025 1.00 0.00 C ATOM 254 CG ASP A 16 14.880 -5.166 -0.528 1.00 0.00 C ATOM 255 OD1 ASP A 16 14.700 -4.807 -1.673 1.00 0.00 O ATOM 256 OD2 ASP A 16 15.735 -4.699 0.201 1.00 0.00 O ATOM 0 H ASP A 16 13.068 -4.414 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 16 11.914 -6.761 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.234 -6.472 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.146 -7.197 -0.527 1.00 0.00 H new ATOM 261 N VAL A 17 11.108 -5.134 1.776 1.00 0.00 N ATOM 262 CA VAL A 17 10.717 -4.204 2.889 1.00 0.00 C ATOM 263 C VAL A 17 10.980 -4.916 4.213 1.00 0.00 C ATOM 264 O VAL A 17 10.507 -6.010 4.460 1.00 0.00 O ATOM 265 CB VAL A 17 9.229 -3.844 2.713 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.801 -2.749 3.697 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.050 -3.345 1.279 1.00 0.00 C ATOM 0 H VAL A 17 10.508 -5.952 1.670 1.00 0.00 H new ATOM 0 HA VAL A 17 11.295 -3.280 2.876 1.00 0.00 H new ATOM 0 HB VAL A 17 8.611 -4.720 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.746 -2.517 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.955 -3.097 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.397 -1.853 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.006 -3.079 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.678 -2.469 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.339 -4.131 0.581 1.00 0.00 H new ATOM 277 N ALA A 18 11.779 -4.318 5.059 1.00 0.00 N ATOM 278 CA ALA A 18 12.136 -4.966 6.352 1.00 0.00 C ATOM 279 C ALA A 18 10.948 -5.000 7.307 1.00 0.00 C ATOM 280 O ALA A 18 9.981 -4.277 7.168 1.00 0.00 O ATOM 281 CB ALA A 18 13.289 -4.201 7.008 1.00 0.00 C ATOM 0 H ALA A 18 12.201 -3.402 4.906 1.00 0.00 H new ATOM 0 HA ALA A 18 12.435 -5.993 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.549 -4.676 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.155 -4.211 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.984 -3.171 7.191 1.00 0.00 H new ATOM 287 N ASP A 19 11.042 -5.850 8.281 1.00 0.00 N ATOM 288 CA ASP A 19 9.967 -5.981 9.286 1.00 0.00 C ATOM 289 C ASP A 19 9.776 -4.654 10.001 1.00 0.00 C ATOM 290 O ASP A 19 10.715 -3.966 10.351 1.00 0.00 O ATOM 291 CB ASP A 19 10.359 -7.060 10.294 1.00 0.00 C ATOM 292 CG ASP A 19 11.630 -6.637 11.030 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.284 -5.720 10.562 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.931 -7.241 12.046 1.00 0.00 O ATOM 0 H ASP A 19 11.837 -6.473 8.424 1.00 0.00 H new ATOM 0 HA ASP A 19 9.034 -6.259 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.549 -7.217 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.522 -8.008 9.782 1.00 0.00 H new ATOM 299 N GLY A 20 8.553 -4.314 10.242 1.00 0.00 N ATOM 300 CA GLY A 20 8.253 -3.047 10.963 1.00 0.00 C ATOM 301 C GLY A 20 8.224 -1.851 10.003 1.00 0.00 C ATOM 302 O GLY A 20 7.962 -0.741 10.421 1.00 0.00 O ATOM 0 H GLY A 20 7.735 -4.860 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.291 -3.133 11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.005 -2.879 11.734 1.00 0.00 H new ATOM 306 N VAL A 21 8.493 -2.027 8.727 1.00 0.00 N ATOM 307 CA VAL A 21 8.477 -0.850 7.799 1.00 0.00 C ATOM 308 C VAL A 21 7.119 -0.768 7.112 1.00 0.00 C ATOM 309 O VAL A 21 6.488 -1.771 6.841 1.00 0.00 O ATOM 310 CB VAL A 21 9.525 -1.035 6.697 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.502 0.164 5.753 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.926 -1.204 7.285 1.00 0.00 C ATOM 0 H VAL A 21 8.720 -2.922 8.294 1.00 0.00 H new ATOM 0 HA VAL A 21 8.684 0.049 8.380 1.00 0.00 H new ATOM 0 HB VAL A 21 9.278 -1.941 6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.249 0.026 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.515 0.251 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.725 1.072 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.646 -1.333 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.186 -0.319 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.946 -2.081 7.932 1.00 0.00 H new ATOM 322 N SER A 22 6.669 0.414 6.793 1.00 0.00 N ATOM 323 CA SER A 22 5.359 0.542 6.103 1.00 0.00 C ATOM 324 C SER A 22 5.582 0.434 4.589 1.00 0.00 C ATOM 325 O SER A 22 6.556 0.931 4.066 1.00 0.00 O ATOM 326 CB SER A 22 4.723 1.893 6.430 1.00 0.00 C ATOM 327 OG SER A 22 5.689 2.921 6.271 1.00 0.00 O ATOM 0 H SER A 22 7.151 1.293 6.980 1.00 0.00 H new ATOM 0 HA SER A 22 4.692 -0.252 6.440 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.872 2.075 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.343 1.891 7.452 1.00 0.00 H new ATOM 0 HG SER A 22 5.810 3.391 7.122 1.00 0.00 H new ATOM 333 N LEU A 23 4.693 -0.204 3.883 1.00 0.00 N ATOM 334 CA LEU A 23 4.874 -0.323 2.407 1.00 0.00 C ATOM 335 C LEU A 23 5.161 1.058 1.830 1.00 0.00 C ATOM 336 O LEU A 23 5.986 1.222 0.960 1.00 0.00 O ATOM 337 CB LEU A 23 3.587 -0.851 1.769 1.00 0.00 C ATOM 338 CG LEU A 23 3.359 -2.327 2.139 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.046 -2.792 1.501 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.521 -3.198 1.614 1.00 0.00 C ATOM 0 H LEU A 23 3.854 -0.646 4.258 1.00 0.00 H new ATOM 0 HA LEU A 23 5.698 -1.006 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.739 -0.253 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.644 -0.748 0.685 1.00 0.00 H new ATOM 0 HG LEU A 23 3.311 -2.427 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.869 -3.837 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.223 -2.184 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.110 -2.686 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.346 -4.240 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.581 -3.109 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.458 -2.861 2.058 1.00 0.00 H new ATOM 352 N MET A 24 4.479 2.051 2.318 1.00 0.00 N ATOM 353 CA MET A 24 4.695 3.428 1.816 1.00 0.00 C ATOM 354 C MET A 24 6.148 3.845 2.075 1.00 0.00 C ATOM 355 O MET A 24 6.770 4.493 1.260 1.00 0.00 O ATOM 356 CB MET A 24 3.746 4.376 2.552 1.00 0.00 C ATOM 357 CG MET A 24 3.868 5.820 2.002 1.00 0.00 C ATOM 358 SD MET A 24 3.764 7.003 3.370 1.00 0.00 S ATOM 359 CE MET A 24 5.532 7.059 3.753 1.00 0.00 C ATOM 0 H MET A 24 3.774 1.965 3.051 1.00 0.00 H new ATOM 0 HA MET A 24 4.499 3.469 0.745 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.719 4.027 2.442 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.973 4.368 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.815 5.940 1.475 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.075 6.013 1.280 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.703 7.742 4.585 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.877 6.062 4.026 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.083 7.407 2.879 1.00 0.00 H new ATOM 369 N GLN A 25 6.695 3.490 3.205 1.00 0.00 N ATOM 370 CA GLN A 25 8.104 3.886 3.500 1.00 0.00 C ATOM 371 C GLN A 25 9.024 3.321 2.411 1.00 0.00 C ATOM 372 O GLN A 25 9.747 4.053 1.767 1.00 0.00 O ATOM 373 CB GLN A 25 8.529 3.351 4.878 1.00 0.00 C ATOM 374 CG GLN A 25 8.118 4.339 5.980 1.00 0.00 C ATOM 375 CD GLN A 25 8.162 3.639 7.340 1.00 0.00 C ATOM 376 OE1 GLN A 25 7.118 3.689 8.119 1.00 0.00 O flip ATOM 377 NE2 GLN A 25 9.157 3.038 7.689 1.00 0.00 N flip ATOM 0 H GLN A 25 6.232 2.946 3.934 1.00 0.00 H new ATOM 0 HA GLN A 25 8.179 4.973 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.066 2.381 5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.608 3.198 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.788 5.198 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.114 4.718 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.972 3.001 7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.178 2.570 8.595 1.00 0.00 H new ATOM 386 N ALA A 26 9.012 2.032 2.196 1.00 0.00 N ATOM 387 CA ALA A 26 9.906 1.466 1.134 1.00 0.00 C ATOM 388 C ALA A 26 9.479 1.949 -0.249 1.00 0.00 C ATOM 389 O ALA A 26 10.284 2.026 -1.159 1.00 0.00 O ATOM 390 CB ALA A 26 9.850 -0.056 1.178 1.00 0.00 C ATOM 0 H ALA A 26 8.436 1.355 2.696 1.00 0.00 H new ATOM 0 HA ALA A 26 10.924 1.806 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.500 -0.466 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.183 -0.404 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.826 -0.388 1.004 1.00 0.00 H new ATOM 396 N ALA A 27 8.231 2.285 -0.440 1.00 0.00 N ATOM 397 CA ALA A 27 7.777 2.769 -1.766 1.00 0.00 C ATOM 398 C ALA A 27 8.466 4.098 -2.091 1.00 0.00 C ATOM 399 O ALA A 27 8.967 4.305 -3.179 1.00 0.00 O ATOM 400 CB ALA A 27 6.264 2.980 -1.705 1.00 0.00 C ATOM 0 H ALA A 27 7.505 2.243 0.275 1.00 0.00 H new ATOM 0 HA ALA A 27 8.027 2.042 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.907 3.337 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.775 2.037 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.030 3.717 -0.937 1.00 0.00 H new ATOM 406 N VAL A 28 8.491 5.003 -1.151 1.00 0.00 N ATOM 407 CA VAL A 28 9.139 6.325 -1.391 1.00 0.00 C ATOM 408 C VAL A 28 10.644 6.140 -1.590 1.00 0.00 C ATOM 409 O VAL A 28 11.313 6.987 -2.145 1.00 0.00 O ATOM 410 CB VAL A 28 8.895 7.229 -0.178 1.00 0.00 C ATOM 411 CG1 VAL A 28 9.682 8.533 -0.339 1.00 0.00 C ATOM 412 CG2 VAL A 28 7.400 7.544 -0.080 1.00 0.00 C ATOM 0 H VAL A 28 8.088 4.883 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 28 8.714 6.779 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 28 9.225 6.721 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.506 9.173 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.746 8.309 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.355 9.046 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.219 8.187 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.075 8.053 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.840 6.616 0.036 1.00 0.00 H new ATOM 422 N SER A 29 11.184 5.049 -1.131 1.00 0.00 N ATOM 423 CA SER A 29 12.653 4.806 -1.274 1.00 0.00 C ATOM 424 C SER A 29 12.928 4.156 -2.627 1.00 0.00 C ATOM 425 O SER A 29 14.036 4.179 -3.123 1.00 0.00 O ATOM 426 CB SER A 29 13.091 3.863 -0.154 1.00 0.00 C ATOM 427 OG SER A 29 13.792 2.746 -0.691 1.00 0.00 O ATOM 0 H SER A 29 10.670 4.306 -0.658 1.00 0.00 H new ATOM 0 HA SER A 29 13.203 5.745 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.729 4.396 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.219 3.520 0.403 1.00 0.00 H new ATOM 0 HG SER A 29 14.068 2.152 0.038 1.00 0.00 H new ATOM 433 N ASN A 30 11.913 3.600 -3.230 1.00 0.00 N ATOM 434 CA ASN A 30 12.074 2.966 -4.563 1.00 0.00 C ATOM 435 C ASN A 30 11.337 3.821 -5.582 1.00 0.00 C ATOM 436 O ASN A 30 11.089 3.402 -6.700 1.00 0.00 O ATOM 437 CB ASN A 30 11.466 1.572 -4.527 1.00 0.00 C ATOM 438 CG ASN A 30 12.395 0.637 -3.749 1.00 0.00 C ATOM 439 OD1 ASN A 30 12.997 -0.250 -4.322 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.533 0.798 -2.466 1.00 0.00 N ATOM 0 H ASN A 30 10.968 3.559 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 30 13.128 2.889 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.484 1.603 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.321 1.199 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.148 0.179 -1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.026 1.543 -1.988 1.00 0.00 H new ATOM 447 N GLY A 31 11.030 5.041 -5.229 1.00 0.00 N ATOM 448 CA GLY A 31 10.357 5.946 -6.215 1.00 0.00 C ATOM 449 C GLY A 31 9.065 5.316 -6.743 1.00 0.00 C ATOM 450 O GLY A 31 8.915 5.136 -7.934 1.00 0.00 O ATOM 0 H GLY A 31 11.212 5.449 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.133 6.902 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.032 6.151 -7.046 1.00 0.00 H new ATOM 454 N ILE A 32 8.135 4.966 -5.882 1.00 0.00 N ATOM 455 CA ILE A 32 6.858 4.334 -6.368 1.00 0.00 C ATOM 456 C ILE A 32 5.642 5.180 -6.007 1.00 0.00 C ATOM 457 O ILE A 32 4.867 5.550 -6.866 1.00 0.00 O ATOM 458 CB ILE A 32 6.704 2.948 -5.744 1.00 0.00 C ATOM 459 CG1 ILE A 32 7.825 2.050 -6.251 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.352 2.350 -6.142 1.00 0.00 C ATOM 461 CD1 ILE A 32 7.780 0.675 -5.566 1.00 0.00 C ATOM 0 H ILE A 32 8.202 5.088 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 32 6.914 4.258 -7.454 1.00 0.00 H new ATOM 0 HB ILE A 32 6.754 3.027 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.737 1.926 -7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.789 2.523 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.246 1.361 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.550 2.997 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.297 2.265 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.591 0.053 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.893 0.801 -4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.825 0.195 -5.777 1.00 0.00 H new ATOM 616 N CYS A 45 -4.105 11.162 5.462 1.00 0.00 N ATOM 617 CA CYS A 45 -4.560 11.492 4.079 1.00 0.00 C ATOM 618 C CYS A 45 -5.130 10.238 3.415 1.00 0.00 C ATOM 619 O CYS A 45 -5.119 9.162 3.978 1.00 0.00 O ATOM 620 CB CYS A 45 -3.382 12.038 3.252 1.00 0.00 C ATOM 621 SG CYS A 45 -2.391 10.681 2.560 1.00 0.00 S ATOM 0 HA CYS A 45 -5.336 12.256 4.129 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.759 12.666 2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.753 12.669 3.880 1.00 0.00 H new ATOM 0 HG CYS A 45 -1.704 11.118 1.546 1.00 0.00 H new ATOM 626 N ALA A 46 -5.625 10.377 2.210 1.00 0.00 N ATOM 627 CA ALA A 46 -6.200 9.211 1.471 1.00 0.00 C ATOM 628 C ALA A 46 -5.440 9.058 0.150 1.00 0.00 C ATOM 629 O ALA A 46 -5.875 8.377 -0.751 1.00 0.00 O ATOM 630 CB ALA A 46 -7.690 9.475 1.196 1.00 0.00 C ATOM 0 H ALA A 46 -5.655 11.260 1.701 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.105 8.297 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.116 8.629 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.217 9.606 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.795 10.378 0.594 1.00 0.00 H new ATOM 636 N THR A 47 -4.306 9.698 0.044 1.00 0.00 N ATOM 637 CA THR A 47 -3.514 9.603 -1.216 1.00 0.00 C ATOM 638 C THR A 47 -2.975 8.184 -1.375 1.00 0.00 C ATOM 639 O THR A 47 -2.796 7.701 -2.476 1.00 0.00 O ATOM 640 CB THR A 47 -2.341 10.588 -1.159 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.544 10.309 -0.014 1.00 0.00 O ATOM 642 CG2 THR A 47 -2.872 12.020 -1.074 1.00 0.00 C ATOM 0 H THR A 47 -3.895 10.281 0.773 1.00 0.00 H new ATOM 0 HA THR A 47 -4.154 9.847 -2.064 1.00 0.00 H new ATOM 0 HB THR A 47 -1.737 10.481 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.107 9.929 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.035 12.717 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.481 12.235 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.479 12.130 -0.176 1.00 0.00 H new ATOM 650 N CYS A 48 -2.706 7.515 -0.292 1.00 0.00 N ATOM 651 CA CYS A 48 -2.166 6.130 -0.378 1.00 0.00 C ATOM 652 C CYS A 48 -3.277 5.148 -0.771 1.00 0.00 C ATOM 653 O CYS A 48 -3.342 4.045 -0.284 1.00 0.00 O ATOM 654 CB CYS A 48 -1.574 5.732 0.966 1.00 0.00 C ATOM 655 SG CYS A 48 -2.715 6.194 2.293 1.00 0.00 S ATOM 0 H CYS A 48 -2.837 7.869 0.656 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.388 6.098 -1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.389 4.658 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.613 6.225 1.111 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.159 5.959 3.445 1.00 0.00 H new ATOM 660 N HIS A 49 -4.145 5.545 -1.659 1.00 0.00 N ATOM 661 CA HIS A 49 -5.254 4.646 -2.102 1.00 0.00 C ATOM 662 C HIS A 49 -4.674 3.508 -2.963 1.00 0.00 C ATOM 663 O HIS A 49 -4.284 3.726 -4.089 1.00 0.00 O ATOM 664 CB HIS A 49 -6.219 5.496 -2.942 1.00 0.00 C ATOM 665 CG HIS A 49 -7.222 4.650 -3.685 1.00 0.00 C ATOM 666 ND1 HIS A 49 -8.090 3.758 -3.072 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.514 4.584 -5.018 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.853 3.196 -4.039 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.536 3.669 -5.238 1.00 0.00 N ATOM 0 H HIS A 49 -4.135 6.463 -2.103 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.771 4.207 -1.248 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.746 6.194 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.649 6.092 -3.655 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -8.144 3.561 -2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.022 5.159 -5.788 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.621 2.458 -3.858 1.00 0.00 H new ATOM 678 N VAL A 50 -4.624 2.291 -2.451 1.00 0.00 N ATOM 679 CA VAL A 50 -4.081 1.151 -3.267 1.00 0.00 C ATOM 680 C VAL A 50 -4.939 -0.079 -2.999 1.00 0.00 C ATOM 681 O VAL A 50 -5.792 -0.069 -2.136 1.00 0.00 O ATOM 682 CB VAL A 50 -2.598 0.855 -2.916 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.889 2.149 -2.511 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.490 -0.165 -1.764 1.00 0.00 C ATOM 0 H VAL A 50 -4.934 2.043 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.116 1.419 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.123 0.432 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.849 1.933 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.927 2.859 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.385 2.578 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.440 -0.352 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.984 0.233 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.970 -1.098 -2.058 1.00 0.00 H new ATOM 694 N TYR A 51 -4.728 -1.134 -3.740 1.00 0.00 N ATOM 695 CA TYR A 51 -5.526 -2.371 -3.545 1.00 0.00 C ATOM 696 C TYR A 51 -4.586 -3.528 -3.170 1.00 0.00 C ATOM 697 O TYR A 51 -3.761 -3.971 -3.948 1.00 0.00 O ATOM 698 CB TYR A 51 -6.234 -2.639 -4.863 1.00 0.00 C ATOM 699 CG TYR A 51 -7.226 -1.525 -5.114 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.484 -1.511 -4.487 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.877 -0.485 -5.982 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.377 -0.463 -4.742 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.770 0.550 -6.228 1.00 0.00 C ATOM 704 CZ TYR A 51 -9.010 0.565 -5.620 1.00 0.00 C ATOM 705 OH TYR A 51 -9.873 1.594 -5.897 1.00 0.00 O ATOM 0 H TYR A 51 -4.028 -1.188 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.254 -2.269 -2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.511 -2.692 -5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.746 -3.601 -4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.761 -2.306 -3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.910 -0.487 -6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.345 -0.447 -4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.493 1.349 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.361 2.393 -6.141 1.00 0.00 H new ATOM 715 N VAL A 52 -4.731 -4.006 -1.971 1.00 0.00 N ATOM 716 CA VAL A 52 -3.883 -5.133 -1.477 1.00 0.00 C ATOM 717 C VAL A 52 -4.544 -6.455 -1.830 1.00 0.00 C ATOM 718 O VAL A 52 -5.728 -6.641 -1.625 1.00 0.00 O ATOM 719 CB VAL A 52 -3.728 -5.079 0.038 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.877 -6.280 0.523 1.00 0.00 C ATOM 721 CG2 VAL A 52 -3.056 -3.762 0.446 1.00 0.00 C ATOM 0 H VAL A 52 -5.413 -3.660 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.903 -5.046 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.714 -5.133 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.770 -6.236 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.370 -7.211 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.892 -6.239 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.948 -3.729 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.072 -3.696 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.670 -2.923 0.117 1.00 0.00 H new ATOM 731 N ASN A 53 -3.792 -7.393 -2.330 1.00 0.00 N ATOM 732 CA ASN A 53 -4.408 -8.703 -2.650 1.00 0.00 C ATOM 733 C ASN A 53 -5.080 -9.227 -1.374 1.00 0.00 C ATOM 734 O ASN A 53 -4.451 -9.361 -0.351 1.00 0.00 O ATOM 735 CB ASN A 53 -3.329 -9.671 -3.147 1.00 0.00 C ATOM 736 CG ASN A 53 -3.831 -11.118 -3.094 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.997 -11.366 -2.864 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.988 -12.091 -3.313 1.00 0.00 N ATOM 0 H ASN A 53 -2.795 -7.310 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.153 -8.605 -3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.048 -9.416 -4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.433 -9.569 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.309 -13.059 -3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.008 -11.883 -3.506 1.00 0.00 H new ATOM 745 N GLU A 54 -6.366 -9.462 -1.425 1.00 0.00 N ATOM 746 CA GLU A 54 -7.122 -9.932 -0.224 1.00 0.00 C ATOM 747 C GLU A 54 -6.389 -11.068 0.502 1.00 0.00 C ATOM 748 O GLU A 54 -6.846 -11.540 1.528 1.00 0.00 O ATOM 749 CB GLU A 54 -8.498 -10.437 -0.657 1.00 0.00 C ATOM 750 CG GLU A 54 -8.330 -11.591 -1.655 1.00 0.00 C ATOM 751 CD GLU A 54 -9.705 -12.045 -2.147 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.692 -11.574 -1.602 1.00 0.00 O ATOM 753 OE2 GLU A 54 -9.750 -12.856 -3.053 1.00 0.00 O ATOM 0 H GLU A 54 -6.935 -9.346 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.215 -9.089 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.064 -10.773 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.067 -9.627 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.718 -11.270 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.809 -12.423 -1.181 1.00 0.00 H new ATOM 760 N ALA A 55 -5.278 -11.527 0.001 1.00 0.00 N ATOM 761 CA ALA A 55 -4.563 -12.644 0.679 1.00 0.00 C ATOM 762 C ALA A 55 -3.633 -12.127 1.782 1.00 0.00 C ATOM 763 O ALA A 55 -3.182 -12.899 2.603 1.00 0.00 O ATOM 764 CB ALA A 55 -3.734 -13.416 -0.342 1.00 0.00 C ATOM 0 H ALA A 55 -4.834 -11.178 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.312 -13.293 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.212 -14.233 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.390 -13.821 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.006 -12.747 -0.801 1.00 0.00 H new ATOM 770 N PHE A 56 -3.325 -10.847 1.839 1.00 0.00 N ATOM 771 CA PHE A 56 -2.415 -10.319 2.908 1.00 0.00 C ATOM 772 C PHE A 56 -3.213 -9.320 3.750 1.00 0.00 C ATOM 773 O PHE A 56 -2.754 -8.823 4.754 1.00 0.00 O ATOM 774 CB PHE A 56 -1.237 -9.605 2.220 1.00 0.00 C ATOM 775 CG PHE A 56 -0.443 -10.625 1.432 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.974 -11.172 0.256 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.809 -11.050 1.885 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.260 -12.146 -0.446 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.525 -12.018 1.177 1.00 0.00 C ATOM 780 CZ PHE A 56 0.989 -12.573 0.009 1.00 0.00 C ATOM 0 H PHE A 56 -3.669 -10.143 1.185 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.036 -11.118 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.605 -8.820 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.601 -9.124 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.935 -10.840 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.225 -10.628 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.677 -12.572 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.494 -12.339 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.538 -13.326 -0.536 1.00 0.00 H new ATOM 790 N THR A 57 -4.415 -9.035 3.329 1.00 0.00 N ATOM 791 CA THR A 57 -5.283 -8.073 4.069 1.00 0.00 C ATOM 792 C THR A 57 -5.698 -8.659 5.423 1.00 0.00 C ATOM 793 O THR A 57 -5.773 -7.960 6.415 1.00 0.00 O ATOM 794 CB THR A 57 -6.556 -7.805 3.259 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.110 -9.041 2.835 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.234 -6.949 2.039 1.00 0.00 C ATOM 0 H THR A 57 -4.839 -9.434 2.491 1.00 0.00 H new ATOM 0 HA THR A 57 -4.721 -7.152 4.222 1.00 0.00 H new ATOM 0 HB THR A 57 -7.272 -7.273 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.995 -8.886 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.147 -6.766 1.472 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.811 -5.998 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.514 -7.470 1.409 1.00 0.00 H new ATOM 804 N ASP A 58 -6.000 -9.929 5.466 1.00 0.00 N ATOM 805 CA ASP A 58 -6.446 -10.550 6.751 1.00 0.00 C ATOM 806 C ASP A 58 -5.259 -11.183 7.468 1.00 0.00 C ATOM 807 O ASP A 58 -5.418 -11.952 8.396 1.00 0.00 O ATOM 808 CB ASP A 58 -7.506 -11.616 6.448 1.00 0.00 C ATOM 809 CG ASP A 58 -6.855 -12.821 5.762 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.764 -12.662 5.247 1.00 0.00 O ATOM 811 OD2 ASP A 58 -7.460 -13.878 5.772 1.00 0.00 O ATOM 0 H ASP A 58 -5.958 -10.564 4.669 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.872 -9.783 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.991 -11.931 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.282 -11.197 5.807 1.00 0.00 H new ATOM 816 N LYS A 59 -4.073 -10.860 7.040 1.00 0.00 N ATOM 817 CA LYS A 59 -2.848 -11.420 7.676 1.00 0.00 C ATOM 818 C LYS A 59 -2.032 -10.267 8.259 1.00 0.00 C ATOM 819 O LYS A 59 -1.587 -10.306 9.385 1.00 0.00 O ATOM 820 CB LYS A 59 -2.050 -12.145 6.590 1.00 0.00 C ATOM 821 CG LYS A 59 -3.021 -12.934 5.691 1.00 0.00 C ATOM 822 CD LYS A 59 -2.281 -14.056 4.937 1.00 0.00 C ATOM 823 CE LYS A 59 -1.738 -15.112 5.923 1.00 0.00 C ATOM 824 NZ LYS A 59 -1.735 -16.446 5.258 1.00 0.00 N ATOM 0 H LYS A 59 -3.897 -10.222 6.264 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.095 -12.117 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.487 -11.426 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.325 -12.821 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.819 -13.362 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.492 -12.259 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.957 -14.530 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.458 -13.632 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.729 -14.847 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.356 -15.141 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.370 -17.162 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.705 -16.696 4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.128 -16.412 4.414 1.00 0.00 H new ATOM 838 N VAL A 60 -1.840 -9.242 7.483 1.00 0.00 N ATOM 839 CA VAL A 60 -1.056 -8.065 7.964 1.00 0.00 C ATOM 840 C VAL A 60 -1.931 -7.324 9.003 1.00 0.00 C ATOM 841 O VAL A 60 -3.128 -7.528 9.051 1.00 0.00 O ATOM 842 CB VAL A 60 -0.664 -7.212 6.707 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.346 -5.824 6.684 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.889 -7.088 6.560 1.00 0.00 C ATOM 0 H VAL A 60 -2.193 -9.164 6.529 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.124 -8.325 8.465 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.042 -7.754 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.036 -5.281 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.429 -5.951 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.055 -5.261 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.125 -6.491 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.301 -6.605 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.325 -8.081 6.452 1.00 0.00 H new ATOM 854 N PRO A 61 -1.347 -6.525 9.868 1.00 0.00 N ATOM 855 CA PRO A 61 -2.115 -5.829 10.947 1.00 0.00 C ATOM 856 C PRO A 61 -3.311 -5.007 10.432 1.00 0.00 C ATOM 857 O PRO A 61 -3.164 -4.049 9.699 1.00 0.00 O ATOM 858 CB PRO A 61 -1.080 -4.942 11.679 1.00 0.00 C ATOM 859 CG PRO A 61 0.209 -5.037 10.903 1.00 0.00 C ATOM 860 CD PRO A 61 0.085 -6.201 9.903 1.00 0.00 C ATOM 0 HA PRO A 61 -2.577 -6.560 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.424 -3.909 11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.938 -5.281 12.705 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.405 -4.103 10.376 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.048 -5.204 11.579 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.448 -5.913 8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.676 -7.060 10.222 1.00 0.00 H new ATOM 868 N ALA A 62 -4.496 -5.410 10.818 1.00 0.00 N ATOM 869 CA ALA A 62 -5.735 -4.726 10.393 1.00 0.00 C ATOM 870 C ALA A 62 -5.561 -3.219 10.456 1.00 0.00 C ATOM 871 O ALA A 62 -5.060 -2.648 11.403 1.00 0.00 O ATOM 872 CB ALA A 62 -6.884 -5.134 11.313 1.00 0.00 C ATOM 0 H ALA A 62 -4.650 -6.212 11.430 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.956 -5.016 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.798 -4.629 10.999 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.028 -6.213 11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.647 -4.851 12.339 1.00 0.00 H new ATOM 878 N ALA A 63 -5.985 -2.593 9.414 1.00 0.00 N ATOM 879 CA ALA A 63 -5.888 -1.110 9.302 1.00 0.00 C ATOM 880 C ALA A 63 -6.775 -0.428 10.363 1.00 0.00 C ATOM 881 O ALA A 63 -7.816 -0.925 10.748 1.00 0.00 O ATOM 882 CB ALA A 63 -6.344 -0.690 7.900 1.00 0.00 C ATOM 0 H ALA A 63 -6.408 -3.051 8.607 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.855 -0.803 9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.278 0.394 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.704 -1.159 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.376 -1.005 7.743 1.00 0.00 H new ATOM 888 N ASN A 64 -6.342 0.707 10.838 1.00 0.00 N ATOM 889 CA ASN A 64 -7.129 1.431 11.881 1.00 0.00 C ATOM 890 C ASN A 64 -8.362 2.081 11.241 1.00 0.00 C ATOM 891 O ASN A 64 -8.377 2.400 10.073 1.00 0.00 O ATOM 892 CB ASN A 64 -6.261 2.502 12.568 1.00 0.00 C ATOM 893 CG ASN A 64 -5.190 3.002 11.596 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.314 2.841 10.393 1.00 0.00 O ATOM 895 ND2 ASN A 64 -4.138 3.611 12.068 1.00 0.00 N ATOM 0 H ASN A 64 -5.478 1.166 10.550 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.452 0.715 12.637 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.885 3.334 12.896 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.791 2.086 13.459 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.418 3.953 11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.035 3.745 13.074 1.00 0.00 H new ATOM 902 N GLU A 65 -9.401 2.241 12.019 1.00 0.00 N ATOM 903 CA GLU A 65 -10.673 2.830 11.491 1.00 0.00 C ATOM 904 C GLU A 65 -10.511 4.317 11.162 1.00 0.00 C ATOM 905 O GLU A 65 -11.397 4.927 10.599 1.00 0.00 O ATOM 906 CB GLU A 65 -11.789 2.658 12.529 1.00 0.00 C ATOM 907 CG GLU A 65 -11.335 3.201 13.899 1.00 0.00 C ATOM 908 CD GLU A 65 -10.500 2.147 14.629 1.00 0.00 C ATOM 909 OE1 GLU A 65 -11.079 1.180 15.099 1.00 0.00 O ATOM 910 OE2 GLU A 65 -9.295 2.326 14.720 1.00 0.00 O ATOM 0 H GLU A 65 -9.425 1.987 13.007 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.930 2.304 10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.685 3.185 12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.053 1.604 12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.750 4.110 13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.204 3.468 14.500 1.00 0.00 H new ATOM 917 N ARG A 66 -9.400 4.913 11.482 1.00 0.00 N ATOM 918 CA ARG A 66 -9.234 6.348 11.152 1.00 0.00 C ATOM 919 C ARG A 66 -9.022 6.477 9.644 1.00 0.00 C ATOM 920 O ARG A 66 -9.430 7.440 9.017 1.00 0.00 O ATOM 921 CB ARG A 66 -8.026 6.905 11.899 1.00 0.00 C ATOM 922 CG ARG A 66 -8.398 7.142 13.372 1.00 0.00 C ATOM 923 CD ARG A 66 -7.239 7.836 14.124 1.00 0.00 C ATOM 924 NE ARG A 66 -6.689 6.909 15.162 1.00 0.00 N ATOM 925 CZ ARG A 66 -6.198 7.379 16.285 1.00 0.00 C ATOM 926 NH1 ARG A 66 -6.255 8.659 16.555 1.00 0.00 N ATOM 927 NH2 ARG A 66 -5.654 6.566 17.154 1.00 0.00 N ATOM 0 H ARG A 66 -8.609 4.473 11.952 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.120 6.910 11.449 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.190 6.208 11.832 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.700 7.839 11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.296 7.757 13.431 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.631 6.191 13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.455 8.119 13.422 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.594 8.754 14.593 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.696 5.903 14.995 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.684 9.302 15.890 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.870 9.013 17.431 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.611 5.566 16.959 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.273 6.933 18.026 1.00 0.00 H new ATOM 941 N GLU A 67 -8.383 5.507 9.050 1.00 0.00 N ATOM 942 CA GLU A 67 -8.131 5.550 7.582 1.00 0.00 C ATOM 943 C GLU A 67 -9.396 5.133 6.823 1.00 0.00 C ATOM 944 O GLU A 67 -9.658 5.611 5.733 1.00 0.00 O ATOM 945 CB GLU A 67 -6.981 4.596 7.248 1.00 0.00 C ATOM 946 CG GLU A 67 -5.643 5.238 7.635 1.00 0.00 C ATOM 947 CD GLU A 67 -5.707 5.725 9.088 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.187 4.978 9.924 1.00 0.00 O ATOM 949 OE2 GLU A 67 -5.277 6.837 9.334 1.00 0.00 O ATOM 0 H GLU A 67 -8.021 4.679 9.523 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.864 6.564 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.111 3.655 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.988 4.362 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.835 4.516 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.423 6.073 6.970 1.00 0.00 H new ATOM 956 N ILE A 68 -10.191 4.252 7.374 1.00 0.00 N ATOM 957 CA ILE A 68 -11.437 3.826 6.661 1.00 0.00 C ATOM 958 C ILE A 68 -12.198 5.086 6.230 1.00 0.00 C ATOM 959 O ILE A 68 -12.639 5.205 5.108 1.00 0.00 O ATOM 960 CB ILE A 68 -12.299 2.963 7.619 1.00 0.00 C ATOM 961 CG1 ILE A 68 -11.843 1.495 7.560 1.00 0.00 C ATOM 962 CG2 ILE A 68 -13.782 3.031 7.225 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.324 1.398 7.714 1.00 0.00 C ATOM 0 H ILE A 68 -10.035 3.811 8.280 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.199 3.230 5.780 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.174 3.354 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.331 0.925 8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.147 1.052 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.369 2.419 7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.125 4.064 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.906 2.658 6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.020 0.352 7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.841 1.951 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.028 1.822 8.674 1.00 0.00 H new ATOM 975 N GLY A 69 -12.345 6.022 7.124 1.00 0.00 N ATOM 976 CA GLY A 69 -13.067 7.276 6.763 1.00 0.00 C ATOM 977 C GLY A 69 -12.316 7.988 5.640 1.00 0.00 C ATOM 978 O GLY A 69 -12.894 8.726 4.861 1.00 0.00 O ATOM 0 H GLY A 69 -12.000 5.976 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.084 7.045 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.145 7.927 7.633 1.00 0.00 H new ATOM 982 N MET A 70 -11.035 7.754 5.519 1.00 0.00 N ATOM 983 CA MET A 70 -10.254 8.397 4.428 1.00 0.00 C ATOM 984 C MET A 70 -10.447 7.576 3.156 1.00 0.00 C ATOM 985 O MET A 70 -10.491 8.101 2.059 1.00 0.00 O ATOM 986 CB MET A 70 -8.775 8.418 4.809 1.00 0.00 C ATOM 987 CG MET A 70 -8.621 9.079 6.184 1.00 0.00 C ATOM 988 SD MET A 70 -6.880 9.054 6.673 1.00 0.00 S ATOM 989 CE MET A 70 -7.149 9.137 8.468 1.00 0.00 C ATOM 0 H MET A 70 -10.497 7.142 6.133 1.00 0.00 H new ATOM 0 HA MET A 70 -10.593 9.420 4.268 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.378 7.403 4.833 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.202 8.967 4.062 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.985 10.106 6.149 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.225 8.552 6.923 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.336 9.696 8.932 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.096 9.637 8.671 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.176 8.128 8.879 1.00 0.00 H new ATOM 999 N LEU A 71 -10.579 6.287 3.304 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.789 5.415 2.113 1.00 0.00 C ATOM 1001 C LEU A 71 -12.054 5.884 1.396 1.00 0.00 C ATOM 1002 O LEU A 71 -12.170 5.785 0.190 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.947 3.955 2.586 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.585 3.227 2.577 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.647 2.005 3.520 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.236 2.759 1.151 1.00 0.00 C ATOM 0 H LEU A 71 -10.551 5.799 4.199 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.941 5.473 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.368 3.937 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.649 3.431 1.937 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.814 3.918 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.686 1.491 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.874 2.338 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.426 1.322 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.273 2.248 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.006 2.075 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.181 3.622 0.488 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.994 6.424 2.109 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.232 6.920 1.457 1.00 0.00 C ATOM 1020 C GLU A 72 -13.923 8.263 0.796 1.00 0.00 C ATOM 1021 O GLU A 72 -14.754 8.853 0.129 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.314 7.087 2.538 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.510 7.863 1.976 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.724 7.686 2.890 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.675 6.820 3.752 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -18.682 8.421 2.717 1.00 0.00 O ATOM 0 H GLU A 72 -12.959 6.545 3.121 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.588 6.222 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.640 6.108 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.901 7.614 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.260 8.920 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.745 7.508 0.972 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.721 8.752 0.986 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.321 10.073 0.403 1.00 0.00 C ATOM 1035 C CYS A 73 -11.330 9.892 -0.762 1.00 0.00 C ATOM 1036 O CYS A 73 -10.778 10.860 -1.245 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.673 10.923 1.528 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.566 12.490 1.724 1.00 0.00 S ATOM 0 H CYS A 73 -11.991 8.287 1.526 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.203 10.575 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.687 10.369 2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.628 11.119 1.289 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.013 13.189 2.670 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.082 8.689 -1.230 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.114 8.533 -2.361 1.00 0.00 C ATOM 1046 C VAL A 74 -10.794 8.899 -3.692 1.00 0.00 C ATOM 1047 O VAL A 74 -11.986 9.129 -3.748 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.596 7.096 -2.409 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -8.992 6.753 -1.055 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -10.739 6.130 -2.719 1.00 0.00 C ATOM 0 H VAL A 74 -11.500 7.825 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.271 9.206 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.844 7.006 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.617 5.730 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.171 7.437 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.755 6.847 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.355 5.110 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.501 6.207 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.177 6.382 -3.685 1.00 0.00 H new ATOM 1060 N THR A 75 -10.034 8.990 -4.749 1.00 0.00 N ATOM 1061 CA THR A 75 -10.619 9.386 -6.069 1.00 0.00 C ATOM 1062 C THR A 75 -11.078 8.167 -6.890 1.00 0.00 C ATOM 1063 O THR A 75 -11.925 8.306 -7.750 1.00 0.00 O ATOM 1064 CB THR A 75 -9.559 10.165 -6.884 1.00 0.00 C ATOM 1065 OG1 THR A 75 -8.271 9.654 -6.569 1.00 0.00 O ATOM 1066 CG2 THR A 75 -9.607 11.656 -6.536 1.00 0.00 C ATOM 0 H THR A 75 -9.031 8.807 -4.759 1.00 0.00 H new ATOM 0 HA THR A 75 -11.492 10.007 -5.869 1.00 0.00 H new ATOM 0 HB THR A 75 -9.766 10.045 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.592 10.141 -7.081 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.855 12.190 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.595 12.052 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.405 11.788 -5.473 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.538 6.985 -6.679 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.974 5.809 -7.511 1.00 0.00 C ATOM 1076 C ALA A 76 -12.043 4.986 -6.761 1.00 0.00 C ATOM 1077 O ALA A 76 -12.440 5.304 -5.664 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.736 4.938 -7.817 1.00 0.00 C ATOM 0 H ALA A 76 -9.825 6.784 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.416 6.159 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.035 4.080 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.002 5.529 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.297 4.589 -6.882 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.530 3.946 -7.393 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.605 3.082 -6.804 1.00 0.00 C ATOM 1086 C GLU A 77 -13.073 2.259 -5.618 1.00 0.00 C ATOM 1087 O GLU A 77 -12.077 1.592 -5.728 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.087 2.143 -7.933 1.00 0.00 C ATOM 1089 CG GLU A 77 -14.298 0.691 -7.464 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.952 -0.125 -8.580 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.371 0.473 -9.555 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.018 -1.335 -8.440 1.00 0.00 O ATOM 0 H GLU A 77 -12.219 3.651 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.420 3.697 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.022 2.526 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.358 2.154 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.342 0.246 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.926 0.675 -6.573 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.753 2.265 -4.511 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.274 1.447 -3.357 1.00 0.00 C ATOM 1101 C LEU A 78 -13.622 -0.018 -3.584 1.00 0.00 C ATOM 1102 O LEU A 78 -14.515 -0.371 -4.323 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.902 1.949 -2.041 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.827 1.937 -0.940 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.781 3.050 -1.204 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.481 2.111 0.441 1.00 0.00 C ATOM 0 H LEU A 78 -14.611 2.793 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.191 1.548 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.296 2.957 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.740 1.313 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.313 0.976 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.025 3.032 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.305 2.880 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.276 4.021 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.711 2.101 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.015 3.061 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.182 1.295 0.617 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.882 -0.859 -2.930 1.00 0.00 N ATOM 1119 CA LYS A 79 -13.073 -2.324 -3.047 1.00 0.00 C ATOM 1120 C LYS A 79 -13.411 -2.870 -1.660 1.00 0.00 C ATOM 1121 O LYS A 79 -13.089 -2.262 -0.660 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.732 -2.899 -3.501 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.590 -2.815 -5.030 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.363 -3.954 -5.714 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.929 -4.052 -7.184 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.458 -4.282 -7.256 1.00 0.00 N ATOM 0 H LYS A 79 -12.129 -0.583 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.869 -2.582 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.917 -2.353 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.649 -3.937 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.964 -1.853 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.537 -2.868 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.171 -4.897 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.435 -3.770 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.459 -4.867 -7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.190 -3.135 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.228 -4.787 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.963 -3.368 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.156 -4.853 -6.441 1.00 0.00 H new ATOM 1140 N PRO A 80 -14.025 -4.016 -1.573 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.353 -4.623 -0.264 1.00 0.00 C ATOM 1142 C PRO A 80 -13.068 -4.787 0.554 1.00 0.00 C ATOM 1143 O PRO A 80 -13.061 -4.632 1.763 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.988 -5.985 -0.617 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.629 -6.229 -2.053 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.472 -4.851 -2.693 1.00 0.00 C ATOM 0 HA PRO A 80 -15.030 -4.019 0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.602 -6.777 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.069 -5.962 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.705 -6.802 -2.131 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.405 -6.806 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.743 -4.863 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.411 -4.492 -3.114 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.979 -5.091 -0.112 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.664 -5.266 0.577 1.00 0.00 C ATOM 1156 C ASN A 81 -9.698 -4.137 0.172 1.00 0.00 C ATOM 1157 O ASN A 81 -8.495 -4.316 0.166 1.00 0.00 O ATOM 1158 CB ASN A 81 -10.080 -6.661 0.234 1.00 0.00 C ATOM 1159 CG ASN A 81 -9.113 -6.600 -0.949 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -8.043 -7.174 -0.908 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.442 -5.933 -2.023 1.00 0.00 N ATOM 0 H ASN A 81 -11.948 -5.227 -1.122 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.806 -5.210 1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.562 -7.062 1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.894 -7.348 0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.803 -5.898 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.338 -5.448 -2.067 1.00 0.00 H new ATOM 1168 N SER A 82 -10.205 -2.968 -0.140 1.00 0.00 N ATOM 1169 CA SER A 82 -9.315 -1.832 -0.504 1.00 0.00 C ATOM 1170 C SER A 82 -8.443 -1.506 0.708 1.00 0.00 C ATOM 1171 O SER A 82 -8.838 -1.712 1.840 1.00 0.00 O ATOM 1172 CB SER A 82 -10.179 -0.625 -0.868 1.00 0.00 C ATOM 1173 OG SER A 82 -9.742 -0.100 -2.108 1.00 0.00 O ATOM 0 H SER A 82 -11.203 -2.756 -0.157 1.00 0.00 H new ATOM 0 HA SER A 82 -8.684 -2.087 -1.355 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.227 -0.918 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.108 0.136 -0.091 1.00 0.00 H new ATOM 0 HG SER A 82 -9.453 -0.833 -2.690 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.242 -1.064 0.478 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.330 -0.804 1.633 1.00 0.00 C ATOM 1181 C ARG A 83 -5.378 0.360 1.347 1.00 0.00 C ATOM 1182 O ARG A 83 -5.216 0.792 0.223 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.531 -2.105 1.885 1.00 0.00 C ATOM 1184 CG ARG A 83 -6.080 -2.883 3.106 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.378 -2.433 4.394 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.272 -2.720 5.556 1.00 0.00 N ATOM 1187 CZ ARG A 83 -6.248 -3.880 6.160 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.401 -4.807 5.795 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -7.085 -4.108 7.131 1.00 0.00 N ATOM 0 H ARG A 83 -6.852 -0.872 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.912 -0.524 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.577 -2.738 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.481 -1.862 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.154 -2.720 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.931 -3.953 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.429 -2.957 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.150 -1.368 4.347 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.913 -1.998 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.749 -4.630 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.393 -5.707 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.749 -3.386 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.077 -5.008 7.610 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.746 0.863 2.378 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.792 1.993 2.220 1.00 0.00 C ATOM 1205 C LEU A 84 -2.372 1.423 2.128 1.00 0.00 C ATOM 1206 O LEU A 84 -2.184 0.228 2.145 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.890 2.935 3.421 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.312 3.524 3.549 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.717 4.245 2.255 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -6.333 2.410 3.872 1.00 0.00 C ATOM 0 H LEU A 84 -4.856 0.530 3.336 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.032 2.553 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.633 2.396 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.166 3.743 3.314 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.308 4.246 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.722 4.653 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.016 5.056 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.701 3.539 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.329 2.844 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.328 1.669 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.063 1.931 4.813 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.376 2.268 1.997 1.00 0.00 N ATOM 1223 CA CYS A 85 0.042 1.778 1.888 1.00 0.00 C ATOM 1224 C CYS A 85 0.896 2.260 3.070 1.00 0.00 C ATOM 1225 O CYS A 85 2.051 1.900 3.182 1.00 0.00 O ATOM 1226 CB CYS A 85 0.639 2.316 0.580 1.00 0.00 C ATOM 1227 SG CYS A 85 1.992 1.244 0.040 1.00 0.00 S ATOM 0 H CYS A 85 -1.482 3.282 1.960 1.00 0.00 H new ATOM 0 HA CYS A 85 0.040 0.688 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.131 2.362 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.004 3.332 0.727 1.00 0.00 H new ATOM 0 HG CYS A 85 2.493 1.702 -1.069 1.00 0.00 H new ATOM 1233 N CYS A 86 0.361 3.097 3.940 1.00 0.00 N ATOM 1234 CA CYS A 86 1.185 3.622 5.082 1.00 0.00 C ATOM 1235 C CYS A 86 0.868 2.905 6.406 1.00 0.00 C ATOM 1236 O CYS A 86 1.737 2.743 7.237 1.00 0.00 O ATOM 1237 CB CYS A 86 0.918 5.122 5.260 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.853 5.418 5.480 1.00 0.00 S ATOM 0 H CYS A 86 -0.601 3.435 3.907 1.00 0.00 H new ATOM 0 HA CYS A 86 2.231 3.439 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.467 5.497 6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.281 5.669 4.390 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.065 6.692 5.632 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.350 2.485 6.635 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.666 1.800 7.934 1.00 0.00 C ATOM 1245 C GLN A 87 -0.426 0.289 7.809 1.00 0.00 C ATOM 1246 O GLN A 87 -0.836 -0.483 8.659 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.127 2.064 8.320 1.00 0.00 C ATOM 1248 CG GLN A 87 -3.013 1.989 7.076 1.00 0.00 C ATOM 1249 CD GLN A 87 -4.479 1.893 7.504 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -4.777 1.423 8.584 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -5.413 2.324 6.700 1.00 0.00 N ATOM 0 H GLN A 87 -1.134 2.583 5.990 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.012 2.198 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.456 1.331 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.218 3.046 8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.861 2.871 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.741 1.123 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.163 2.719 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.392 2.266 6.979 1.00 0.00 H new ATOM 1260 N ILE A 88 0.226 -0.128 6.764 1.00 0.00 N ATOM 1261 CA ILE A 88 0.494 -1.593 6.560 1.00 0.00 C ATOM 1262 C ILE A 88 1.966 -1.911 6.813 1.00 0.00 C ATOM 1263 O ILE A 88 2.843 -1.374 6.192 1.00 0.00 O ATOM 1264 CB ILE A 88 0.091 -1.977 5.133 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.434 -1.885 5.059 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.560 -3.403 4.826 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -1.917 -2.096 3.630 1.00 0.00 C ATOM 0 H ILE A 88 0.591 0.481 6.032 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.095 -2.174 7.270 1.00 0.00 H new ATOM 0 HB ILE A 88 0.550 -1.312 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.881 -2.634 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.762 -0.910 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.270 -3.670 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.645 -3.458 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.099 -4.097 5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.004 -2.027 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.486 -1.331 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.606 -3.081 3.283 1.00 0.00 H new ATOM 1279 N ILE A 89 2.219 -2.782 7.763 1.00 0.00 N ATOM 1280 CA ILE A 89 3.622 -3.158 8.140 1.00 0.00 C ATOM 1281 C ILE A 89 4.036 -4.472 7.479 1.00 0.00 C ATOM 1282 O ILE A 89 3.401 -5.492 7.660 1.00 0.00 O ATOM 1283 CB ILE A 89 3.679 -3.362 9.649 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.154 -2.115 10.379 1.00 0.00 C ATOM 1285 CG2 ILE A 89 5.115 -3.648 10.086 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.905 -0.861 9.915 1.00 0.00 C ATOM 0 H ILE A 89 1.497 -3.258 8.304 1.00 0.00 H new ATOM 0 HA ILE A 89 4.292 -2.363 7.812 1.00 0.00 H new ATOM 0 HB ILE A 89 3.049 -4.213 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.087 -1.998 10.188 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.274 -2.240 11.455 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.145 -3.792 11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.474 -4.550 9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.752 -2.806 9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.519 0.011 10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.968 -0.973 10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.763 -0.728 8.843 1.00 0.00 H new ATOM 1298 N MET A 90 5.092 -4.460 6.712 1.00 0.00 N ATOM 1299 CA MET A 90 5.522 -5.716 6.048 1.00 0.00 C ATOM 1300 C MET A 90 6.280 -6.604 7.032 1.00 0.00 C ATOM 1301 O MET A 90 6.832 -6.148 8.011 1.00 0.00 O ATOM 1302 CB MET A 90 6.413 -5.410 4.833 1.00 0.00 C ATOM 1303 CG MET A 90 6.357 -6.595 3.862 1.00 0.00 C ATOM 1304 SD MET A 90 4.703 -6.660 3.117 1.00 0.00 S ATOM 1305 CE MET A 90 4.149 -8.254 3.796 1.00 0.00 C ATOM 0 H MET A 90 5.669 -3.641 6.520 1.00 0.00 H new ATOM 0 HA MET A 90 4.630 -6.242 5.706 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.074 -4.501 4.337 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.440 -5.234 5.154 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.116 -6.485 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.571 -7.525 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.271 -8.597 3.249 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.948 -8.989 3.697 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.896 -8.133 4.849 1.00 0.00 H new ATOM 1315 N THR A 91 6.324 -7.870 6.737 1.00 0.00 N ATOM 1316 CA THR A 91 7.060 -8.831 7.605 1.00 0.00 C ATOM 1317 C THR A 91 7.572 -9.963 6.718 1.00 0.00 C ATOM 1318 O THR A 91 6.951 -10.291 5.726 1.00 0.00 O ATOM 1319 CB THR A 91 6.119 -9.401 8.665 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.933 -9.868 8.041 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.770 -8.317 9.677 1.00 0.00 C ATOM 0 H THR A 91 5.876 -8.287 5.921 1.00 0.00 H new ATOM 0 HA THR A 91 7.887 -8.330 8.107 1.00 0.00 H new ATOM 0 HB THR A 91 6.610 -10.228 9.178 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.329 -10.236 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.099 -8.726 10.432 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.681 -7.960 10.157 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.280 -7.488 9.167 1.00 0.00 H new ATOM 1329 N PRO A 92 8.692 -10.555 7.043 1.00 0.00 N ATOM 1330 CA PRO A 92 9.255 -11.651 6.209 1.00 0.00 C ATOM 1331 C PRO A 92 8.252 -12.796 6.043 1.00 0.00 C ATOM 1332 O PRO A 92 8.103 -13.349 4.970 1.00 0.00 O ATOM 1333 CB PRO A 92 10.514 -12.105 6.984 1.00 0.00 C ATOM 1334 CG PRO A 92 10.380 -11.531 8.358 1.00 0.00 C ATOM 1335 CD PRO A 92 9.537 -10.268 8.216 1.00 0.00 C ATOM 0 HA PRO A 92 9.488 -11.327 5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.579 -13.192 7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.422 -11.747 6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.903 -12.243 9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.358 -11.300 8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.938 -10.082 9.107 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.157 -9.386 8.059 1.00 0.00 H new ATOM 1343 N GLU A 93 7.568 -13.158 7.090 1.00 0.00 N ATOM 1344 CA GLU A 93 6.589 -14.273 6.978 1.00 0.00 C ATOM 1345 C GLU A 93 5.572 -13.964 5.869 1.00 0.00 C ATOM 1346 O GLU A 93 5.160 -14.842 5.144 1.00 0.00 O ATOM 1347 CB GLU A 93 5.869 -14.455 8.319 1.00 0.00 C ATOM 1348 CG GLU A 93 5.510 -13.088 8.898 1.00 0.00 C ATOM 1349 CD GLU A 93 4.501 -13.266 10.034 1.00 0.00 C ATOM 1350 OE1 GLU A 93 4.640 -14.222 10.778 1.00 0.00 O ATOM 1351 OE2 GLU A 93 3.607 -12.443 10.137 1.00 0.00 O ATOM 0 H GLU A 93 7.643 -12.733 8.014 1.00 0.00 H new ATOM 0 HA GLU A 93 7.114 -15.194 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.967 -15.051 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.507 -15.000 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.407 -12.591 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.090 -12.450 8.120 1.00 0.00 H new ATOM 1358 N LEU A 94 5.144 -12.729 5.751 1.00 0.00 N ATOM 1359 CA LEU A 94 4.133 -12.397 4.695 1.00 0.00 C ATOM 1360 C LEU A 94 4.828 -12.073 3.361 1.00 0.00 C ATOM 1361 O LEU A 94 4.284 -11.399 2.513 1.00 0.00 O ATOM 1362 CB LEU A 94 3.258 -11.198 5.145 1.00 0.00 C ATOM 1363 CG LEU A 94 1.967 -11.708 5.822 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.220 -10.541 6.497 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.039 -12.383 4.773 1.00 0.00 C ATOM 0 H LEU A 94 5.445 -11.946 6.331 1.00 0.00 H new ATOM 0 HA LEU A 94 3.492 -13.266 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.817 -10.569 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.006 -10.578 4.284 1.00 0.00 H new ATOM 0 HG LEU A 94 2.243 -12.441 6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.312 -10.915 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.862 -10.086 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.957 -9.795 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.133 -12.738 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.774 -11.659 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.558 -13.226 4.317 1.00 0.00 H new ATOM 1377 N ASP A 95 6.026 -12.532 3.173 1.00 0.00 N ATOM 1378 CA ASP A 95 6.732 -12.241 1.893 1.00 0.00 C ATOM 1379 C ASP A 95 5.873 -12.706 0.707 1.00 0.00 C ATOM 1380 O ASP A 95 5.293 -13.772 0.726 1.00 0.00 O ATOM 1381 CB ASP A 95 8.071 -12.984 1.888 1.00 0.00 C ATOM 1382 CG ASP A 95 7.820 -14.489 2.005 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.700 -14.860 2.317 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.752 -15.245 1.788 1.00 0.00 O ATOM 0 H ASP A 95 6.550 -13.094 3.844 1.00 0.00 H new ATOM 0 HA ASP A 95 6.905 -11.169 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.617 -12.766 0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.692 -12.643 2.716 1.00 0.00 H new ATOM 1389 N GLY A 96 5.815 -11.914 -0.333 1.00 0.00 N ATOM 1390 CA GLY A 96 5.028 -12.292 -1.568 1.00 0.00 C ATOM 1391 C GLY A 96 3.808 -11.373 -1.718 1.00 0.00 C ATOM 1392 O GLY A 96 3.008 -11.528 -2.617 1.00 0.00 O ATOM 0 H GLY A 96 6.282 -11.009 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.662 -12.214 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.704 -13.331 -1.499 1.00 0.00 H new ATOM 1396 N ILE A 97 3.637 -10.463 -0.812 1.00 0.00 N ATOM 1397 CA ILE A 97 2.437 -9.550 -0.826 1.00 0.00 C ATOM 1398 C ILE A 97 2.286 -8.835 -2.173 1.00 0.00 C ATOM 1399 O ILE A 97 3.211 -8.225 -2.674 1.00 0.00 O ATOM 1400 CB ILE A 97 2.604 -8.523 0.320 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.802 -7.213 0.065 1.00 0.00 C ATOM 1402 CG2 ILE A 97 4.100 -8.171 0.470 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.299 -7.478 -0.077 1.00 0.00 C ATOM 0 H ILE A 97 4.283 -10.298 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 97 1.532 -10.140 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 97 2.214 -8.980 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.971 -6.518 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.172 -6.732 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.225 -7.448 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.665 -9.074 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.468 -7.743 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.221 -6.537 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.126 -8.151 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.078 -7.935 0.838 1.00 0.00 H new ATOM 1415 N VAL A 98 1.107 -8.901 -2.759 1.00 0.00 N ATOM 1416 CA VAL A 98 0.864 -8.223 -4.070 1.00 0.00 C ATOM 1417 C VAL A 98 0.008 -6.968 -3.856 1.00 0.00 C ATOM 1418 O VAL A 98 -1.113 -7.045 -3.392 1.00 0.00 O ATOM 1419 CB VAL A 98 0.118 -9.180 -5.000 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.018 -8.569 -6.394 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.870 -10.511 -5.076 1.00 0.00 C ATOM 0 H VAL A 98 0.302 -9.399 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 98 1.820 -7.940 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.885 -9.352 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.514 -9.254 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.523 -7.624 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.019 -8.392 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.337 -11.193 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.875 -10.340 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.934 -10.950 -4.080 1.00 0.00 H new ATOM 1431 N VAL A 99 0.532 -5.811 -4.179 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.227 -4.533 -3.994 1.00 0.00 C ATOM 1433 C VAL A 99 -0.650 -3.991 -5.363 1.00 0.00 C ATOM 1434 O VAL A 99 0.151 -3.863 -6.267 1.00 0.00 O ATOM 1435 CB VAL A 99 0.696 -3.499 -3.337 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.139 -2.414 -2.656 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.590 -4.181 -2.305 1.00 0.00 C ATOM 0 H VAL A 99 1.467 -5.696 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.104 -4.717 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 99 1.319 -3.043 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.523 -1.683 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.765 -1.917 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.772 -2.867 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.243 -3.440 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.971 -4.648 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.196 -4.943 -2.795 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.901 -3.685 -5.515 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.414 -3.161 -6.824 1.00 0.00 C ATOM 1449 C ASP A 100 -2.632 -1.643 -6.714 1.00 0.00 C ATOM 1450 O ASP A 100 -3.359 -1.165 -5.866 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.732 -3.891 -7.149 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.470 -5.067 -8.101 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.958 -4.827 -9.182 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.790 -6.185 -7.736 1.00 0.00 O ATOM 0 H ASP A 100 -2.607 -3.773 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.698 -3.341 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.191 -4.254 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.438 -3.196 -7.604 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.994 -0.889 -7.577 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.131 0.603 -7.568 1.00 0.00 C ATOM 1461 C VAL A 101 -2.966 1.046 -8.792 1.00 0.00 C ATOM 1462 O VAL A 101 -2.692 0.631 -9.900 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.735 1.223 -7.655 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.834 2.747 -7.557 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.127 0.697 -6.504 1.00 0.00 C ATOM 0 H VAL A 101 -1.373 -1.251 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.627 0.928 -6.654 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.282 0.953 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.164 3.181 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.446 3.125 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.290 3.022 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.122 1.137 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.332 0.966 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.206 -0.388 -6.575 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.985 1.866 -8.607 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.860 2.336 -9.729 1.00 0.00 C ATOM 1477 C PRO A 102 -4.281 3.510 -10.534 1.00 0.00 C ATOM 1478 O PRO A 102 -3.154 3.928 -10.350 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.115 2.811 -8.997 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.588 3.362 -7.728 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.437 2.440 -7.324 1.00 0.00 C ATOM 0 HA PRO A 102 -5.006 1.543 -10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.652 3.567 -9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.811 1.991 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.241 4.387 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.361 3.384 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.638 2.990 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.768 1.665 -6.633 1.00 0.00 H new ATOM 1489 N ASP A 103 -5.091 4.048 -11.412 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.675 5.213 -12.238 1.00 0.00 C ATOM 1491 C ASP A 103 -4.969 6.493 -11.449 1.00 0.00 C ATOM 1492 O ASP A 103 -4.450 7.553 -11.742 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.483 5.228 -13.540 1.00 0.00 C ATOM 1494 CG ASP A 103 -5.417 3.849 -14.194 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -6.193 2.993 -13.806 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -4.592 3.676 -15.073 1.00 0.00 O ATOM 0 H ASP A 103 -6.040 3.719 -11.591 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.613 5.147 -12.473 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.519 5.496 -13.335 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.087 5.984 -14.218 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.801 6.387 -10.447 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.156 7.564 -9.597 1.00 0.00 C ATOM 1503 C ARG A 104 -5.855 7.177 -8.161 1.00 0.00 C ATOM 1504 O ARG A 104 -6.493 6.299 -7.640 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.667 7.879 -9.707 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.181 7.788 -11.180 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.661 9.159 -11.669 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.469 10.001 -11.972 1.00 0.00 N ATOM 1509 CZ ARG A 104 -7.612 11.256 -12.316 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -8.804 11.787 -12.365 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -6.558 11.979 -12.594 1.00 0.00 N ATOM 0 H ARG A 104 -6.259 5.517 -10.176 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.592 8.440 -9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.228 7.183 -9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.858 8.879 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.383 7.424 -11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.997 7.067 -11.243 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.281 9.047 -12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.278 9.637 -10.908 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.535 9.596 -11.911 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.623 11.224 -12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.916 12.765 -12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.627 11.565 -12.543 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.667 12.957 -12.862 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.911 7.809 -7.518 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.594 7.448 -6.097 1.00 0.00 C ATOM 1527 C GLN A 105 -4.968 8.634 -5.208 1.00 0.00 C ATOM 1528 O GLN A 105 -4.967 8.546 -3.996 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.090 7.169 -5.978 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.282 8.395 -6.446 1.00 0.00 C ATOM 1531 CD GLN A 105 -2.175 9.416 -5.309 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -2.965 10.332 -5.226 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -1.217 9.298 -4.435 1.00 0.00 N ATOM 0 H GLN A 105 -4.343 8.560 -7.911 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.150 6.562 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.838 6.931 -4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.826 6.299 -6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.286 8.085 -6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.764 8.850 -7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.553 8.527 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.130 9.977 -3.679 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.290 9.741 -5.814 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.674 10.953 -5.034 1.00 0.00 C ATOM 1544 C TRP A 106 -7.034 10.712 -4.373 1.00 0.00 C ATOM 1545 O TRP A 106 -7.625 11.671 -3.905 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.755 12.160 -5.974 1.00 0.00 C ATOM 1547 CG TRP A 106 -5.866 13.420 -5.169 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.027 14.032 -4.838 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -4.797 14.234 -4.607 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -6.738 15.162 -4.094 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -5.379 15.331 -3.927 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -3.395 14.126 -4.610 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -4.597 16.287 -3.274 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -2.606 15.087 -3.959 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -3.205 16.165 -3.289 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.462 9.570 -4.351 1.00 0.00 O ATOM 0 H TRP A 106 -5.304 9.861 -6.827 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.928 11.152 -4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -4.870 12.199 -6.609 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.617 12.062 -6.634 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.016 13.694 -5.110 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.444 15.793 -3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -2.922 13.298 -5.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.065 17.114 -2.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -1.530 14.996 -3.974 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -2.592 16.898 -2.786 1.00 0.00 H new