USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 91 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.21) USER MOD Set 1.2: A 104 THR OG1 : rot -120:sc= 0 USER MOD Single : A 2 MET CE :methyl -171:sc= -4.88! (180deg=-5.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 175:sc= 0.0828 USER MOD Single : A 12 LYS NZ :NH3+ -130:sc= -0.186 (180deg=-0.976) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -14.6! C(o=-15!,f=-20!) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.196 (180deg=-0.848) USER MOD Single : A 28 LYS NZ :NH3+ 134:sc= -1.06 (180deg=-1.21) USER MOD Single : A 31 GLN : amide:sc= -0.873 K(o=-0.87,f=-1.6) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.315) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.389) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= 0.892 (180deg=-0.249!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.0806 (180deg=-0.502) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= 0.0642 (180deg=-1.01) USER MOD Single : A 55 SER OG : rot -49:sc= 0.539 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 10:sc= 0.71 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 50:sc= -0.0406! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 58:sc= 0.746 USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.12) USER MOD Single : A 84 THR OG1 : rot 64:sc= 1.09 USER MOD Single : A 86 MET CE :methyl 168:sc= -5.81! (180deg=-6.48!) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.508 (180deg=-0.925) USER MOD Single : A 103 SER OG : rot 180:sc= -2.2! USER MOD Single : A 109 SER OG : rot 130:sc= -0.776 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 5.027 -7.943 6.493 1.00 0.00 N ATOM 15 CA MET A 2 4.979 -8.620 5.203 1.00 0.00 C ATOM 16 C MET A 2 6.325 -8.527 4.489 1.00 0.00 C ATOM 17 O MET A 2 6.411 -8.031 3.366 1.00 0.00 O ATOM 18 CB MET A 2 3.875 -8.022 4.330 1.00 0.00 C ATOM 19 CG MET A 2 3.704 -8.728 2.995 1.00 0.00 C ATOM 20 SD MET A 2 2.460 -10.039 3.036 1.00 0.00 S ATOM 21 CE MET A 2 2.918 -10.933 4.517 1.00 0.00 C ATOM 0 HA MET A 2 4.758 -9.673 5.379 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.932 -8.060 4.875 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.096 -6.970 4.149 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.426 -7.996 2.237 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.661 -9.153 2.691 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.340 -11.855 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.981 -11.173 4.483 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.713 -10.317 5.392 1.00 0.00 H new ATOM 31 N THR A 3 7.372 -9.008 5.151 1.00 0.00 N ATOM 32 CA THR A 3 8.714 -8.986 4.583 1.00 0.00 C ATOM 33 C THR A 3 9.062 -10.321 3.934 1.00 0.00 C ATOM 34 O THR A 3 9.862 -10.377 2.999 1.00 0.00 O ATOM 35 CB THR A 3 9.774 -8.656 5.651 1.00 0.00 C ATOM 36 OG1 THR A 3 9.618 -9.522 6.782 1.00 0.00 O ATOM 37 CG2 THR A 3 9.663 -7.206 6.095 1.00 0.00 C ATOM 0 H THR A 3 7.316 -9.418 6.083 1.00 0.00 H new ATOM 0 HA THR A 3 8.719 -8.204 3.823 1.00 0.00 H new ATOM 0 HB THR A 3 10.760 -8.809 5.211 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.297 -9.306 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.422 -6.997 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.814 -6.550 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.674 -7.029 6.517 1.00 0.00 H new ATOM 45 N ASP A 4 8.458 -11.394 4.433 1.00 0.00 N ATOM 46 CA ASP A 4 8.707 -12.729 3.899 1.00 0.00 C ATOM 47 C ASP A 4 8.248 -12.831 2.448 1.00 0.00 C ATOM 48 O ASP A 4 8.780 -13.625 1.673 1.00 0.00 O ATOM 49 CB ASP A 4 7.993 -13.782 4.748 1.00 0.00 C ATOM 50 CG ASP A 4 8.477 -13.792 6.184 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.930 -13.019 7.001 1.00 0.00 O ATOM 52 OD2 ASP A 4 9.403 -14.571 6.494 1.00 0.00 O ATOM 0 H ASP A 4 7.793 -11.366 5.206 1.00 0.00 H new ATOM 0 HA ASP A 4 9.781 -12.912 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.920 -13.592 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.150 -14.767 4.308 1.00 0.00 H new ATOM 57 N LEU A 5 7.256 -12.023 2.088 1.00 0.00 N ATOM 58 CA LEU A 5 6.724 -12.022 0.730 1.00 0.00 C ATOM 59 C LEU A 5 7.245 -10.825 -0.059 1.00 0.00 C ATOM 60 O LEU A 5 7.672 -10.962 -1.205 1.00 0.00 O ATOM 61 CB LEU A 5 5.197 -12.004 0.764 1.00 0.00 C ATOM 62 CG LEU A 5 4.554 -13.323 1.197 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.503 -13.075 2.263 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.946 -14.039 0.001 1.00 0.00 C ATOM 0 H LEU A 5 6.804 -11.360 2.718 1.00 0.00 H new ATOM 0 HA LEU A 5 7.059 -12.932 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.871 -11.216 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.828 -11.743 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 5 5.329 -13.962 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.055 -14.023 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.968 -12.606 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.730 -12.417 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.493 -14.975 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.183 -13.406 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.725 -14.250 -0.732 1.00 0.00 H new ATOM 76 N LEU A 6 7.202 -9.653 0.560 1.00 0.00 N ATOM 77 CA LEU A 6 7.678 -8.433 -0.079 1.00 0.00 C ATOM 78 C LEU A 6 9.173 -8.268 0.148 1.00 0.00 C ATOM 79 O LEU A 6 9.685 -8.595 1.219 1.00 0.00 O ATOM 80 CB LEU A 6 6.937 -7.221 0.482 1.00 0.00 C ATOM 81 CG LEU A 6 5.414 -7.298 0.404 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.787 -6.227 1.281 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.948 -7.156 -1.037 1.00 0.00 C ATOM 0 H LEU A 6 6.842 -9.521 1.505 1.00 0.00 H new ATOM 0 HA LEU A 6 7.486 -8.506 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.225 -7.089 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.268 -6.332 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 6 5.094 -8.273 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.701 -6.293 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.098 -6.375 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.111 -5.243 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.860 -7.213 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.275 -6.194 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.375 -7.959 -1.638 1.00 0.00 H new ATOM 95 N SER A 7 9.877 -7.760 -0.857 1.00 0.00 N ATOM 96 CA SER A 7 11.314 -7.561 -0.736 1.00 0.00 C ATOM 97 C SER A 7 11.622 -6.727 0.506 1.00 0.00 C ATOM 98 O SER A 7 11.311 -5.538 0.557 1.00 0.00 O ATOM 99 CB SER A 7 11.870 -6.869 -1.979 1.00 0.00 C ATOM 100 OG SER A 7 11.045 -7.103 -3.107 1.00 0.00 O ATOM 0 H SER A 7 9.481 -7.482 -1.755 1.00 0.00 H new ATOM 0 HA SER A 7 11.791 -8.537 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.948 -5.797 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.878 -7.232 -2.181 1.00 0.00 H new ATOM 0 HG SER A 7 11.377 -6.583 -3.869 1.00 0.00 H new ATOM 106 N ALA A 8 12.233 -7.359 1.502 1.00 0.00 N ATOM 107 CA ALA A 8 12.565 -6.680 2.750 1.00 0.00 C ATOM 108 C ALA A 8 13.523 -5.516 2.522 1.00 0.00 C ATOM 109 O ALA A 8 13.422 -4.481 3.180 1.00 0.00 O ATOM 110 CB ALA A 8 13.157 -7.669 3.743 1.00 0.00 C ATOM 0 H ALA A 8 12.509 -8.341 1.470 1.00 0.00 H new ATOM 0 HA ALA A 8 11.643 -6.269 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.401 -7.151 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.433 -8.457 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.062 -8.108 3.324 1.00 0.00 H new ATOM 116 N GLU A 9 14.451 -5.687 1.586 1.00 0.00 N ATOM 117 CA GLU A 9 15.429 -4.649 1.283 1.00 0.00 C ATOM 118 C GLU A 9 14.775 -3.458 0.587 1.00 0.00 C ATOM 119 O GLU A 9 14.994 -2.308 0.967 1.00 0.00 O ATOM 120 CB GLU A 9 16.551 -5.215 0.408 1.00 0.00 C ATOM 121 CG GLU A 9 16.075 -5.708 -0.950 1.00 0.00 C ATOM 122 CD GLU A 9 17.175 -6.394 -1.738 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.916 -5.692 -2.459 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.293 -7.633 -1.636 1.00 0.00 O ATOM 0 H GLU A 9 14.546 -6.534 1.025 1.00 0.00 H new ATOM 0 HA GLU A 9 15.851 -4.302 2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.309 -4.445 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.032 -6.039 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.246 -6.402 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.692 -4.865 -1.525 1.00 0.00 H new ATOM 131 N ASP A 10 13.975 -3.739 -0.434 1.00 0.00 N ATOM 132 CA ASP A 10 13.293 -2.691 -1.186 1.00 0.00 C ATOM 133 C ASP A 10 12.481 -1.795 -0.268 1.00 0.00 C ATOM 134 O ASP A 10 12.609 -0.571 -0.288 1.00 0.00 O ATOM 135 CB ASP A 10 12.353 -3.326 -2.196 1.00 0.00 C ATOM 136 CG ASP A 10 13.082 -4.202 -3.196 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.767 -5.154 -2.766 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.971 -3.934 -4.412 1.00 0.00 O ATOM 0 H ASP A 10 13.782 -4.685 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 10 14.050 -2.089 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.609 -3.923 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.814 -2.543 -2.729 1.00 0.00 H new ATOM 143 N ILE A 11 11.641 -2.428 0.532 1.00 0.00 N ATOM 144 CA ILE A 11 10.775 -1.725 1.461 1.00 0.00 C ATOM 145 C ILE A 11 11.578 -0.836 2.397 1.00 0.00 C ATOM 146 O ILE A 11 11.315 0.360 2.500 1.00 0.00 O ATOM 147 CB ILE A 11 9.964 -2.724 2.296 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.201 -3.701 1.402 1.00 0.00 C ATOM 149 CG2 ILE A 11 9.001 -1.985 3.207 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.062 -5.081 2.006 1.00 0.00 C ATOM 0 H ILE A 11 11.540 -3.443 0.556 1.00 0.00 H new ATOM 0 HA ILE A 11 10.101 -1.102 0.873 1.00 0.00 H new ATOM 0 HB ILE A 11 10.661 -3.299 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.208 -3.299 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.713 -3.781 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.431 -2.705 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.562 -1.333 3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.318 -1.386 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.511 -5.724 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.052 -5.502 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.523 -5.012 2.951 1.00 0.00 H new ATOM 162 N LYS A 12 12.562 -1.417 3.071 1.00 0.00 N ATOM 163 CA LYS A 12 13.386 -0.652 3.995 1.00 0.00 C ATOM 164 C LYS A 12 14.158 0.432 3.251 1.00 0.00 C ATOM 165 O LYS A 12 14.410 1.509 3.790 1.00 0.00 O ATOM 166 CB LYS A 12 14.360 -1.569 4.738 1.00 0.00 C ATOM 167 CG LYS A 12 15.360 -2.257 3.826 1.00 0.00 C ATOM 168 CD LYS A 12 16.259 -3.214 4.594 1.00 0.00 C ATOM 169 CE LYS A 12 16.987 -2.512 5.730 1.00 0.00 C ATOM 170 NZ LYS A 12 16.236 -2.600 7.014 1.00 0.00 N ATOM 0 H LYS A 12 12.807 -2.404 2.996 1.00 0.00 H new ATOM 0 HA LYS A 12 12.727 -0.179 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.901 -0.984 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.793 -2.326 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.827 -2.804 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.972 -1.507 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.661 -4.032 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.987 -3.655 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.974 -2.956 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.139 -1.464 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.157 -1.653 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.285 -2.980 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.742 -3.229 7.670 1.00 0.00 H new ATOM 184 N LYS A 13 14.531 0.140 2.007 1.00 0.00 N ATOM 185 CA LYS A 13 15.271 1.097 1.193 1.00 0.00 C ATOM 186 C LYS A 13 14.407 2.299 0.852 1.00 0.00 C ATOM 187 O LYS A 13 14.775 3.445 1.105 1.00 0.00 O ATOM 188 CB LYS A 13 15.697 0.442 -0.113 1.00 0.00 C ATOM 189 CG LYS A 13 17.010 -0.312 -0.019 1.00 0.00 C ATOM 190 CD LYS A 13 17.080 -1.477 -1.004 1.00 0.00 C ATOM 191 CE LYS A 13 16.541 -1.106 -2.381 1.00 0.00 C ATOM 192 NZ LYS A 13 16.793 -2.177 -3.383 1.00 0.00 N ATOM 0 H LYS A 13 14.334 -0.747 1.544 1.00 0.00 H new ATOM 0 HA LYS A 13 16.141 1.420 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.916 -0.246 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.783 1.209 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.835 0.374 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.139 -0.689 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.114 -1.808 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.511 -2.318 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.470 -0.918 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.007 -0.179 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.411 -1.886 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.817 -2.340 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.327 -3.055 -3.077 1.00 0.00 H new ATOM 206 N ALA A 14 13.246 2.011 0.287 1.00 0.00 N ATOM 207 CA ALA A 14 12.302 3.042 -0.114 1.00 0.00 C ATOM 208 C ALA A 14 11.649 3.714 1.088 1.00 0.00 C ATOM 209 O ALA A 14 11.541 4.939 1.144 1.00 0.00 O ATOM 210 CB ALA A 14 11.249 2.446 -1.031 1.00 0.00 C ATOM 0 H ALA A 14 12.932 1.060 0.094 1.00 0.00 H new ATOM 0 HA ALA A 14 12.854 3.813 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.544 3.222 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.730 2.033 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.716 1.654 -0.506 1.00 0.00 H new ATOM 216 N ILE A 15 11.215 2.904 2.048 1.00 0.00 N ATOM 217 CA ILE A 15 10.555 3.422 3.237 1.00 0.00 C ATOM 218 C ILE A 15 11.440 4.418 3.990 1.00 0.00 C ATOM 219 O ILE A 15 10.996 5.508 4.350 1.00 0.00 O ATOM 220 CB ILE A 15 10.092 2.282 4.153 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.910 1.636 3.460 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.701 2.778 5.545 1.00 0.00 C ATOM 223 CD1 ILE A 15 8.121 0.682 4.315 1.00 0.00 C ATOM 0 H ILE A 15 11.309 1.889 2.025 1.00 0.00 H new ATOM 0 HA ILE A 15 9.670 3.966 2.907 1.00 0.00 H new ATOM 0 HB ILE A 15 10.904 1.573 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.242 2.421 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.270 1.101 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.381 1.934 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.559 3.260 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.884 3.495 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.296 0.270 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.769 -0.128 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.725 1.212 5.181 1.00 0.00 H new ATOM 235 N GLY A 16 12.692 4.038 4.220 1.00 0.00 N ATOM 236 CA GLY A 16 13.611 4.910 4.931 1.00 0.00 C ATOM 237 C GLY A 16 14.200 5.990 4.044 1.00 0.00 C ATOM 238 O GLY A 16 14.698 7.002 4.535 1.00 0.00 O ATOM 0 H GLY A 16 13.087 3.144 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.089 5.377 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.419 4.312 5.353 1.00 0.00 H new ATOM 242 N ALA A 17 14.146 5.774 2.734 1.00 0.00 N ATOM 243 CA ALA A 17 14.684 6.735 1.777 1.00 0.00 C ATOM 244 C ALA A 17 13.608 7.682 1.247 1.00 0.00 C ATOM 245 O ALA A 17 13.914 8.610 0.498 1.00 0.00 O ATOM 246 CB ALA A 17 15.333 6.002 0.615 1.00 0.00 C ATOM 0 H ALA A 17 13.735 4.942 2.310 1.00 0.00 H new ATOM 0 HA ALA A 17 15.427 7.335 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.732 6.726 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.143 5.375 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.590 5.378 0.118 1.00 0.00 H new ATOM 252 N PHE A 18 12.355 7.456 1.628 1.00 0.00 N ATOM 253 CA PHE A 18 11.263 8.293 1.147 1.00 0.00 C ATOM 254 C PHE A 18 10.530 9.013 2.272 1.00 0.00 C ATOM 255 O PHE A 18 9.635 8.448 2.901 1.00 0.00 O ATOM 256 CB PHE A 18 10.257 7.450 0.370 1.00 0.00 C ATOM 257 CG PHE A 18 10.726 6.975 -0.977 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.817 7.550 -1.618 1.00 0.00 C ATOM 259 CD2 PHE A 18 10.049 5.952 -1.610 1.00 0.00 C ATOM 260 CE1 PHE A 18 12.218 7.102 -2.863 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.441 5.504 -2.851 1.00 0.00 C ATOM 262 CZ PHE A 18 11.528 6.077 -3.481 1.00 0.00 C ATOM 0 H PHE A 18 12.073 6.708 2.262 1.00 0.00 H new ATOM 0 HA PHE A 18 11.714 9.047 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.993 6.581 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.346 8.033 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.356 8.354 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.199 5.496 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.069 7.553 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.898 4.704 -3.332 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.838 5.725 -4.454 1.00 0.00 H new ATOM 272 N THR A 19 10.911 10.259 2.523 1.00 0.00 N ATOM 273 CA THR A 19 10.245 11.059 3.539 1.00 0.00 C ATOM 274 C THR A 19 9.107 11.849 2.899 1.00 0.00 C ATOM 275 O THR A 19 7.988 11.872 3.407 1.00 0.00 O ATOM 276 CB THR A 19 11.219 12.037 4.224 1.00 0.00 C ATOM 277 OG1 THR A 19 11.797 12.917 3.252 1.00 0.00 O ATOM 278 CG2 THR A 19 12.321 11.282 4.950 1.00 0.00 C ATOM 0 H THR A 19 11.673 10.734 2.040 1.00 0.00 H new ATOM 0 HA THR A 19 9.857 10.380 4.298 1.00 0.00 H new ATOM 0 HB THR A 19 10.658 12.622 4.953 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.413 13.536 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.996 11.993 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.880 10.636 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.878 10.675 4.236 1.00 0.00 H new ATOM 286 N ALA A 20 9.431 12.507 1.788 1.00 0.00 N ATOM 287 CA ALA A 20 8.480 13.299 1.020 1.00 0.00 C ATOM 288 C ALA A 20 7.968 12.522 -0.196 1.00 0.00 C ATOM 289 O ALA A 20 6.775 12.522 -0.497 1.00 0.00 O ATOM 290 CB ALA A 20 9.127 14.602 0.573 1.00 0.00 C ATOM 0 H ALA A 20 10.372 12.504 1.394 1.00 0.00 H new ATOM 0 HA ALA A 20 7.628 13.522 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.408 15.187 -0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.442 15.171 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.995 14.383 -0.049 1.00 0.00 H new ATOM 296 N ALA A 21 8.900 11.858 -0.890 1.00 0.00 N ATOM 297 CA ALA A 21 8.587 11.090 -2.101 1.00 0.00 C ATOM 298 C ALA A 21 7.269 10.337 -1.993 1.00 0.00 C ATOM 299 O ALA A 21 6.305 10.650 -2.692 1.00 0.00 O ATOM 300 CB ALA A 21 9.718 10.119 -2.406 1.00 0.00 C ATOM 0 H ALA A 21 9.886 11.838 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 21 8.481 11.805 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.479 9.553 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.643 10.675 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.844 9.433 -1.568 1.00 0.00 H new ATOM 306 N ASP A 22 7.231 9.347 -1.119 1.00 0.00 N ATOM 307 CA ASP A 22 6.023 8.559 -0.915 1.00 0.00 C ATOM 308 C ASP A 22 4.981 9.387 -0.174 1.00 0.00 C ATOM 309 O ASP A 22 3.784 9.104 -0.234 1.00 0.00 O ATOM 310 CB ASP A 22 6.333 7.280 -0.134 1.00 0.00 C ATOM 311 CG ASP A 22 6.724 7.559 1.304 1.00 0.00 C ATOM 312 OD1 ASP A 22 5.861 8.032 2.072 1.00 0.00 O ATOM 313 OD2 ASP A 22 7.892 7.301 1.663 1.00 0.00 O ATOM 0 H ASP A 22 8.021 9.068 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 22 5.627 8.276 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.460 6.628 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.142 6.742 -0.629 1.00 0.00 H new ATOM 318 N SER A 23 5.454 10.414 0.526 1.00 0.00 N ATOM 319 CA SER A 23 4.586 11.299 1.276 1.00 0.00 C ATOM 320 C SER A 23 3.440 11.803 0.404 1.00 0.00 C ATOM 321 O SER A 23 2.286 11.828 0.831 1.00 0.00 O ATOM 322 CB SER A 23 5.405 12.478 1.798 1.00 0.00 C ATOM 323 OG SER A 23 4.866 12.981 3.008 1.00 0.00 O ATOM 0 H SER A 23 6.444 10.650 0.586 1.00 0.00 H new ATOM 0 HA SER A 23 4.156 10.749 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.437 12.165 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.426 13.270 1.049 1.00 0.00 H new ATOM 0 HG SER A 23 5.410 13.734 3.321 1.00 0.00 H new ATOM 329 N PHE A 24 3.768 12.211 -0.820 1.00 0.00 N ATOM 330 CA PHE A 24 2.763 12.721 -1.746 1.00 0.00 C ATOM 331 C PHE A 24 2.263 11.638 -2.706 1.00 0.00 C ATOM 332 O PHE A 24 1.104 11.662 -3.119 1.00 0.00 O ATOM 333 CB PHE A 24 3.315 13.915 -2.529 1.00 0.00 C ATOM 334 CG PHE A 24 4.666 13.676 -3.142 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.820 12.782 -4.187 1.00 0.00 C ATOM 336 CD2 PHE A 24 5.781 14.355 -2.677 1.00 0.00 C ATOM 337 CE1 PHE A 24 6.059 12.568 -4.759 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.024 14.143 -3.244 1.00 0.00 C ATOM 339 CZ PHE A 24 7.162 13.250 -4.288 1.00 0.00 C ATOM 0 H PHE A 24 4.718 12.198 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 24 1.910 13.048 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.610 14.175 -3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.378 14.775 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.961 12.245 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.678 15.057 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.164 11.867 -5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.886 14.675 -2.871 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.131 13.086 -4.735 1.00 0.00 H new ATOM 349 N ASP A 25 3.132 10.692 -3.063 1.00 0.00 N ATOM 350 CA ASP A 25 2.742 9.621 -3.982 1.00 0.00 C ATOM 351 C ASP A 25 3.473 8.314 -3.683 1.00 0.00 C ATOM 352 O ASP A 25 4.598 8.102 -4.135 1.00 0.00 O ATOM 353 CB ASP A 25 3.010 10.032 -5.432 1.00 0.00 C ATOM 354 CG ASP A 25 2.195 11.241 -5.854 1.00 0.00 C ATOM 355 OD1 ASP A 25 0.965 11.232 -5.640 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.788 12.195 -6.400 1.00 0.00 O ATOM 0 H ASP A 25 4.097 10.644 -2.736 1.00 0.00 H new ATOM 0 HA ASP A 25 1.675 9.454 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.071 10.252 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.781 9.195 -6.092 1.00 0.00 H new ATOM 361 N HIS A 26 2.824 7.441 -2.917 1.00 0.00 N ATOM 362 CA HIS A 26 3.400 6.143 -2.575 1.00 0.00 C ATOM 363 C HIS A 26 3.421 5.233 -3.805 1.00 0.00 C ATOM 364 O HIS A 26 4.201 4.289 -3.869 1.00 0.00 O ATOM 365 CB HIS A 26 2.620 5.524 -1.396 1.00 0.00 C ATOM 366 CG HIS A 26 2.644 4.021 -1.279 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.669 3.225 -1.741 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.754 3.175 -0.703 1.00 0.00 C ATOM 369 CE1 HIS A 26 3.413 1.961 -1.457 1.00 0.00 C ATOM 370 NE2 HIS A 26 2.256 1.905 -0.827 1.00 0.00 N ATOM 0 H HIS A 26 1.899 7.609 -2.521 1.00 0.00 H new ATOM 0 HA HIS A 26 4.434 6.268 -2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.015 5.943 -0.470 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.580 5.842 -1.472 1.00 0.00 H new ATOM 0 HD1 HIS A 26 4.500 3.561 -2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.822 3.451 -0.233 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.043 1.118 -1.699 1.00 0.00 H new ATOM 379 N LYS A 27 2.609 5.555 -4.815 1.00 0.00 N ATOM 380 CA LYS A 27 2.551 4.760 -6.029 1.00 0.00 C ATOM 381 C LYS A 27 3.955 4.419 -6.520 1.00 0.00 C ATOM 382 O LYS A 27 4.286 3.252 -6.730 1.00 0.00 O ATOM 383 CB LYS A 27 1.790 5.518 -7.112 1.00 0.00 C ATOM 384 CG LYS A 27 0.283 5.434 -6.979 1.00 0.00 C ATOM 385 CD LYS A 27 -0.288 4.498 -8.020 1.00 0.00 C ATOM 386 CE LYS A 27 -0.284 5.129 -9.404 1.00 0.00 C ATOM 387 NZ LYS A 27 -1.013 6.427 -9.430 1.00 0.00 N ATOM 0 H LYS A 27 1.985 6.362 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 27 2.028 3.830 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.089 6.566 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.081 5.127 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.019 5.083 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.154 6.426 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.293 3.576 -8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.308 4.227 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.745 5.285 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.742 4.442 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.566 6.497 -10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.653 6.482 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.330 7.210 -9.388 1.00 0.00 H new ATOM 401 N LYS A 28 4.783 5.441 -6.687 1.00 0.00 N ATOM 402 CA LYS A 28 6.155 5.232 -7.119 1.00 0.00 C ATOM 403 C LYS A 28 6.857 4.356 -6.096 1.00 0.00 C ATOM 404 O LYS A 28 7.593 3.431 -6.438 1.00 0.00 O ATOM 405 CB LYS A 28 6.877 6.573 -7.247 1.00 0.00 C ATOM 406 CG LYS A 28 8.302 6.464 -7.765 1.00 0.00 C ATOM 407 CD LYS A 28 8.339 5.971 -9.204 1.00 0.00 C ATOM 408 CE LYS A 28 8.566 4.470 -9.276 1.00 0.00 C ATOM 409 NZ LYS A 28 9.929 4.095 -8.810 1.00 0.00 N ATOM 0 H LYS A 28 4.530 6.417 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 28 6.165 4.744 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.307 7.218 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.893 7.060 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.789 7.437 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.869 5.782 -7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.401 6.222 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.133 6.486 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.820 3.960 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.426 4.130 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.864 3.283 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.517 3.839 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.360 4.900 -8.313 1.00 0.00 H new ATOM 423 N PHE A 29 6.611 4.669 -4.831 1.00 0.00 N ATOM 424 CA PHE A 29 7.168 3.910 -3.724 1.00 0.00 C ATOM 425 C PHE A 29 6.704 2.456 -3.812 1.00 0.00 C ATOM 426 O PHE A 29 7.390 1.546 -3.345 1.00 0.00 O ATOM 427 CB PHE A 29 6.775 4.578 -2.396 1.00 0.00 C ATOM 428 CG PHE A 29 6.864 3.702 -1.175 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.925 2.833 -0.981 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.868 3.757 -0.213 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.986 2.037 0.151 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.923 2.964 0.913 1.00 0.00 C ATOM 433 CZ PHE A 29 6.981 2.103 1.094 1.00 0.00 C ATOM 0 H PHE A 29 6.023 5.452 -4.546 1.00 0.00 H new ATOM 0 HA PHE A 29 8.257 3.903 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.414 5.448 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.753 4.945 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.712 2.776 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.036 4.432 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.819 1.365 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.137 3.018 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.025 1.479 1.974 1.00 0.00 H new ATOM 443 N PHE A 30 5.533 2.247 -4.419 1.00 0.00 N ATOM 444 CA PHE A 30 4.995 0.902 -4.613 1.00 0.00 C ATOM 445 C PHE A 30 5.923 0.099 -5.515 1.00 0.00 C ATOM 446 O PHE A 30 5.953 -1.131 -5.467 1.00 0.00 O ATOM 447 CB PHE A 30 3.603 0.965 -5.248 1.00 0.00 C ATOM 448 CG PHE A 30 2.583 0.120 -4.538 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.432 -1.222 -4.849 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.780 0.667 -3.550 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.502 -2.002 -4.188 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.848 -0.107 -2.887 1.00 0.00 C ATOM 453 CZ PHE A 30 0.711 -1.445 -3.206 1.00 0.00 C ATOM 0 H PHE A 30 4.941 2.993 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 30 4.919 0.418 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.263 2.001 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.671 0.643 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.049 -1.664 -5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.884 1.711 -3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.395 -3.047 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.227 0.332 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.015 -2.053 -2.687 1.00 0.00 H new ATOM 463 N GLN A 31 6.651 0.810 -6.366 1.00 0.00 N ATOM 464 CA GLN A 31 7.596 0.190 -7.276 1.00 0.00 C ATOM 465 C GLN A 31 8.947 -0.020 -6.595 1.00 0.00 C ATOM 466 O GLN A 31 9.544 -1.091 -6.699 1.00 0.00 O ATOM 467 CB GLN A 31 7.730 1.049 -8.531 1.00 0.00 C ATOM 468 CG GLN A 31 6.394 1.557 -9.053 1.00 0.00 C ATOM 469 CD GLN A 31 6.511 2.214 -10.415 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.374 1.856 -11.216 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.642 3.182 -10.683 1.00 0.00 N ATOM 0 H GLN A 31 6.602 1.826 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 31 7.226 -0.793 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.376 1.900 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.221 0.467 -9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.692 0.725 -9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.979 2.273 -8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.943 3.446 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.674 3.661 -11.583 1.00 0.00 H new ATOM 480 N MET A 32 9.420 1.006 -5.895 1.00 0.00 N ATOM 481 CA MET A 32 10.694 0.928 -5.186 1.00 0.00 C ATOM 482 C MET A 32 10.594 0.035 -3.952 1.00 0.00 C ATOM 483 O MET A 32 11.588 -0.536 -3.509 1.00 0.00 O ATOM 484 CB MET A 32 11.164 2.321 -4.779 1.00 0.00 C ATOM 485 CG MET A 32 11.775 3.102 -5.925 1.00 0.00 C ATOM 486 SD MET A 32 13.241 2.302 -6.605 1.00 0.00 S ATOM 487 CE MET A 32 13.732 3.491 -7.852 1.00 0.00 C ATOM 0 H MET A 32 8.941 1.902 -5.803 1.00 0.00 H new ATOM 0 HA MET A 32 11.422 0.487 -5.867 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.319 2.880 -4.377 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.897 2.231 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.033 3.223 -6.714 1.00 0.00 H new ATOM 0 HG3 MET A 32 12.038 4.102 -5.579 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.628 3.136 -8.361 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.927 3.612 -8.577 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.940 4.450 -7.378 1.00 0.00 H new ATOM 497 N VAL A 33 9.389 -0.073 -3.399 1.00 0.00 N ATOM 498 CA VAL A 33 9.159 -0.888 -2.208 1.00 0.00 C ATOM 499 C VAL A 33 9.335 -2.372 -2.496 1.00 0.00 C ATOM 500 O VAL A 33 9.610 -3.161 -1.598 1.00 0.00 O ATOM 501 CB VAL A 33 7.746 -0.662 -1.642 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.703 -1.167 -2.614 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.593 -1.347 -0.304 1.00 0.00 C ATOM 0 H VAL A 33 8.555 0.394 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 33 9.903 -0.576 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 33 7.600 0.409 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.709 -1.000 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.797 -0.632 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.851 -2.233 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.587 -1.175 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.758 -2.418 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.323 -0.943 0.397 1.00 0.00 H new ATOM 513 N GLY A 34 9.157 -2.743 -3.751 1.00 0.00 N ATOM 514 CA GLY A 34 9.293 -4.135 -4.138 1.00 0.00 C ATOM 515 C GLY A 34 7.986 -4.897 -4.029 1.00 0.00 C ATOM 516 O GLY A 34 7.981 -6.125 -3.937 1.00 0.00 O ATOM 0 H GLY A 34 8.920 -2.107 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.658 -4.190 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.043 -4.613 -3.507 1.00 0.00 H new ATOM 520 N LEU A 35 6.876 -4.166 -4.044 1.00 0.00 N ATOM 521 CA LEU A 35 5.553 -4.774 -3.954 1.00 0.00 C ATOM 522 C LEU A 35 5.213 -5.443 -5.275 1.00 0.00 C ATOM 523 O LEU A 35 4.590 -6.504 -5.311 1.00 0.00 O ATOM 524 CB LEU A 35 4.505 -3.715 -3.598 1.00 0.00 C ATOM 525 CG LEU A 35 4.135 -3.593 -2.113 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.994 -4.529 -1.774 1.00 0.00 C ATOM 527 CD2 LEU A 35 5.330 -3.812 -1.186 1.00 0.00 C ATOM 0 H LEU A 35 6.867 -3.149 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 35 5.554 -5.527 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.869 -2.746 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.596 -3.931 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 35 3.806 -2.567 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.744 -4.430 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.123 -4.275 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.292 -5.557 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.009 -3.714 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.737 -4.810 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.098 -3.068 -1.400 1.00 0.00 H new ATOM 539 N LYS A 36 5.633 -4.807 -6.362 1.00 0.00 N ATOM 540 CA LYS A 36 5.416 -5.347 -7.694 1.00 0.00 C ATOM 541 C LYS A 36 6.386 -6.500 -7.948 1.00 0.00 C ATOM 542 O LYS A 36 6.135 -7.366 -8.785 1.00 0.00 O ATOM 543 CB LYS A 36 5.621 -4.258 -8.748 1.00 0.00 C ATOM 544 CG LYS A 36 4.535 -3.189 -8.761 1.00 0.00 C ATOM 545 CD LYS A 36 5.130 -1.794 -8.911 1.00 0.00 C ATOM 546 CE LYS A 36 6.152 -1.725 -10.032 1.00 0.00 C ATOM 547 NZ LYS A 36 5.621 -2.295 -11.302 1.00 0.00 N ATOM 0 H LYS A 36 6.127 -3.915 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 36 4.392 -5.714 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.585 -3.779 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.668 -4.725 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.843 -3.381 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.958 -3.243 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.331 -1.079 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.601 -1.499 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.444 -0.687 -10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.051 -2.267 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.052 -1.803 -12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.851 -3.308 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.589 -2.173 -11.332 1.00 0.00 H new ATOM 561 N LYS A 37 7.503 -6.501 -7.209 1.00 0.00 N ATOM 562 CA LYS A 37 8.524 -7.537 -7.334 1.00 0.00 C ATOM 563 C LYS A 37 7.898 -8.924 -7.432 1.00 0.00 C ATOM 564 O LYS A 37 8.331 -9.756 -8.228 1.00 0.00 O ATOM 565 CB LYS A 37 9.478 -7.472 -6.136 1.00 0.00 C ATOM 566 CG LYS A 37 10.628 -8.463 -6.219 1.00 0.00 C ATOM 567 CD LYS A 37 10.321 -9.747 -5.461 1.00 0.00 C ATOM 568 CE LYS A 37 11.388 -10.802 -5.706 1.00 0.00 C ATOM 569 NZ LYS A 37 11.126 -12.048 -4.934 1.00 0.00 N ATOM 0 H LYS A 37 7.719 -5.787 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 37 9.082 -7.357 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.884 -6.463 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.914 -7.659 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.832 -8.697 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.531 -8.007 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.255 -9.535 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.349 -10.131 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.429 -11.036 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.364 -10.402 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.998 -12.612 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.812 -11.802 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.385 -12.602 -5.409 1.00 0.00 H new ATOM 583 N LYS A 38 6.878 -9.162 -6.620 1.00 0.00 N ATOM 584 CA LYS A 38 6.191 -10.439 -6.617 1.00 0.00 C ATOM 585 C LYS A 38 4.877 -10.325 -7.396 1.00 0.00 C ATOM 586 O LYS A 38 4.813 -9.607 -8.394 1.00 0.00 O ATOM 587 CB LYS A 38 5.956 -10.872 -5.170 1.00 0.00 C ATOM 588 CG LYS A 38 5.921 -12.381 -4.977 1.00 0.00 C ATOM 589 CD LYS A 38 6.472 -12.776 -3.621 1.00 0.00 C ATOM 590 CE LYS A 38 7.947 -12.428 -3.495 1.00 0.00 C ATOM 591 NZ LYS A 38 8.567 -13.053 -2.293 1.00 0.00 N ATOM 0 H LYS A 38 6.509 -8.483 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 38 6.799 -11.198 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.743 -10.453 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.013 -10.449 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.896 -12.738 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.502 -12.864 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.909 -12.269 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.336 -13.847 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.475 -12.759 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.061 -11.345 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.584 -13.194 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.435 -12.430 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.116 -13.972 -2.108 1.00 0.00 H new ATOM 605 N SER A 39 3.832 -11.025 -6.957 1.00 0.00 N ATOM 606 CA SER A 39 2.548 -10.969 -7.645 1.00 0.00 C ATOM 607 C SER A 39 1.458 -10.423 -6.729 1.00 0.00 C ATOM 608 O SER A 39 1.605 -10.420 -5.507 1.00 0.00 O ATOM 609 CB SER A 39 2.156 -12.357 -8.155 1.00 0.00 C ATOM 610 OG SER A 39 3.106 -12.846 -9.086 1.00 0.00 O ATOM 0 H SER A 39 3.850 -11.631 -6.137 1.00 0.00 H new ATOM 0 HA SER A 39 2.652 -10.294 -8.494 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.077 -13.047 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.173 -12.311 -8.624 1.00 0.00 H new ATOM 0 HG SER A 39 2.833 -13.735 -9.395 1.00 0.00 H new ATOM 616 N ALA A 40 0.365 -9.960 -7.325 1.00 0.00 N ATOM 617 CA ALA A 40 -0.749 -9.417 -6.561 1.00 0.00 C ATOM 618 C ALA A 40 -1.173 -10.377 -5.456 1.00 0.00 C ATOM 619 O ALA A 40 -1.692 -9.957 -4.424 1.00 0.00 O ATOM 620 CB ALA A 40 -1.915 -9.131 -7.489 1.00 0.00 C ATOM 0 H ALA A 40 0.228 -9.950 -8.336 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.428 -8.487 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.747 -8.725 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.609 -8.408 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.228 -10.055 -7.976 1.00 0.00 H new ATOM 626 N ASP A 41 -0.938 -11.668 -5.676 1.00 0.00 N ATOM 627 CA ASP A 41 -1.303 -12.694 -4.705 1.00 0.00 C ATOM 628 C ASP A 41 -0.447 -12.605 -3.443 1.00 0.00 C ATOM 629 O ASP A 41 -0.970 -12.477 -2.336 1.00 0.00 O ATOM 630 CB ASP A 41 -1.165 -14.085 -5.329 1.00 0.00 C ATOM 631 CG ASP A 41 -2.066 -14.269 -6.535 1.00 0.00 C ATOM 632 OD1 ASP A 41 -3.237 -14.661 -6.347 1.00 0.00 O ATOM 633 OD2 ASP A 41 -1.600 -14.023 -7.668 1.00 0.00 O ATOM 0 H ASP A 41 -0.495 -12.029 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.341 -12.524 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.128 -14.246 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.404 -14.841 -4.581 1.00 0.00 H new ATOM 638 N ASP A 42 0.869 -12.682 -3.611 1.00 0.00 N ATOM 639 CA ASP A 42 1.785 -12.615 -2.476 1.00 0.00 C ATOM 640 C ASP A 42 1.641 -11.291 -1.734 1.00 0.00 C ATOM 641 O ASP A 42 1.535 -11.264 -0.508 1.00 0.00 O ATOM 642 CB ASP A 42 3.229 -12.805 -2.944 1.00 0.00 C ATOM 643 CG ASP A 42 3.463 -14.171 -3.559 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.225 -14.322 -4.776 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.883 -15.089 -2.824 1.00 0.00 O ATOM 0 H ASP A 42 1.324 -12.790 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 42 1.529 -13.421 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.476 -12.034 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.903 -12.670 -2.098 1.00 0.00 H new ATOM 650 N VAL A 43 1.649 -10.191 -2.476 1.00 0.00 N ATOM 651 CA VAL A 43 1.499 -8.877 -1.870 1.00 0.00 C ATOM 652 C VAL A 43 0.143 -8.780 -1.176 1.00 0.00 C ATOM 653 O VAL A 43 0.018 -8.188 -0.105 1.00 0.00 O ATOM 654 CB VAL A 43 1.649 -7.754 -2.918 1.00 0.00 C ATOM 655 CG1 VAL A 43 3.091 -7.682 -3.407 1.00 0.00 C ATOM 656 CG2 VAL A 43 0.708 -7.982 -4.091 1.00 0.00 C ATOM 0 H VAL A 43 1.757 -10.183 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 43 2.291 -8.748 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 43 1.386 -6.807 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.185 -6.886 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.751 -7.475 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.369 -8.633 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.831 -7.179 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.940 -8.937 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.322 -7.994 -3.734 1.00 0.00 H new ATOM 666 N LYS A 44 -0.861 -9.395 -1.792 1.00 0.00 N ATOM 667 CA LYS A 44 -2.218 -9.424 -1.253 1.00 0.00 C ATOM 668 C LYS A 44 -2.237 -9.969 0.172 1.00 0.00 C ATOM 669 O LYS A 44 -3.093 -9.613 0.974 1.00 0.00 O ATOM 670 CB LYS A 44 -3.120 -10.293 -2.130 1.00 0.00 C ATOM 671 CG LYS A 44 -3.983 -9.512 -3.106 1.00 0.00 C ATOM 672 CD LYS A 44 -4.650 -10.440 -4.110 1.00 0.00 C ATOM 673 CE LYS A 44 -5.934 -9.844 -4.656 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.560 -10.719 -5.686 1.00 0.00 N ATOM 0 H LYS A 44 -0.758 -9.888 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.588 -8.399 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.498 -10.991 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.768 -10.889 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.744 -8.956 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.371 -8.780 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.963 -10.641 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.866 -11.397 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.637 -9.686 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.724 -8.866 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.434 -10.276 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.899 -10.849 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.784 -11.644 -5.266 1.00 0.00 H new ATOM 688 N LYS A 45 -1.285 -10.839 0.474 1.00 0.00 N ATOM 689 CA LYS A 45 -1.214 -11.482 1.778 1.00 0.00 C ATOM 690 C LYS A 45 -1.166 -10.452 2.891 1.00 0.00 C ATOM 691 O LYS A 45 -1.820 -10.615 3.923 1.00 0.00 O ATOM 692 CB LYS A 45 0.011 -12.400 1.865 1.00 0.00 C ATOM 693 CG LYS A 45 0.056 -13.501 0.808 1.00 0.00 C ATOM 694 CD LYS A 45 -1.318 -14.090 0.531 1.00 0.00 C ATOM 695 CE LYS A 45 -1.221 -15.485 -0.067 1.00 0.00 C ATOM 696 NZ LYS A 45 -0.645 -16.464 0.895 1.00 0.00 N ATOM 0 H LYS A 45 -0.546 -11.118 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.115 -12.083 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.911 -11.792 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.034 -12.861 2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.469 -13.098 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.728 -14.292 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.890 -14.130 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.863 -13.438 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.213 -15.818 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.604 -15.453 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.941 -17.425 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.393 -16.403 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.984 -16.249 1.854 1.00 0.00 H new ATOM 710 N VAL A 46 -0.397 -9.389 2.693 1.00 0.00 N ATOM 711 CA VAL A 46 -0.310 -8.348 3.700 1.00 0.00 C ATOM 712 C VAL A 46 -1.701 -7.801 3.988 1.00 0.00 C ATOM 713 O VAL A 46 -1.974 -7.303 5.080 1.00 0.00 O ATOM 714 CB VAL A 46 0.636 -7.196 3.280 1.00 0.00 C ATOM 715 CG1 VAL A 46 -0.005 -6.299 2.230 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.040 -6.388 4.499 1.00 0.00 C ATOM 0 H VAL A 46 0.166 -9.229 1.857 1.00 0.00 H new ATOM 0 HA VAL A 46 0.111 -8.796 4.600 1.00 0.00 H new ATOM 0 HB VAL A 46 1.527 -7.636 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.688 -5.502 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.243 -6.888 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.919 -5.863 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.705 -5.580 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.150 -5.969 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.555 -7.034 5.210 1.00 0.00 H new ATOM 726 N PHE A 47 -2.582 -7.898 2.990 1.00 0.00 N ATOM 727 CA PHE A 47 -3.946 -7.416 3.130 1.00 0.00 C ATOM 728 C PHE A 47 -4.578 -7.938 4.410 1.00 0.00 C ATOM 729 O PHE A 47 -5.224 -7.201 5.135 1.00 0.00 O ATOM 730 CB PHE A 47 -4.807 -7.838 1.951 1.00 0.00 C ATOM 731 CG PHE A 47 -6.198 -7.268 1.994 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.401 -5.913 2.201 1.00 0.00 C ATOM 733 CD2 PHE A 47 -7.302 -8.091 1.833 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.680 -5.389 2.246 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.582 -7.572 1.876 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.771 -6.220 2.083 1.00 0.00 C ATOM 0 H PHE A 47 -2.370 -8.306 2.080 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.896 -6.328 3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.322 -7.525 1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.869 -8.926 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.551 -5.259 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.160 -9.149 1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.826 -4.331 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.434 -8.223 1.748 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.771 -5.813 2.117 1.00 0.00 H new ATOM 746 N HIS A 48 -4.390 -9.224 4.670 1.00 0.00 N ATOM 747 CA HIS A 48 -4.942 -9.848 5.864 1.00 0.00 C ATOM 748 C HIS A 48 -4.224 -9.325 7.096 1.00 0.00 C ATOM 749 O HIS A 48 -4.793 -9.256 8.186 1.00 0.00 O ATOM 750 CB HIS A 48 -4.807 -11.369 5.784 1.00 0.00 C ATOM 751 CG HIS A 48 -5.259 -12.074 7.025 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.398 -12.749 7.865 1.00 0.00 N ATOM 753 CD2 HIS A 48 -6.492 -12.205 7.570 1.00 0.00 C ATOM 754 CE1 HIS A 48 -5.081 -13.264 8.871 1.00 0.00 C ATOM 755 NE2 HIS A 48 -6.353 -12.949 8.716 1.00 0.00 N ATOM 0 H HIS A 48 -3.859 -9.856 4.070 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.001 -9.598 5.933 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.388 -11.733 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.765 -11.624 5.590 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.413 -11.800 7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.668 -13.845 9.683 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.110 -13.215 9.345 1.00 0.00 H new ATOM 764 N ILE A 49 -2.963 -8.960 6.906 1.00 0.00 N ATOM 765 CA ILE A 49 -2.145 -8.428 7.977 1.00 0.00 C ATOM 766 C ILE A 49 -2.625 -7.046 8.385 1.00 0.00 C ATOM 767 O ILE A 49 -2.842 -6.770 9.564 1.00 0.00 O ATOM 768 CB ILE A 49 -0.677 -8.317 7.536 1.00 0.00 C ATOM 769 CG1 ILE A 49 -0.194 -9.644 6.952 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.198 -7.892 8.705 1.00 0.00 C ATOM 771 CD1 ILE A 49 -0.379 -10.817 7.887 1.00 0.00 C ATOM 0 H ILE A 49 -2.484 -9.026 6.008 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.228 -9.113 8.821 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.603 -7.555 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.731 -9.841 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.862 -9.556 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.234 -7.818 8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.135 -6.922 9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.123 -8.630 9.503 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.015 -11.726 7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.181 -10.642 8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.437 -10.931 8.123 1.00 0.00 H new ATOM 783 N LEU A 50 -2.786 -6.179 7.393 1.00 0.00 N ATOM 784 CA LEU A 50 -3.211 -4.817 7.630 1.00 0.00 C ATOM 785 C LEU A 50 -4.735 -4.678 7.679 1.00 0.00 C ATOM 786 O LEU A 50 -5.259 -3.815 8.385 1.00 0.00 O ATOM 787 CB LEU A 50 -2.615 -3.931 6.544 1.00 0.00 C ATOM 788 CG LEU A 50 -3.137 -4.163 5.127 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.419 -3.380 4.883 1.00 0.00 C ATOM 790 CD2 LEU A 50 -2.072 -3.775 4.112 1.00 0.00 C ATOM 0 H LEU A 50 -2.626 -6.404 6.411 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.851 -4.505 8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.798 -2.890 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.534 -4.073 6.539 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.366 -5.222 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.769 -3.563 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.182 -3.700 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.226 -2.315 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.451 -3.943 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.820 -2.722 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.181 -4.382 4.270 1.00 0.00 H new ATOM 802 N ASP A 51 -5.446 -5.522 6.936 1.00 0.00 N ATOM 803 CA ASP A 51 -6.908 -5.468 6.915 1.00 0.00 C ATOM 804 C ASP A 51 -7.509 -6.460 7.907 1.00 0.00 C ATOM 805 O ASP A 51 -8.464 -7.169 7.590 1.00 0.00 O ATOM 806 CB ASP A 51 -7.429 -5.765 5.516 1.00 0.00 C ATOM 807 CG ASP A 51 -8.879 -5.369 5.328 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.764 -6.155 5.724 1.00 0.00 O ATOM 809 OD2 ASP A 51 -9.130 -4.273 4.782 1.00 0.00 O ATOM 0 H ASP A 51 -5.039 -6.247 6.344 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.208 -4.461 7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.816 -5.236 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.320 -6.830 5.312 1.00 0.00 H new ATOM 814 N LYS A 52 -6.944 -6.506 9.110 1.00 0.00 N ATOM 815 CA LYS A 52 -7.418 -7.417 10.145 1.00 0.00 C ATOM 816 C LYS A 52 -8.788 -6.999 10.680 1.00 0.00 C ATOM 817 O LYS A 52 -9.702 -7.817 10.776 1.00 0.00 O ATOM 818 CB LYS A 52 -6.411 -7.474 11.293 1.00 0.00 C ATOM 819 CG LYS A 52 -6.388 -6.210 12.132 1.00 0.00 C ATOM 820 CD LYS A 52 -5.313 -6.259 13.199 1.00 0.00 C ATOM 821 CE LYS A 52 -5.522 -7.428 14.148 1.00 0.00 C ATOM 822 NZ LYS A 52 -4.532 -7.426 15.260 1.00 0.00 N ATOM 0 H LYS A 52 -6.157 -5.922 9.392 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.519 -8.405 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.648 -8.323 11.934 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.415 -7.650 10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.219 -5.349 11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.361 -6.069 12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.334 -6.343 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.316 -5.326 13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.530 -7.385 14.560 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.443 -8.363 13.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.709 -8.239 15.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.571 -7.493 14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.624 -6.545 15.805 1.00 0.00 H new ATOM 836 N ASP A 53 -8.922 -5.721 11.028 1.00 0.00 N ATOM 837 CA ASP A 53 -10.173 -5.204 11.571 1.00 0.00 C ATOM 838 C ASP A 53 -10.834 -4.203 10.624 1.00 0.00 C ATOM 839 O ASP A 53 -11.929 -3.713 10.902 1.00 0.00 O ATOM 840 CB ASP A 53 -9.929 -4.545 12.931 1.00 0.00 C ATOM 841 CG ASP A 53 -8.909 -3.425 12.855 1.00 0.00 C ATOM 842 OD1 ASP A 53 -7.701 -3.714 12.977 1.00 0.00 O ATOM 843 OD2 ASP A 53 -9.319 -2.260 12.674 1.00 0.00 O ATOM 0 H ASP A 53 -8.180 -5.026 10.943 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.850 -6.050 11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.870 -4.151 13.315 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.586 -5.298 13.640 1.00 0.00 H new ATOM 848 N LYS A 54 -10.176 -3.902 9.507 1.00 0.00 N ATOM 849 CA LYS A 54 -10.728 -2.965 8.537 1.00 0.00 C ATOM 850 C LYS A 54 -12.079 -3.449 8.010 1.00 0.00 C ATOM 851 O LYS A 54 -12.830 -2.679 7.416 1.00 0.00 O ATOM 852 CB LYS A 54 -9.761 -2.755 7.384 1.00 0.00 C ATOM 853 CG LYS A 54 -8.347 -2.418 7.829 1.00 0.00 C ATOM 854 CD LYS A 54 -8.304 -1.106 8.594 1.00 0.00 C ATOM 855 CE LYS A 54 -6.970 -0.914 9.295 1.00 0.00 C ATOM 856 NZ LYS A 54 -6.753 -1.932 10.359 1.00 0.00 N ATOM 0 H LYS A 54 -9.267 -4.291 9.254 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.880 -2.013 9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.735 -3.658 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.134 -1.951 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.961 -3.220 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.695 -2.354 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.478 -0.277 7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.109 -1.086 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.163 -0.974 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.930 0.083 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.206 -1.510 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.672 -2.259 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.229 -2.739 9.965 1.00 0.00 H new ATOM 870 N SER A 55 -12.373 -4.736 8.224 1.00 0.00 N ATOM 871 CA SER A 55 -13.638 -5.333 7.794 1.00 0.00 C ATOM 872 C SER A 55 -13.644 -5.629 6.298 1.00 0.00 C ATOM 873 O SER A 55 -14.677 -5.515 5.638 1.00 0.00 O ATOM 874 CB SER A 55 -14.820 -4.425 8.153 1.00 0.00 C ATOM 875 OG SER A 55 -16.053 -5.094 7.954 1.00 0.00 O ATOM 0 H SER A 55 -11.745 -5.387 8.696 1.00 0.00 H new ATOM 0 HA SER A 55 -13.743 -6.279 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.737 -4.109 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.789 -3.523 7.542 1.00 0.00 H new ATOM 0 HG SER A 55 -16.062 -5.506 7.065 1.00 0.00 H new ATOM 881 N GLY A 56 -12.487 -6.012 5.767 1.00 0.00 N ATOM 882 CA GLY A 56 -12.388 -6.330 4.352 1.00 0.00 C ATOM 883 C GLY A 56 -12.229 -5.105 3.466 1.00 0.00 C ATOM 884 O GLY A 56 -11.964 -5.233 2.272 1.00 0.00 O ATOM 0 H GLY A 56 -11.616 -6.108 6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.538 -6.995 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.281 -6.876 4.047 1.00 0.00 H new ATOM 888 N PHE A 57 -12.388 -3.918 4.043 1.00 0.00 N ATOM 889 CA PHE A 57 -12.257 -2.682 3.281 1.00 0.00 C ATOM 890 C PHE A 57 -11.420 -1.664 4.039 1.00 0.00 C ATOM 891 O PHE A 57 -11.599 -1.468 5.240 1.00 0.00 O ATOM 892 CB PHE A 57 -13.631 -2.079 2.977 1.00 0.00 C ATOM 893 CG PHE A 57 -14.525 -2.983 2.178 1.00 0.00 C ATOM 894 CD1 PHE A 57 -15.334 -3.913 2.812 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.559 -2.903 0.795 1.00 0.00 C ATOM 896 CE1 PHE A 57 -16.159 -4.746 2.082 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.382 -3.734 0.059 1.00 0.00 C ATOM 898 CZ PHE A 57 -16.184 -4.657 0.704 1.00 0.00 C ATOM 0 H PHE A 57 -12.607 -3.786 5.031 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.759 -2.928 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.125 -1.832 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.495 -1.144 2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.319 -3.987 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.935 -2.183 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.784 -5.467 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.399 -3.663 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.829 -5.307 0.131 1.00 0.00 H new ATOM 908 N ILE A 58 -10.507 -1.019 3.328 1.00 0.00 N ATOM 909 CA ILE A 58 -9.654 -0.007 3.932 1.00 0.00 C ATOM 910 C ILE A 58 -10.131 1.369 3.509 1.00 0.00 C ATOM 911 O ILE A 58 -10.152 1.704 2.326 1.00 0.00 O ATOM 912 CB ILE A 58 -8.164 -0.185 3.560 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.852 -1.644 3.208 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.290 0.269 4.718 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.398 -1.886 2.865 1.00 0.00 C ATOM 0 H ILE A 58 -10.338 -1.178 2.335 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.727 -0.119 5.014 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.954 0.426 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.129 -2.279 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.471 -1.946 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.240 0.142 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.486 1.320 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.516 -0.329 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.251 -2.939 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.121 -1.277 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.773 -1.616 3.717 1.00 0.00 H new ATOM 927 N GLU A 59 -10.491 2.165 4.499 1.00 0.00 N ATOM 928 CA GLU A 59 -11.025 3.490 4.273 1.00 0.00 C ATOM 929 C GLU A 59 -9.994 4.569 4.553 1.00 0.00 C ATOM 930 O GLU A 59 -9.329 4.564 5.583 1.00 0.00 O ATOM 931 CB GLU A 59 -12.232 3.676 5.181 1.00 0.00 C ATOM 932 CG GLU A 59 -13.556 3.345 4.512 1.00 0.00 C ATOM 933 CD GLU A 59 -14.742 3.563 5.431 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.211 4.716 5.531 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.201 2.581 6.051 1.00 0.00 O ATOM 0 H GLU A 59 -10.420 1.908 5.483 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.310 3.583 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.113 3.046 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.259 4.709 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.673 3.962 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.543 2.306 4.182 1.00 0.00 H new ATOM 942 N GLU A 60 -9.906 5.505 3.615 1.00 0.00 N ATOM 943 CA GLU A 60 -8.974 6.633 3.684 1.00 0.00 C ATOM 944 C GLU A 60 -8.756 7.127 5.111 1.00 0.00 C ATOM 945 O GLU A 60 -7.672 7.603 5.445 1.00 0.00 O ATOM 946 CB GLU A 60 -9.505 7.777 2.833 1.00 0.00 C ATOM 947 CG GLU A 60 -10.968 8.038 3.095 1.00 0.00 C ATOM 948 CD GLU A 60 -11.350 9.492 2.914 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.261 10.258 3.897 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.740 9.868 1.788 1.00 0.00 O ATOM 0 H GLU A 60 -10.484 5.505 2.775 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.012 6.284 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.932 8.681 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.361 7.543 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.567 7.424 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.211 7.728 4.111 1.00 0.00 H new ATOM 957 N ASP A 61 -9.787 7.027 5.944 1.00 0.00 N ATOM 958 CA ASP A 61 -9.679 7.468 7.328 1.00 0.00 C ATOM 959 C ASP A 61 -8.678 6.601 8.082 1.00 0.00 C ATOM 960 O ASP A 61 -7.764 7.109 8.730 1.00 0.00 O ATOM 961 CB ASP A 61 -11.044 7.421 8.017 1.00 0.00 C ATOM 962 CG ASP A 61 -12.029 8.405 7.418 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.692 8.049 6.421 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.137 9.532 7.944 1.00 0.00 O ATOM 0 H ASP A 61 -10.698 6.648 5.687 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.325 8.499 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.451 6.413 7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.920 7.636 9.078 1.00 0.00 H new ATOM 969 N GLU A 62 -8.859 5.288 7.991 1.00 0.00 N ATOM 970 CA GLU A 62 -7.960 4.344 8.645 1.00 0.00 C ATOM 971 C GLU A 62 -6.787 4.006 7.724 1.00 0.00 C ATOM 972 O GLU A 62 -5.734 3.557 8.176 1.00 0.00 O ATOM 973 CB GLU A 62 -8.710 3.066 9.024 1.00 0.00 C ATOM 974 CG GLU A 62 -9.978 3.318 9.824 1.00 0.00 C ATOM 975 CD GLU A 62 -10.655 2.035 10.262 1.00 0.00 C ATOM 976 OE1 GLU A 62 -11.140 1.290 9.385 1.00 0.00 O ATOM 977 OE2 GLU A 62 -10.696 1.772 11.482 1.00 0.00 O ATOM 0 H GLU A 62 -9.621 4.853 7.470 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.576 4.807 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.966 2.522 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.047 2.424 9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.736 3.915 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.673 3.904 9.222 1.00 0.00 H new ATOM 984 N LEU A 63 -6.989 4.225 6.427 1.00 0.00 N ATOM 985 CA LEU A 63 -5.975 3.962 5.421 1.00 0.00 C ATOM 986 C LEU A 63 -4.654 4.613 5.799 1.00 0.00 C ATOM 987 O LEU A 63 -3.598 3.979 5.767 1.00 0.00 O ATOM 988 CB LEU A 63 -6.458 4.490 4.066 1.00 0.00 C ATOM 989 CG LEU A 63 -6.032 3.690 2.826 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.716 2.953 3.052 1.00 0.00 C ATOM 991 CD2 LEU A 63 -7.131 2.717 2.431 1.00 0.00 C ATOM 0 H LEU A 63 -7.863 4.590 6.048 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.812 2.886 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.547 4.534 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.100 5.513 3.951 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.871 4.396 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.450 2.399 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.930 3.673 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.826 2.259 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.820 2.154 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.320 2.028 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.042 3.270 2.204 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.728 5.880 6.166 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.539 6.615 6.547 1.00 0.00 C ATOM 1005 C GLY A 64 -2.927 6.075 7.818 1.00 0.00 C ATOM 1006 O GLY A 64 -1.724 6.208 8.045 1.00 0.00 O ATOM 0 H GLY A 64 -5.594 6.417 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.807 6.564 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.790 7.667 6.683 1.00 0.00 H new ATOM 1010 N SER A 65 -3.760 5.464 8.649 1.00 0.00 N ATOM 1011 CA SER A 65 -3.296 4.882 9.897 1.00 0.00 C ATOM 1012 C SER A 65 -2.683 3.520 9.622 1.00 0.00 C ATOM 1013 O SER A 65 -1.507 3.292 9.863 1.00 0.00 O ATOM 1014 CB SER A 65 -4.454 4.747 10.887 1.00 0.00 C ATOM 1015 OG SER A 65 -4.004 4.249 12.135 1.00 0.00 O ATOM 0 H SER A 65 -4.760 5.359 8.480 1.00 0.00 H new ATOM 0 HA SER A 65 -2.543 5.536 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.929 5.717 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.211 4.078 10.477 1.00 0.00 H new ATOM 0 HG SER A 65 -4.763 4.174 12.750 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.488 2.624 9.083 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.031 1.283 8.762 1.00 0.00 C ATOM 1023 C ILE A 66 -1.749 1.321 7.925 1.00 0.00 C ATOM 1024 O ILE A 66 -0.985 0.355 7.897 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.118 0.505 8.003 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.725 -0.954 7.862 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.366 1.132 6.640 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.361 -1.613 9.174 1.00 0.00 C ATOM 0 H ILE A 66 -4.467 2.801 8.857 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.819 0.776 9.703 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.045 0.555 8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.550 -1.501 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.878 -1.029 7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.138 0.569 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.693 2.164 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.445 1.113 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.091 -2.654 8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.516 -1.090 9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.214 -1.570 9.852 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.522 2.444 7.244 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.340 2.627 6.406 1.00 0.00 C ATOM 1042 C LEU A 67 0.946 2.185 7.097 1.00 0.00 C ATOM 1043 O LEU A 67 1.740 1.426 6.529 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.231 4.102 6.029 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.357 4.408 4.534 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.961 4.153 3.834 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.450 3.571 3.891 1.00 0.00 C ATOM 0 H LEU A 67 -2.150 3.248 7.258 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.459 2.002 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.005 4.654 6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.729 4.479 6.380 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.624 5.460 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.858 4.374 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.731 4.793 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.244 3.108 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.515 3.811 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.216 2.513 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.404 3.788 4.371 1.00 0.00 H new ATOM 1059 N LYS A 68 1.151 2.650 8.324 1.00 0.00 N ATOM 1060 CA LYS A 68 2.361 2.325 9.057 1.00 0.00 C ATOM 1061 C LYS A 68 2.673 0.828 9.090 1.00 0.00 C ATOM 1062 O LYS A 68 3.780 0.451 9.465 1.00 0.00 O ATOM 1063 CB LYS A 68 2.314 2.916 10.461 1.00 0.00 C ATOM 1064 CG LYS A 68 0.939 2.938 11.097 1.00 0.00 C ATOM 1065 CD LYS A 68 0.231 1.599 10.977 1.00 0.00 C ATOM 1066 CE LYS A 68 0.949 0.513 11.762 1.00 0.00 C ATOM 1067 NZ LYS A 68 0.247 -0.797 11.668 1.00 0.00 N ATOM 0 H LYS A 68 0.497 3.250 8.827 1.00 0.00 H new ATOM 0 HA LYS A 68 3.185 2.783 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.986 2.346 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.698 3.936 10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.031 3.205 12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.334 3.711 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.792 1.694 11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.172 1.311 9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.967 0.407 11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.024 0.810 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.768 -1.510 12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.716 -0.703 12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.198 -1.094 10.672 1.00 0.00 H new ATOM 1081 N GLY A 69 1.729 -0.042 8.708 1.00 0.00 N ATOM 1082 CA GLY A 69 2.032 -1.468 8.687 1.00 0.00 C ATOM 1083 C GLY A 69 3.357 -1.720 7.986 1.00 0.00 C ATOM 1084 O GLY A 69 4.229 -2.417 8.505 1.00 0.00 O ATOM 0 H GLY A 69 0.783 0.209 8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.074 -1.852 9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.235 -2.008 8.176 1.00 0.00 H new ATOM 1088 N PHE A 70 3.491 -1.138 6.798 1.00 0.00 N ATOM 1089 CA PHE A 70 4.718 -1.232 6.024 1.00 0.00 C ATOM 1090 C PHE A 70 5.549 0.031 6.243 1.00 0.00 C ATOM 1091 O PHE A 70 6.751 -0.021 6.501 1.00 0.00 O ATOM 1092 CB PHE A 70 4.420 -1.411 4.529 1.00 0.00 C ATOM 1093 CG PHE A 70 3.182 -0.702 4.048 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.929 -1.258 4.253 1.00 0.00 C ATOM 1095 CD2 PHE A 70 3.271 0.513 3.381 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.788 -0.617 3.807 1.00 0.00 C ATOM 1097 CE2 PHE A 70 2.131 1.157 2.929 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.890 0.591 3.144 1.00 0.00 C ATOM 0 H PHE A 70 2.755 -0.592 6.350 1.00 0.00 H new ATOM 0 HA PHE A 70 5.276 -2.106 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.275 -1.051 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.319 -2.475 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.843 -2.204 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.239 0.960 3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.182 -1.060 3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.213 2.100 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.000 1.092 2.794 1.00 0.00 H new ATOM 1108 N SER A 71 4.851 1.161 6.160 1.00 0.00 N ATOM 1109 CA SER A 71 5.421 2.498 6.313 1.00 0.00 C ATOM 1110 C SER A 71 5.838 2.828 7.747 1.00 0.00 C ATOM 1111 O SER A 71 6.275 3.945 8.012 1.00 0.00 O ATOM 1112 CB SER A 71 4.425 3.543 5.819 1.00 0.00 C ATOM 1113 OG SER A 71 3.842 3.150 4.589 1.00 0.00 O ATOM 0 H SER A 71 3.847 1.173 5.980 1.00 0.00 H new ATOM 0 HA SER A 71 6.330 2.515 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.644 3.687 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.929 4.501 5.696 1.00 0.00 H new ATOM 0 HG SER A 71 4.085 2.221 4.394 1.00 0.00 H new ATOM 1119 N SER A 72 5.692 1.891 8.680 1.00 0.00 N ATOM 1120 CA SER A 72 6.051 2.155 10.079 1.00 0.00 C ATOM 1121 C SER A 72 7.402 2.870 10.189 1.00 0.00 C ATOM 1122 O SER A 72 7.656 3.576 11.165 1.00 0.00 O ATOM 1123 CB SER A 72 6.104 0.850 10.878 1.00 0.00 C ATOM 1124 OG SER A 72 6.700 -0.189 10.121 1.00 0.00 O ATOM 0 H SER A 72 5.333 0.953 8.501 1.00 0.00 H new ATOM 0 HA SER A 72 5.279 2.805 10.492 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.670 1.005 11.796 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.095 0.558 11.171 1.00 0.00 H new ATOM 0 HG SER A 72 6.723 -1.011 10.655 1.00 0.00 H new ATOM 1130 N ASP A 73 8.261 2.689 9.190 1.00 0.00 N ATOM 1131 CA ASP A 73 9.564 3.344 9.183 1.00 0.00 C ATOM 1132 C ASP A 73 9.566 4.527 8.215 1.00 0.00 C ATOM 1133 O ASP A 73 10.578 4.822 7.579 1.00 0.00 O ATOM 1134 CB ASP A 73 10.659 2.356 8.797 1.00 0.00 C ATOM 1135 CG ASP A 73 10.525 1.030 9.519 1.00 0.00 C ATOM 1136 OD1 ASP A 73 11.047 0.914 10.648 1.00 0.00 O ATOM 1137 OD2 ASP A 73 9.900 0.107 8.956 1.00 0.00 O ATOM 0 H ASP A 73 8.079 2.097 8.379 1.00 0.00 H new ATOM 0 HA ASP A 73 9.762 3.713 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.627 2.185 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.633 2.792 9.022 1.00 0.00 H new ATOM 1142 N ALA A 74 8.423 5.206 8.116 1.00 0.00 N ATOM 1143 CA ALA A 74 8.283 6.351 7.219 1.00 0.00 C ATOM 1144 C ALA A 74 6.951 7.074 7.442 1.00 0.00 C ATOM 1145 O ALA A 74 6.336 6.947 8.500 1.00 0.00 O ATOM 1146 CB ALA A 74 8.410 5.892 5.774 1.00 0.00 C ATOM 0 H ALA A 74 7.581 4.982 8.646 1.00 0.00 H new ATOM 0 HA ALA A 74 9.081 7.060 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.305 6.749 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.387 5.433 5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.629 5.164 5.553 1.00 0.00 H new ATOM 1152 N ARG A 75 6.512 7.833 6.437 1.00 0.00 N ATOM 1153 CA ARG A 75 5.258 8.581 6.522 1.00 0.00 C ATOM 1154 C ARG A 75 4.058 7.707 6.149 1.00 0.00 C ATOM 1155 O ARG A 75 4.191 6.499 5.963 1.00 0.00 O ATOM 1156 CB ARG A 75 5.316 9.806 5.606 1.00 0.00 C ATOM 1157 CG ARG A 75 6.441 10.768 5.949 1.00 0.00 C ATOM 1158 CD ARG A 75 6.302 11.304 7.365 1.00 0.00 C ATOM 1159 NE ARG A 75 7.396 12.203 7.717 1.00 0.00 N ATOM 1160 CZ ARG A 75 7.403 12.964 8.807 1.00 0.00 C ATOM 1161 NH1 ARG A 75 6.375 12.934 9.645 1.00 0.00 N ATOM 1162 NH2 ARG A 75 8.435 13.757 9.059 1.00 0.00 N ATOM 0 H ARG A 75 7.008 7.946 5.553 1.00 0.00 H new ATOM 0 HA ARG A 75 5.130 8.905 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.435 9.473 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.365 10.337 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.400 10.261 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.440 11.598 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.353 11.832 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.276 10.471 8.068 1.00 0.00 H new ATOM 0 HE ARG A 75 8.200 12.250 7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.578 12.327 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.381 13.518 10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.226 13.784 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.438 14.340 9.896 1.00 0.00 H new ATOM 1176 N ASP A 76 2.886 8.332 6.043 1.00 0.00 N ATOM 1177 CA ASP A 76 1.656 7.623 5.696 1.00 0.00 C ATOM 1178 C ASP A 76 1.058 8.174 4.397 1.00 0.00 C ATOM 1179 O ASP A 76 1.736 8.864 3.637 1.00 0.00 O ATOM 1180 CB ASP A 76 0.644 7.747 6.840 1.00 0.00 C ATOM 1181 CG ASP A 76 0.089 9.151 6.972 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -0.816 9.508 6.190 1.00 0.00 O ATOM 1183 OD2 ASP A 76 0.558 9.893 7.860 1.00 0.00 O ATOM 0 H ASP A 76 2.763 9.333 6.193 1.00 0.00 H new ATOM 0 HA ASP A 76 1.894 6.571 5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.177 7.049 6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.121 7.459 7.776 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.213 7.865 4.151 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.903 8.326 2.951 1.00 0.00 C ATOM 1190 C LEU A 77 -1.703 9.593 3.262 1.00 0.00 C ATOM 1191 O LEU A 77 -2.489 9.622 4.209 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.780 7.180 2.392 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.309 7.309 2.503 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.944 7.191 1.133 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.864 6.240 3.420 1.00 0.00 C ATOM 0 H LEU A 77 -0.788 7.294 4.771 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.184 8.593 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.533 7.057 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.487 6.260 2.898 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.544 8.288 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.026 7.284 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.565 7.983 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.698 6.221 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.947 6.345 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.619 5.256 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.426 6.349 4.412 1.00 0.00 H new ATOM 1207 N SER A 78 -1.488 10.642 2.473 1.00 0.00 N ATOM 1208 CA SER A 78 -2.187 11.907 2.681 1.00 0.00 C ATOM 1209 C SER A 78 -3.265 12.116 1.626 1.00 0.00 C ATOM 1210 O SER A 78 -3.580 11.207 0.860 1.00 0.00 O ATOM 1211 CB SER A 78 -1.196 13.072 2.651 1.00 0.00 C ATOM 1212 OG SER A 78 -1.857 14.308 2.861 1.00 0.00 O ATOM 0 H SER A 78 -0.838 10.642 1.687 1.00 0.00 H new ATOM 0 HA SER A 78 -2.666 11.870 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.436 12.927 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.680 13.090 1.691 1.00 0.00 H new ATOM 0 HG SER A 78 -2.431 14.242 3.652 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.827 13.321 1.587 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.870 13.650 0.621 1.00 0.00 C ATOM 1220 C ALA A 79 -4.461 13.229 -0.784 1.00 0.00 C ATOM 1221 O ALA A 79 -5.207 12.547 -1.486 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.154 15.142 0.648 1.00 0.00 C ATOM 0 H ALA A 79 -3.577 14.086 2.214 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.773 13.105 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.934 15.377 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.486 15.431 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.246 15.690 0.395 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.265 13.645 -1.183 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.737 13.308 -2.501 1.00 0.00 C ATOM 1230 C LYS A 80 -2.724 11.797 -2.709 1.00 0.00 C ATOM 1231 O LYS A 80 -3.105 11.308 -3.765 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.325 13.870 -2.665 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.261 15.387 -2.588 1.00 0.00 C ATOM 1234 CD LYS A 80 0.140 15.901 -2.872 1.00 0.00 C ATOM 1235 CE LYS A 80 0.205 17.418 -2.791 1.00 0.00 C ATOM 1236 NZ LYS A 80 1.563 17.935 -3.116 1.00 0.00 N ATOM 0 H LYS A 80 -2.642 14.217 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.387 13.755 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.683 13.448 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.923 13.546 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.960 15.818 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.576 15.716 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.839 15.467 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.454 15.575 -3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.522 17.850 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.075 17.740 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.564 18.973 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.253 17.544 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.821 17.650 -4.082 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.279 11.070 -1.691 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.208 9.615 -1.741 1.00 0.00 C ATOM 1252 C GLU A 81 -3.590 9.002 -1.595 1.00 0.00 C ATOM 1253 O GLU A 81 -3.830 7.891 -2.055 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.287 9.094 -0.636 1.00 0.00 C ATOM 1255 CG GLU A 81 0.035 9.845 -0.553 1.00 0.00 C ATOM 1256 CD GLU A 81 1.101 9.081 0.207 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.501 7.996 -0.262 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.534 9.567 1.273 1.00 0.00 O ATOM 0 H GLU A 81 -1.958 11.471 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.802 9.326 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.801 9.170 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.086 8.036 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.393 10.052 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.130 10.808 -0.069 1.00 0.00 H new ATOM 1265 N THR A 82 -4.499 9.694 -0.927 1.00 0.00 N ATOM 1266 CA THR A 82 -5.845 9.168 -0.802 1.00 0.00 C ATOM 1267 C THR A 82 -6.434 9.094 -2.198 1.00 0.00 C ATOM 1268 O THR A 82 -6.985 8.077 -2.615 1.00 0.00 O ATOM 1269 CB THR A 82 -6.732 10.057 0.089 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.193 10.114 1.415 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.156 9.522 0.139 1.00 0.00 C ATOM 0 H THR A 82 -4.336 10.594 -0.476 1.00 0.00 H new ATOM 0 HA THR A 82 -5.805 8.186 -0.331 1.00 0.00 H new ATOM 0 HB THR A 82 -6.751 11.059 -0.339 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.276 10.459 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.764 10.166 0.774 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.574 9.506 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.151 8.511 0.546 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.295 10.201 -2.911 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.745 10.298 -4.284 1.00 0.00 C ATOM 1281 C LYS A 83 -5.785 9.567 -5.224 1.00 0.00 C ATOM 1282 O LYS A 83 -6.201 9.026 -6.246 1.00 0.00 O ATOM 1283 CB LYS A 83 -6.866 11.764 -4.700 1.00 0.00 C ATOM 1284 CG LYS A 83 -7.893 12.543 -3.894 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.293 11.981 -4.085 1.00 0.00 C ATOM 1286 CE LYS A 83 -9.700 11.986 -5.550 1.00 0.00 C ATOM 1287 NZ LYS A 83 -9.665 13.356 -6.131 1.00 0.00 N ATOM 0 H LYS A 83 -5.867 11.054 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.725 9.826 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.893 12.244 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.132 11.813 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.628 12.511 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.876 13.590 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.333 10.963 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.005 12.570 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.032 11.335 -6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.705 11.575 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.092 13.342 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.200 14.006 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.679 13.679 -6.200 1.00 0.00 H new ATOM 1301 N THR A 84 -4.491 9.565 -4.881 1.00 0.00 N ATOM 1302 CA THR A 84 -3.484 8.942 -5.733 1.00 0.00 C ATOM 1303 C THR A 84 -3.278 7.455 -5.449 1.00 0.00 C ATOM 1304 O THR A 84 -3.452 6.619 -6.331 1.00 0.00 O ATOM 1305 CB THR A 84 -2.124 9.663 -5.626 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.265 11.035 -6.014 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.075 8.996 -6.509 1.00 0.00 C ATOM 0 H THR A 84 -4.124 9.985 -4.027 1.00 0.00 H new ATOM 0 HA THR A 84 -3.877 9.037 -6.745 1.00 0.00 H new ATOM 0 HB THR A 84 -1.795 9.603 -4.589 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.868 11.491 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.128 9.526 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.944 7.959 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.403 9.025 -7.548 1.00 0.00 H new ATOM 1315 N LEU A 85 -2.933 7.135 -4.215 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.665 5.751 -3.827 1.00 0.00 C ATOM 1317 C LEU A 85 -3.937 4.940 -3.609 1.00 0.00 C ATOM 1318 O LEU A 85 -4.083 3.851 -4.171 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.819 5.724 -2.554 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.581 4.336 -1.959 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.394 3.664 -2.630 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -1.370 4.433 -0.456 1.00 0.00 C ATOM 0 H LEU A 85 -2.830 7.812 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.125 5.289 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.853 6.180 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.304 6.346 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.464 3.724 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.240 2.677 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.589 3.562 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.499 4.270 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.202 3.437 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.503 5.061 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.254 4.871 0.008 1.00 0.00 H new ATOM 1334 N MET A 86 -4.864 5.462 -2.811 1.00 0.00 N ATOM 1335 CA MET A 86 -6.102 4.735 -2.544 1.00 0.00 C ATOM 1336 C MET A 86 -6.942 4.600 -3.807 1.00 0.00 C ATOM 1337 O MET A 86 -7.419 3.514 -4.134 1.00 0.00 O ATOM 1338 CB MET A 86 -6.921 5.427 -1.457 1.00 0.00 C ATOM 1339 CG MET A 86 -7.741 4.464 -0.617 1.00 0.00 C ATOM 1340 SD MET A 86 -8.781 5.311 0.586 1.00 0.00 S ATOM 1341 CE MET A 86 -9.611 6.500 -0.467 1.00 0.00 C ATOM 0 H MET A 86 -4.786 6.367 -2.346 1.00 0.00 H new ATOM 0 HA MET A 86 -5.825 3.739 -2.197 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.249 5.985 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.589 6.152 -1.922 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.368 3.859 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.071 3.780 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 86 -10.438 6.954 0.079 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.905 7.275 -0.768 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.995 5.995 -1.353 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.117 5.710 -4.515 1.00 0.00 N ATOM 1352 CA ALA A 87 -7.910 5.714 -5.735 1.00 0.00 C ATOM 1353 C ALA A 87 -7.249 4.904 -6.849 1.00 0.00 C ATOM 1354 O ALA A 87 -7.932 4.235 -7.623 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.168 7.139 -6.191 1.00 0.00 C ATOM 0 H ALA A 87 -6.721 6.616 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.863 5.235 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.762 7.127 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.709 7.678 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.218 7.637 -6.383 1.00 0.00 H new ATOM 1361 N ALA A 88 -5.920 4.962 -6.934 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.204 4.220 -7.965 1.00 0.00 C ATOM 1363 C ALA A 88 -5.480 2.732 -7.841 1.00 0.00 C ATOM 1364 O ALA A 88 -6.016 2.113 -8.758 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.711 4.488 -7.886 1.00 0.00 C ATOM 0 H ALA A 88 -5.326 5.508 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.562 4.560 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.198 3.924 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.524 5.553 -8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.337 4.180 -6.909 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.109 2.160 -6.702 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.342 0.748 -6.488 1.00 0.00 C ATOM 1373 C GLY A 89 -6.802 0.395 -6.663 1.00 0.00 C ATOM 1374 O GLY A 89 -7.144 -0.621 -7.265 1.00 0.00 O ATOM 0 H GLY A 89 -4.654 2.646 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.740 0.169 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.018 0.473 -5.485 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.661 1.246 -6.125 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.100 1.052 -6.205 1.00 0.00 C ATOM 1380 C ASP A 90 -9.699 1.842 -7.362 1.00 0.00 C ATOM 1381 O ASP A 90 -10.767 2.435 -7.229 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.782 1.433 -4.888 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.279 1.192 -4.925 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.700 0.038 -4.696 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.030 2.157 -5.180 1.00 0.00 O ATOM 0 H ASP A 90 -7.382 2.088 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.278 -0.008 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.343 0.856 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.591 2.484 -4.673 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.972 1.878 -8.473 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.392 2.608 -9.680 1.00 0.00 C ATOM 1392 C LYS A 91 -10.918 2.659 -9.876 1.00 0.00 C ATOM 1393 O LYS A 91 -11.429 3.620 -10.449 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.747 2.021 -10.954 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.010 0.704 -10.768 1.00 0.00 C ATOM 1396 CD LYS A 91 -8.941 -0.379 -10.261 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.678 -1.056 -11.406 1.00 0.00 C ATOM 1398 NZ LYS A 91 -10.441 -2.249 -10.948 1.00 0.00 N ATOM 0 H LYS A 91 -8.074 1.404 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.043 3.628 -9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.527 1.878 -11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.049 2.754 -11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.569 0.394 -11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.189 0.840 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.369 -1.122 -9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.662 0.054 -9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.361 -0.344 -11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.962 -1.355 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.956 -2.661 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.783 -2.954 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.119 -1.966 -10.211 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.648 1.647 -9.410 1.00 0.00 N ATOM 1413 CA ASP A 92 -13.099 1.642 -9.563 1.00 0.00 C ATOM 1414 C ASP A 92 -13.725 2.880 -8.918 1.00 0.00 C ATOM 1415 O ASP A 92 -14.862 3.240 -9.221 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.702 0.378 -8.947 1.00 0.00 C ATOM 1417 CG ASP A 92 -13.271 -0.882 -9.669 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -13.884 -1.212 -10.706 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -12.320 -1.539 -9.198 1.00 0.00 O ATOM 0 H ASP A 92 -11.265 0.832 -8.931 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.319 1.658 -10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.407 0.312 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.789 0.451 -8.968 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.976 3.527 -8.024 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.474 4.719 -7.359 1.00 0.00 C ATOM 1426 C GLY A 93 -14.491 4.402 -6.282 1.00 0.00 C ATOM 1427 O GLY A 93 -15.655 4.789 -6.386 1.00 0.00 O ATOM 0 H GLY A 93 -12.035 3.246 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.638 5.260 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.926 5.381 -8.098 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.054 3.698 -5.243 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.942 3.325 -4.149 1.00 0.00 C ATOM 1433 C ASP A 94 -14.564 4.021 -2.840 1.00 0.00 C ATOM 1434 O ASP A 94 -15.292 3.925 -1.852 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.923 1.808 -3.951 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.380 1.059 -5.188 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -14.525 0.750 -6.044 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -16.593 0.780 -5.299 1.00 0.00 O ATOM 0 H ASP A 94 -13.092 3.375 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.947 3.650 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.913 1.491 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.567 1.546 -3.112 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.429 4.721 -2.825 1.00 0.00 N ATOM 1444 CA GLY A 95 -13.006 5.399 -1.610 1.00 0.00 C ATOM 1445 C GLY A 95 -12.187 4.509 -0.691 1.00 0.00 C ATOM 1446 O GLY A 95 -11.645 4.966 0.315 1.00 0.00 O ATOM 0 H GLY A 95 -12.802 4.830 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.418 6.277 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.886 5.755 -1.074 1.00 0.00 H new ATOM 1450 N LYS A 96 -12.115 3.237 -1.039 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.376 2.251 -0.260 1.00 0.00 C ATOM 1452 C LYS A 96 -10.776 1.194 -1.179 1.00 0.00 C ATOM 1453 O LYS A 96 -11.285 0.952 -2.271 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.300 1.574 0.762 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.724 1.379 0.270 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.720 2.138 1.135 1.00 0.00 C ATOM 1457 CE LYS A 96 -14.423 3.629 1.162 1.00 0.00 C ATOM 1458 NZ LYS A 96 -15.440 4.382 1.949 1.00 0.00 N ATOM 0 H LYS A 96 -12.567 2.855 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.574 2.765 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.882 0.603 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.319 2.173 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.803 1.719 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.970 0.317 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.729 1.975 0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.694 1.744 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.435 3.795 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.396 4.013 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.060 5.316 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.301 4.502 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.670 3.854 2.815 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.698 0.559 -0.734 1.00 0.00 N ATOM 1473 CA ILE A 97 -9.050 -0.476 -1.529 1.00 0.00 C ATOM 1474 C ILE A 97 -9.383 -1.858 -0.980 1.00 0.00 C ATOM 1475 O ILE A 97 -8.958 -2.221 0.118 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.512 -0.293 -1.565 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.142 1.003 -2.284 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.834 -1.479 -2.246 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.648 1.225 -2.383 1.00 0.00 C ATOM 0 H ILE A 97 -9.257 0.741 0.167 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.430 -0.386 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.159 -0.239 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.568 0.988 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.594 1.844 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.755 -1.324 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.064 -2.393 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.198 -1.568 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.453 2.162 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.220 1.271 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.194 0.402 -2.935 1.00 0.00 H new ATOM 1491 N GLY A 98 -10.143 -2.625 -1.751 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.507 -3.959 -1.330 1.00 0.00 C ATOM 1493 C GLY A 98 -9.484 -4.981 -1.763 1.00 0.00 C ATOM 1494 O GLY A 98 -8.459 -4.631 -2.346 1.00 0.00 O ATOM 0 H GLY A 98 -10.513 -2.345 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.608 -3.983 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.480 -4.219 -1.747 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.766 -6.241 -1.488 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.855 -7.318 -1.850 1.00 0.00 C ATOM 1500 C VAL A 99 -8.731 -7.456 -3.366 1.00 0.00 C ATOM 1501 O VAL A 99 -7.676 -7.825 -3.877 1.00 0.00 O ATOM 1502 CB VAL A 99 -9.310 -8.665 -1.257 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.629 -9.102 -1.869 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -8.240 -9.728 -1.461 1.00 0.00 C ATOM 0 H VAL A 99 -10.617 -6.547 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.882 -7.057 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.461 -8.535 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.933 -10.055 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.392 -8.351 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.511 -9.214 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.580 -10.672 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.053 -9.857 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.320 -9.417 -0.967 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.807 -7.145 -4.080 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.806 -7.256 -5.538 1.00 0.00 C ATOM 1516 C GLU A 100 -8.964 -6.153 -6.157 1.00 0.00 C ATOM 1517 O GLU A 100 -8.050 -6.406 -6.940 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.223 -7.176 -6.128 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.344 -7.337 -5.126 1.00 0.00 C ATOM 1520 CD GLU A 100 -12.289 -8.659 -4.388 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -11.662 -9.605 -4.910 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.873 -8.750 -3.287 1.00 0.00 O ATOM 0 H GLU A 100 -10.686 -6.816 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.384 -8.233 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.338 -6.214 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.326 -7.946 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.299 -6.521 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.301 -7.254 -5.642 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.290 -4.921 -5.787 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.591 -3.753 -6.297 1.00 0.00 C ATOM 1531 C GLU A 101 -7.151 -3.672 -5.793 1.00 0.00 C ATOM 1532 O GLU A 101 -6.291 -3.090 -6.457 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.354 -2.496 -5.908 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.378 -2.067 -6.946 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.247 -3.216 -7.416 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -10.851 -3.905 -8.378 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -12.325 -3.427 -6.821 1.00 0.00 O ATOM 0 H GLU A 101 -10.040 -4.706 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.545 -3.841 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.860 -2.666 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.645 -1.683 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.011 -1.286 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.862 -1.633 -7.802 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.882 -4.254 -4.626 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.530 -4.226 -4.069 1.00 0.00 C ATOM 1546 C PHE A 102 -4.533 -4.734 -5.102 1.00 0.00 C ATOM 1547 O PHE A 102 -3.366 -4.344 -5.102 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.441 -5.075 -2.801 1.00 0.00 C ATOM 1549 CG PHE A 102 -4.251 -4.754 -1.948 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -4.318 -3.778 -0.968 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -3.069 -5.437 -2.128 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -3.218 -3.490 -0.184 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.962 -5.157 -1.348 1.00 0.00 C ATOM 1554 CZ PHE A 102 -2.037 -4.182 -0.374 1.00 0.00 C ATOM 0 H PHE A 102 -7.570 -4.744 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.290 -3.195 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.348 -4.932 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.404 -6.128 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.240 -3.236 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.006 -6.201 -2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.281 -2.725 0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.041 -5.700 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.175 -3.960 0.238 1.00 0.00 H new ATOM 1564 N SER A 103 -5.009 -5.610 -5.981 1.00 0.00 N ATOM 1565 CA SER A 103 -4.175 -6.163 -7.036 1.00 0.00 C ATOM 1566 C SER A 103 -3.999 -5.143 -8.152 1.00 0.00 C ATOM 1567 O SER A 103 -2.929 -5.042 -8.753 1.00 0.00 O ATOM 1568 CB SER A 103 -4.795 -7.447 -7.591 1.00 0.00 C ATOM 1569 OG SER A 103 -4.013 -7.976 -8.648 1.00 0.00 O ATOM 0 H SER A 103 -5.970 -5.951 -5.981 1.00 0.00 H new ATOM 0 HA SER A 103 -3.198 -6.402 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.883 -8.186 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.804 -7.242 -7.948 1.00 0.00 H new ATOM 0 HG SER A 103 -4.430 -8.797 -8.984 1.00 0.00 H new ATOM 1575 N THR A 104 -5.056 -4.380 -8.421 1.00 0.00 N ATOM 1576 CA THR A 104 -5.007 -3.368 -9.465 1.00 0.00 C ATOM 1577 C THR A 104 -3.933 -2.335 -9.164 1.00 0.00 C ATOM 1578 O THR A 104 -3.305 -1.792 -10.073 1.00 0.00 O ATOM 1579 CB THR A 104 -6.361 -2.652 -9.655 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.386 -3.613 -9.942 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.260 -1.658 -10.801 1.00 0.00 C ATOM 0 H THR A 104 -5.949 -4.445 -7.933 1.00 0.00 H new ATOM 0 HA THR A 104 -4.768 -3.891 -10.391 1.00 0.00 H new ATOM 0 HB THR A 104 -6.614 -2.121 -8.737 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.783 -3.417 -10.816 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.218 -1.155 -10.932 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.490 -0.920 -10.576 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.999 -2.186 -11.718 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.719 -2.071 -7.879 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.714 -1.104 -7.461 1.00 0.00 C ATOM 1591 C LEU A 105 -1.337 -1.499 -7.983 1.00 0.00 C ATOM 1592 O LEU A 105 -0.525 -0.640 -8.327 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.689 -0.987 -5.941 1.00 0.00 C ATOM 1594 CG LEU A 105 -2.304 0.389 -5.401 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.084 0.331 -3.900 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -1.073 0.909 -6.119 1.00 0.00 C ATOM 0 H LEU A 105 -4.227 -2.512 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.977 -0.134 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.675 -1.248 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.988 -1.723 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.123 1.083 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.811 1.321 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.001 0.003 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.282 -0.373 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.809 1.890 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.243 0.220 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.281 0.991 -7.186 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.080 -2.802 -8.040 1.00 0.00 N ATOM 1609 CA VAL A 106 0.198 -3.299 -8.532 1.00 0.00 C ATOM 1610 C VAL A 106 0.378 -2.920 -9.996 1.00 0.00 C ATOM 1611 O VAL A 106 1.487 -2.633 -10.446 1.00 0.00 O ATOM 1612 CB VAL A 106 0.309 -4.828 -8.386 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.649 -5.321 -8.910 1.00 0.00 C ATOM 1614 CG2 VAL A 106 0.113 -5.239 -6.935 1.00 0.00 C ATOM 0 H VAL A 106 -1.736 -3.528 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 106 0.981 -2.840 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.478 -5.289 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.708 -6.404 -8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.746 -5.060 -9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.455 -4.854 -8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.195 -6.323 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.877 -4.768 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.873 -4.922 -6.597 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.729 -2.924 -10.732 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.714 -2.567 -12.142 1.00 0.00 C ATOM 1626 C ALA A 107 -0.711 -1.052 -12.310 1.00 0.00 C ATOM 1627 O ALA A 107 -0.225 -0.526 -13.311 1.00 0.00 O ATOM 1628 CB ALA A 107 -1.910 -3.183 -12.850 1.00 0.00 C ATOM 0 H ALA A 107 -1.650 -3.172 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 107 0.197 -2.960 -12.593 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.889 -2.909 -13.905 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.869 -4.268 -12.756 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.830 -2.814 -12.398 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.260 -0.357 -11.317 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.324 1.100 -11.339 1.00 0.00 C ATOM 1636 C GLU A 108 0.066 1.708 -11.232 1.00 0.00 C ATOM 1637 O GLU A 108 0.582 2.293 -12.185 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.183 1.607 -10.187 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.649 1.274 -10.353 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.394 2.310 -11.172 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.870 3.303 -10.582 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.502 2.130 -12.403 1.00 0.00 O ATOM 0 H GLU A 108 -1.668 -0.782 -10.485 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.768 1.400 -12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.821 1.175 -9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.069 2.688 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.744 0.300 -10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.113 1.192 -9.370 1.00 0.00 H new ATOM 1649 N SER A 109 0.664 1.559 -10.056 1.00 0.00 N ATOM 1650 CA SER A 109 1.986 2.083 -9.788 1.00 0.00 C ATOM 1651 C SER A 109 3.011 1.522 -10.768 1.00 0.00 C ATOM 1652 O SER A 109 3.567 0.441 -10.486 1.00 0.00 O ATOM 1653 CB SER A 109 2.376 1.735 -8.356 1.00 0.00 C ATOM 1654 OG SER A 109 1.381 0.945 -7.728 1.00 0.00 O ATOM 1655 OXT SER A 109 3.249 2.170 -11.809 1.00 0.00 O ATOM 0 H SER A 109 0.242 1.071 -9.266 1.00 0.00 H new ATOM 0 HA SER A 109 1.970 3.166 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.324 1.197 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.529 2.651 -7.786 1.00 0.00 H new ATOM 0 HG SER A 109 1.798 0.158 -7.318 1.00 0.00 H new