USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 39 LYS NZ :NH3+ -146:sc= 0.0298 (180deg=0) USER MOD Set 1.2: A 41 TYR OH : rot -106:sc= 0.779 USER MOD Set 2.1: A 10 GLN : amide:sc= -4.88! C(o=-11!,f=-13!) USER MOD Set 2.2: A 84 HIS : no HE2:sc= -6.21! C(o=-11!,f=-7.2!) USER MOD Single : A 1 MET CE :methyl -150:sc= -0.491 (180deg=-2.12!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 130:sc= -4.01! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -120:sc= 0.974 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 118:sc= 0.591 USER MOD Single : A 50 THR OG1 : rot 140:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.41) USER MOD Single : A 64 SER OG : rot -19:sc= 0.606! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A 83 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 89 ASN : amide:sc= -0.0181 K(o=-0.018,f=-1.1) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.060 -18.087 0.924 1.00 0.00 N ATOM 2 CA MET A 1 8.000 -16.666 1.361 1.00 0.00 C ATOM 3 C MET A 1 9.074 -15.830 0.672 1.00 0.00 C ATOM 4 O MET A 1 10.226 -15.803 1.106 1.00 0.00 O ATOM 5 CB MET A 1 8.185 -16.612 2.879 1.00 0.00 C ATOM 6 CG MET A 1 7.996 -15.223 3.466 1.00 0.00 C ATOM 7 SD MET A 1 9.411 -14.684 4.443 1.00 0.00 S ATOM 8 CE MET A 1 9.747 -16.161 5.398 1.00 0.00 C ATOM 0 H1 MET A 1 7.318 -18.631 1.409 1.00 0.00 H new ATOM 0 H2 MET A 1 7.912 -18.141 -0.104 1.00 0.00 H new ATOM 0 H3 MET A 1 8.991 -18.484 1.161 1.00 0.00 H new ATOM 0 HA MET A 1 7.031 -16.250 1.085 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.476 -17.295 3.347 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.184 -16.970 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.825 -14.512 2.658 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.103 -15.215 4.092 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.177 -15.882 6.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.818 -16.708 5.561 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.450 -16.793 4.856 1.00 0.00 H new ATOM 18 N LEU A 2 8.689 -15.145 -0.399 1.00 0.00 N ATOM 19 CA LEU A 2 9.620 -14.304 -1.141 1.00 0.00 C ATOM 20 C LEU A 2 9.166 -12.848 -1.119 1.00 0.00 C ATOM 21 O LEU A 2 7.972 -12.559 -1.189 1.00 0.00 O ATOM 22 CB LEU A 2 9.752 -14.796 -2.583 1.00 0.00 C ATOM 23 CG LEU A 2 8.461 -14.769 -3.402 1.00 0.00 C ATOM 24 CD1 LEU A 2 8.476 -13.607 -4.384 1.00 0.00 C ATOM 25 CD2 LEU A 2 8.272 -16.087 -4.137 1.00 0.00 C ATOM 0 H LEU A 2 7.740 -15.156 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 2 10.596 -14.368 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.498 -14.185 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.132 -15.817 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 2 7.622 -14.630 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.549 -13.604 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.567 -12.669 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.323 -13.715 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.349 -16.052 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.115 -16.253 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.217 -16.902 -3.415 1.00 0.00 H new ATOM 37 N THR A 3 10.126 -11.936 -1.014 1.00 0.00 N ATOM 38 CA THR A 3 9.825 -10.510 -0.971 1.00 0.00 C ATOM 39 C THR A 3 9.407 -9.981 -2.339 1.00 0.00 C ATOM 40 O THR A 3 10.235 -9.836 -3.240 1.00 0.00 O ATOM 41 CB THR A 3 11.033 -9.696 -0.471 1.00 0.00 C ATOM 42 OG1 THR A 3 11.605 -10.280 0.707 1.00 0.00 O ATOM 43 CG2 THR A 3 10.627 -8.266 -0.153 1.00 0.00 C ATOM 0 H THR A 3 11.120 -12.159 -0.957 1.00 0.00 H new ATOM 0 HA THR A 3 8.995 -10.391 -0.274 1.00 0.00 H new ATOM 0 HB THR A 3 11.773 -9.702 -1.272 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.370 -9.743 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.497 -7.710 0.198 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.232 -7.792 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.861 -8.269 0.622 1.00 0.00 H new ATOM 51 N PRO A 4 8.112 -9.674 -2.505 1.00 0.00 N ATOM 52 CA PRO A 4 7.577 -9.145 -3.764 1.00 0.00 C ATOM 53 C PRO A 4 8.153 -7.772 -4.096 1.00 0.00 C ATOM 54 O PRO A 4 8.288 -6.918 -3.219 1.00 0.00 O ATOM 55 CB PRO A 4 6.070 -9.044 -3.505 1.00 0.00 C ATOM 56 CG PRO A 4 5.936 -8.991 -2.022 1.00 0.00 C ATOM 57 CD PRO A 4 7.070 -9.811 -1.474 1.00 0.00 C ATOM 0 HA PRO A 4 7.830 -9.780 -4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.648 -8.154 -3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.540 -9.902 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.988 -7.963 -1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.974 -9.392 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.408 -9.436 -0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.781 -10.852 -1.329 1.00 0.00 H new ATOM 65 N ALA A 5 8.493 -7.566 -5.363 1.00 0.00 N ATOM 66 CA ALA A 5 9.057 -6.296 -5.804 1.00 0.00 C ATOM 67 C ALA A 5 7.980 -5.220 -5.906 1.00 0.00 C ATOM 68 O ALA A 5 7.766 -4.643 -6.972 1.00 0.00 O ATOM 69 CB ALA A 5 9.769 -6.455 -7.138 1.00 0.00 C ATOM 0 H ALA A 5 8.388 -8.261 -6.102 1.00 0.00 H new ATOM 0 HA ALA A 5 9.785 -5.981 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.182 -5.495 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.576 -7.181 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.061 -6.804 -7.889 1.00 0.00 H new ATOM 75 N PHE A 6 7.307 -4.953 -4.792 1.00 0.00 N ATOM 76 CA PHE A 6 6.256 -3.947 -4.758 1.00 0.00 C ATOM 77 C PHE A 6 6.810 -2.568 -5.108 1.00 0.00 C ATOM 78 O PHE A 6 8.020 -2.347 -5.070 1.00 0.00 O ATOM 79 CB PHE A 6 5.599 -3.920 -3.377 1.00 0.00 C ATOM 80 CG PHE A 6 6.457 -3.306 -2.308 1.00 0.00 C ATOM 81 CD1 PHE A 6 7.422 -4.059 -1.658 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.295 -1.977 -1.948 1.00 0.00 C ATOM 83 CE1 PHE A 6 8.210 -3.499 -0.670 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.080 -1.411 -0.960 1.00 0.00 C ATOM 85 CZ PHE A 6 8.038 -2.173 -0.321 1.00 0.00 C ATOM 0 H PHE A 6 7.472 -5.421 -3.901 1.00 0.00 H new ATOM 0 HA PHE A 6 5.505 -4.210 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.663 -3.365 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.346 -4.939 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.560 -5.096 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.547 -1.377 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.959 -4.097 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.944 -0.375 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.652 -1.733 0.451 1.00 0.00 H new ATOM 95 N ASP A 7 5.915 -1.645 -5.448 1.00 0.00 N ATOM 96 CA ASP A 7 6.312 -0.288 -5.805 1.00 0.00 C ATOM 97 C ASP A 7 5.288 0.722 -5.302 1.00 0.00 C ATOM 98 O ASP A 7 4.083 0.472 -5.351 1.00 0.00 O ATOM 99 CB ASP A 7 6.468 -0.159 -7.322 1.00 0.00 C ATOM 100 CG ASP A 7 7.583 0.791 -7.711 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.763 0.411 -7.568 1.00 0.00 O ATOM 102 OD2 ASP A 7 7.275 1.916 -8.159 1.00 0.00 O ATOM 0 H ASP A 7 4.910 -1.813 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 7 7.271 -0.079 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.667 -1.142 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.530 0.191 -7.752 1.00 0.00 H new ATOM 107 N LEU A 8 5.769 1.860 -4.812 1.00 0.00 N ATOM 108 CA LEU A 8 4.883 2.895 -4.297 1.00 0.00 C ATOM 109 C LEU A 8 4.977 4.172 -5.119 1.00 0.00 C ATOM 110 O LEU A 8 6.063 4.592 -5.523 1.00 0.00 O ATOM 111 CB LEU A 8 5.211 3.200 -2.835 1.00 0.00 C ATOM 112 CG LEU A 8 5.743 2.014 -2.034 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.630 2.493 -0.895 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.589 1.178 -1.504 1.00 0.00 C ATOM 0 H LEU A 8 6.762 2.087 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 8 3.863 2.517 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.949 4.002 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.312 3.575 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 8 6.347 1.390 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.000 1.634 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.473 3.052 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.054 3.137 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.982 0.335 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.962 1.792 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.995 0.806 -2.339 1.00 0.00 H new ATOM 126 N SER A 9 3.827 4.790 -5.347 1.00 0.00 N ATOM 127 CA SER A 9 3.749 6.029 -6.102 1.00 0.00 C ATOM 128 C SER A 9 2.677 6.924 -5.503 1.00 0.00 C ATOM 129 O SER A 9 1.569 6.471 -5.221 1.00 0.00 O ATOM 130 CB SER A 9 3.441 5.746 -7.573 1.00 0.00 C ATOM 131 OG SER A 9 2.803 4.492 -7.727 1.00 0.00 O ATOM 0 H SER A 9 2.926 4.447 -5.015 1.00 0.00 H new ATOM 0 HA SER A 9 4.712 6.536 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.803 6.534 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.365 5.761 -8.151 1.00 0.00 H new ATOM 0 HG SER A 9 2.615 4.335 -8.676 1.00 0.00 H new ATOM 137 N GLN A 10 3.013 8.186 -5.291 1.00 0.00 N ATOM 138 CA GLN A 10 2.069 9.121 -4.700 1.00 0.00 C ATOM 139 C GLN A 10 1.975 10.409 -5.506 1.00 0.00 C ATOM 140 O GLN A 10 2.974 10.925 -6.007 1.00 0.00 O ATOM 141 CB GLN A 10 2.475 9.430 -3.259 1.00 0.00 C ATOM 142 CG GLN A 10 3.524 10.522 -3.141 1.00 0.00 C ATOM 143 CD GLN A 10 4.765 10.231 -3.961 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.166 9.078 -4.114 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.381 11.280 -4.495 1.00 0.00 N ATOM 0 H GLN A 10 3.924 8.584 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 10 1.084 8.653 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.589 9.727 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.857 8.520 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.094 11.470 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.804 10.640 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.014 12.219 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.221 11.146 -5.058 1.00 0.00 H new ATOM 154 N ASP A 11 0.758 10.926 -5.608 1.00 0.00 N ATOM 155 CA ASP A 11 0.495 12.159 -6.331 1.00 0.00 C ATOM 156 C ASP A 11 0.239 13.298 -5.351 1.00 0.00 C ATOM 157 O ASP A 11 -0.070 13.066 -4.183 1.00 0.00 O ATOM 158 CB ASP A 11 -0.707 11.988 -7.263 1.00 0.00 C ATOM 159 CG ASP A 11 -0.293 11.712 -8.696 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.773 11.093 -8.898 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.035 12.115 -9.615 1.00 0.00 O ATOM 0 H ASP A 11 -0.072 10.502 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 11 1.371 12.400 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.329 11.168 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.319 12.890 -7.232 1.00 0.00 H new ATOM 166 N PRO A 12 0.373 14.546 -5.816 1.00 0.00 N ATOM 167 CA PRO A 12 0.165 15.737 -4.980 1.00 0.00 C ATOM 168 C PRO A 12 -1.236 15.825 -4.368 1.00 0.00 C ATOM 169 O PRO A 12 -1.516 16.739 -3.592 1.00 0.00 O ATOM 170 CB PRO A 12 0.385 16.902 -5.952 1.00 0.00 C ATOM 171 CG PRO A 12 1.185 16.327 -7.069 1.00 0.00 C ATOM 172 CD PRO A 12 0.749 14.898 -7.194 1.00 0.00 C ATOM 0 HA PRO A 12 0.838 15.729 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.564 17.301 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.914 17.724 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.009 16.872 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.253 16.393 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.090 14.791 -7.881 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.551 14.262 -7.569 1.00 0.00 H new ATOM 180 N ASP A 13 -2.110 14.870 -4.690 1.00 0.00 N ATOM 181 CA ASP A 13 -3.460 14.855 -4.137 1.00 0.00 C ATOM 182 C ASP A 13 -3.855 13.442 -3.712 1.00 0.00 C ATOM 183 O ASP A 13 -5.021 13.186 -3.410 1.00 0.00 O ATOM 184 CB ASP A 13 -4.464 15.377 -5.162 1.00 0.00 C ATOM 185 CG ASP A 13 -4.140 16.785 -5.626 1.00 0.00 C ATOM 186 OD1 ASP A 13 -3.873 17.647 -4.762 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.154 17.025 -6.851 1.00 0.00 O ATOM 0 H ASP A 13 -1.906 14.101 -5.328 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.470 15.504 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.480 14.709 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.464 15.362 -4.727 1.00 0.00 H new ATOM 192 N PHE A 14 -2.876 12.537 -3.682 1.00 0.00 N ATOM 193 CA PHE A 14 -3.127 11.146 -3.293 1.00 0.00 C ATOM 194 C PHE A 14 -1.835 10.357 -3.105 1.00 0.00 C ATOM 195 O PHE A 14 -0.747 10.815 -3.444 1.00 0.00 O ATOM 196 CB PHE A 14 -3.956 10.415 -4.361 1.00 0.00 C ATOM 197 CG PHE A 14 -5.119 11.186 -4.911 1.00 0.00 C ATOM 198 CD1 PHE A 14 -4.938 12.113 -5.926 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.395 10.977 -4.419 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.011 12.819 -6.436 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.473 11.678 -4.926 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.280 12.601 -5.935 1.00 0.00 C ATOM 0 H PHE A 14 -1.905 12.739 -3.921 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.668 11.196 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.297 10.146 -5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.328 9.484 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.948 12.285 -6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.551 10.257 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.858 13.540 -7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.464 11.504 -4.534 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.120 13.152 -6.332 1.00 0.00 H new ATOM 212 N LEU A 15 -1.997 9.143 -2.589 1.00 0.00 N ATOM 213 CA LEU A 15 -0.889 8.219 -2.377 1.00 0.00 C ATOM 214 C LEU A 15 -1.323 6.830 -2.810 1.00 0.00 C ATOM 215 O LEU A 15 -2.184 6.219 -2.176 1.00 0.00 O ATOM 216 CB LEU A 15 -0.454 8.187 -0.910 1.00 0.00 C ATOM 217 CG LEU A 15 0.423 6.995 -0.520 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.431 5.833 -0.036 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.291 6.564 -1.695 1.00 0.00 C ATOM 0 H LEU A 15 -2.903 8.771 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.037 8.557 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.089 9.106 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.345 8.183 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 15 1.075 7.304 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.213 4.997 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.009 6.144 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.110 5.525 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.908 5.715 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.654 6.276 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.933 7.392 -1.996 1.00 0.00 H new ATOM 231 N THR A 16 -0.747 6.330 -3.896 1.00 0.00 N ATOM 232 CA THR A 16 -1.106 5.017 -4.399 1.00 0.00 C ATOM 233 C THR A 16 -0.023 3.993 -4.105 1.00 0.00 C ATOM 234 O THR A 16 1.159 4.325 -4.011 1.00 0.00 O ATOM 235 CB THR A 16 -1.364 5.052 -5.916 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.401 5.982 -6.248 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.765 3.678 -6.427 1.00 0.00 C ATOM 0 H THR A 16 -0.033 6.814 -4.441 1.00 0.00 H new ATOM 0 HA THR A 16 -2.021 4.724 -3.885 1.00 0.00 H new ATOM 0 HB THR A 16 -0.434 5.366 -6.389 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.093 6.572 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.942 3.727 -7.501 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.965 2.966 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.676 3.354 -5.923 1.00 0.00 H new ATOM 245 N ILE A 17 -0.441 2.746 -3.962 1.00 0.00 N ATOM 246 CA ILE A 17 0.473 1.652 -3.680 1.00 0.00 C ATOM 247 C ILE A 17 0.312 0.554 -4.729 1.00 0.00 C ATOM 248 O ILE A 17 -0.746 0.429 -5.345 1.00 0.00 O ATOM 249 CB ILE A 17 0.223 1.094 -2.265 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.128 2.242 -1.308 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.440 0.331 -1.760 1.00 0.00 C ATOM 252 CD1 ILE A 17 0.124 1.914 0.148 1.00 0.00 C ATOM 0 H ILE A 17 -1.419 2.465 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 17 1.496 2.026 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.615 0.398 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.455 3.122 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.178 2.503 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.239 -0.053 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.653 -0.500 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.300 1.000 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.146 2.770 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.479 1.053 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.179 1.682 0.291 1.00 0.00 H new ATOM 264 N ALA A 18 1.362 -0.234 -4.942 1.00 0.00 N ATOM 265 CA ALA A 18 1.311 -1.304 -5.933 1.00 0.00 C ATOM 266 C ALA A 18 2.012 -2.561 -5.435 1.00 0.00 C ATOM 267 O ALA A 18 3.212 -2.550 -5.160 1.00 0.00 O ATOM 268 CB ALA A 18 1.924 -0.852 -7.249 1.00 0.00 C ATOM 0 H ALA A 18 2.250 -0.153 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 18 0.261 -1.544 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.875 -1.666 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.372 0.007 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.965 -0.572 -7.088 1.00 0.00 H new ATOM 274 N ILE A 19 1.255 -3.647 -5.330 1.00 0.00 N ATOM 275 CA ILE A 19 1.801 -4.918 -4.874 1.00 0.00 C ATOM 276 C ILE A 19 1.510 -6.031 -5.875 1.00 0.00 C ATOM 277 O ILE A 19 0.365 -6.233 -6.279 1.00 0.00 O ATOM 278 CB ILE A 19 1.233 -5.314 -3.499 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.980 -4.067 -2.651 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.187 -6.261 -2.789 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.375 -4.368 -1.297 1.00 0.00 C ATOM 0 H ILE A 19 0.260 -3.672 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 19 2.879 -4.786 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 19 0.283 -5.828 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.922 -3.537 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.316 -3.396 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.774 -6.533 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.322 -7.160 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.150 -5.770 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.223 -3.437 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.583 -4.871 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.048 -5.014 -0.733 1.00 0.00 H new ATOM 293 N ARG A 20 2.551 -6.757 -6.265 1.00 0.00 N ATOM 294 CA ARG A 20 2.406 -7.856 -7.211 1.00 0.00 C ATOM 295 C ARG A 20 2.400 -9.192 -6.475 1.00 0.00 C ATOM 296 O ARG A 20 3.350 -9.521 -5.764 1.00 0.00 O ATOM 297 CB ARG A 20 3.539 -7.829 -8.236 1.00 0.00 C ATOM 298 CG ARG A 20 3.929 -6.428 -8.676 1.00 0.00 C ATOM 299 CD ARG A 20 5.296 -6.416 -9.341 1.00 0.00 C ATOM 300 NE ARG A 20 5.198 -6.218 -10.785 1.00 0.00 N ATOM 301 CZ ARG A 20 6.067 -6.716 -11.662 1.00 0.00 C ATOM 302 NH1 ARG A 20 7.103 -7.433 -11.246 1.00 0.00 N ATOM 303 NH2 ARG A 20 5.900 -6.495 -12.959 1.00 0.00 N ATOM 0 H ARG A 20 3.506 -6.604 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 20 1.457 -7.738 -7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.413 -8.324 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.239 -8.405 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.182 -6.042 -9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.937 -5.763 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.904 -5.623 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.807 -7.357 -9.138 1.00 0.00 H new ATOM 0 HE ARG A 20 4.418 -5.666 -11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.237 -7.605 -10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.766 -7.812 -11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.106 -5.944 -13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.566 -6.876 -13.631 1.00 0.00 H new ATOM 317 N VAL A 21 1.325 -9.954 -6.642 1.00 0.00 N ATOM 318 CA VAL A 21 1.206 -11.247 -5.981 1.00 0.00 C ATOM 319 C VAL A 21 0.388 -12.231 -6.810 1.00 0.00 C ATOM 320 O VAL A 21 -0.672 -11.889 -7.335 1.00 0.00 O ATOM 321 CB VAL A 21 0.550 -11.101 -4.594 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.429 -10.269 -3.673 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.834 -10.487 -4.721 1.00 0.00 C ATOM 0 H VAL A 21 0.528 -9.700 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 21 2.219 -11.634 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 21 0.443 -12.093 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.950 -10.177 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.397 -10.756 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.571 -9.278 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.282 -10.392 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.754 -9.501 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.460 -11.127 -5.343 1.00 0.00 H new ATOM 333 N SER A 22 0.888 -13.458 -6.913 1.00 0.00 N ATOM 334 CA SER A 22 0.207 -14.504 -7.665 1.00 0.00 C ATOM 335 C SER A 22 -0.231 -15.628 -6.732 1.00 0.00 C ATOM 336 O SER A 22 -1.263 -16.264 -6.946 1.00 0.00 O ATOM 337 CB SER A 22 1.127 -15.062 -8.754 1.00 0.00 C ATOM 338 OG SER A 22 2.489 -14.844 -8.432 1.00 0.00 O ATOM 0 H SER A 22 1.765 -13.752 -6.483 1.00 0.00 H new ATOM 0 HA SER A 22 -0.675 -14.070 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.945 -16.130 -8.876 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.895 -14.588 -9.708 1.00 0.00 H new ATOM 0 HG SER A 22 3.056 -15.211 -9.142 1.00 0.00 H new ATOM 344 N TYR A 23 0.564 -15.859 -5.692 1.00 0.00 N ATOM 345 CA TYR A 23 0.272 -16.900 -4.714 1.00 0.00 C ATOM 346 C TYR A 23 -0.982 -16.562 -3.912 1.00 0.00 C ATOM 347 O TYR A 23 -1.496 -17.406 -3.176 1.00 0.00 O ATOM 348 CB TYR A 23 1.463 -17.089 -3.772 1.00 0.00 C ATOM 349 CG TYR A 23 2.735 -17.484 -4.487 1.00 0.00 C ATOM 350 CD1 TYR A 23 2.749 -17.662 -5.864 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.918 -17.682 -3.787 1.00 0.00 C ATOM 352 CE1 TYR A 23 3.908 -18.025 -6.525 1.00 0.00 C ATOM 353 CE2 TYR A 23 5.082 -18.043 -4.441 1.00 0.00 C ATOM 354 CZ TYR A 23 5.071 -18.214 -5.810 1.00 0.00 C ATOM 355 OH TYR A 23 6.225 -18.575 -6.465 1.00 0.00 O ATOM 0 H TYR A 23 1.420 -15.336 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 23 0.092 -17.830 -5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.635 -16.162 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.217 -17.853 -3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.840 -17.515 -6.428 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.929 -17.552 -2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.902 -18.160 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.995 -18.190 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 23 6.954 -18.667 -5.817 1.00 0.00 H new ATOM 365 N ALA A 24 -1.460 -15.324 -4.058 1.00 0.00 N ATOM 366 CA ALA A 24 -2.654 -14.853 -3.354 1.00 0.00 C ATOM 367 C ALA A 24 -3.564 -16.012 -2.959 1.00 0.00 C ATOM 368 O ALA A 24 -4.173 -16.657 -3.812 1.00 0.00 O ATOM 369 CB ALA A 24 -3.422 -13.850 -4.202 1.00 0.00 C ATOM 0 H ALA A 24 -1.033 -14.624 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.320 -14.359 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.305 -13.514 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.783 -12.994 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.729 -14.322 -5.135 1.00 0.00 H new ATOM 375 N ARG A 25 -3.641 -16.276 -1.658 1.00 0.00 N ATOM 376 CA ARG A 25 -4.465 -17.365 -1.148 1.00 0.00 C ATOM 377 C ARG A 25 -5.932 -16.955 -1.043 1.00 0.00 C ATOM 378 O ARG A 25 -6.767 -17.398 -1.831 1.00 0.00 O ATOM 379 CB ARG A 25 -3.952 -17.821 0.219 1.00 0.00 C ATOM 380 CG ARG A 25 -2.904 -18.920 0.137 1.00 0.00 C ATOM 381 CD ARG A 25 -3.403 -20.214 0.759 1.00 0.00 C ATOM 382 NE ARG A 25 -2.380 -20.856 1.578 1.00 0.00 N ATOM 383 CZ ARG A 25 -1.263 -21.381 1.085 1.00 0.00 C ATOM 384 NH1 ARG A 25 -1.032 -21.347 -0.221 1.00 0.00 N ATOM 385 NH2 ARG A 25 -0.379 -21.943 1.898 1.00 0.00 N ATOM 0 H ARG A 25 -3.143 -15.751 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.396 -18.192 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.529 -16.964 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.793 -18.176 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.640 -19.095 -0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.996 -18.597 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.281 -20.007 1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.718 -20.898 -0.029 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.531 -20.905 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.712 -20.918 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.174 -21.750 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.556 -21.972 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.478 -22.346 1.519 1.00 0.00 H new ATOM 399 N VAL A 26 -6.237 -16.112 -0.064 1.00 0.00 N ATOM 400 CA VAL A 26 -7.603 -15.647 0.148 1.00 0.00 C ATOM 401 C VAL A 26 -8.152 -14.946 -1.091 1.00 0.00 C ATOM 402 O VAL A 26 -7.435 -14.209 -1.768 1.00 0.00 O ATOM 403 CB VAL A 26 -7.687 -14.681 1.346 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.134 -15.337 2.602 1.00 0.00 C ATOM 405 CG2 VAL A 26 -6.947 -13.388 1.039 1.00 0.00 C ATOM 0 H VAL A 26 -5.557 -15.736 0.596 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.205 -16.532 0.356 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.735 -14.440 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.202 -14.639 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.712 -16.233 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.091 -15.610 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.016 -12.717 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.899 -13.608 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.395 -12.911 0.167 1.00 0.00 H new ATOM 415 N SER A 27 -9.431 -15.176 -1.376 1.00 0.00 N ATOM 416 CA SER A 27 -10.080 -14.559 -2.529 1.00 0.00 C ATOM 417 C SER A 27 -9.934 -13.044 -2.472 1.00 0.00 C ATOM 418 O SER A 27 -9.686 -12.392 -3.486 1.00 0.00 O ATOM 419 CB SER A 27 -11.561 -14.941 -2.573 1.00 0.00 C ATOM 420 OG SER A 27 -12.072 -14.854 -3.892 1.00 0.00 O ATOM 0 H SER A 27 -10.037 -15.784 -0.826 1.00 0.00 H new ATOM 0 HA SER A 27 -9.595 -14.925 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.689 -15.956 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.129 -14.283 -1.916 1.00 0.00 H new ATOM 0 HG SER A 27 -13.019 -15.105 -3.893 1.00 0.00 H new ATOM 426 N GLU A 28 -10.084 -12.494 -1.273 1.00 0.00 N ATOM 427 CA GLU A 28 -9.964 -11.058 -1.067 1.00 0.00 C ATOM 428 C GLU A 28 -8.857 -10.758 -0.063 1.00 0.00 C ATOM 429 O GLU A 28 -8.702 -11.466 0.932 1.00 0.00 O ATOM 430 CB GLU A 28 -11.293 -10.482 -0.574 1.00 0.00 C ATOM 431 CG GLU A 28 -11.185 -9.063 -0.038 1.00 0.00 C ATOM 432 CD GLU A 28 -11.840 -8.904 1.320 1.00 0.00 C ATOM 433 OE1 GLU A 28 -12.421 -9.891 1.817 1.00 0.00 O ATOM 434 OE2 GLU A 28 -11.773 -7.792 1.885 1.00 0.00 O ATOM 0 H GLU A 28 -10.290 -13.024 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.709 -10.590 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.011 -10.497 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.690 -11.127 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.134 -8.784 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.649 -8.375 -0.744 1.00 0.00 H new ATOM 441 N PHE A 29 -8.090 -9.706 -0.325 1.00 0.00 N ATOM 442 CA PHE A 29 -6.999 -9.321 0.563 1.00 0.00 C ATOM 443 C PHE A 29 -7.488 -8.353 1.633 1.00 0.00 C ATOM 444 O PHE A 29 -8.601 -7.831 1.550 1.00 0.00 O ATOM 445 CB PHE A 29 -5.855 -8.686 -0.230 1.00 0.00 C ATOM 446 CG PHE A 29 -5.636 -9.307 -1.581 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.939 -10.641 -1.803 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.126 -8.555 -2.627 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.737 -11.213 -3.045 1.00 0.00 C ATOM 450 CE2 PHE A 29 -4.921 -9.122 -3.870 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.228 -10.453 -4.080 1.00 0.00 C ATOM 0 H PHE A 29 -8.203 -9.106 -1.142 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.630 -10.223 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.060 -7.623 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.935 -8.766 0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.337 -11.240 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.886 -7.514 -2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.977 -12.254 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.521 -8.526 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.070 -10.898 -5.051 1.00 0.00 H new ATOM 461 N ASP A 30 -6.649 -8.113 2.633 1.00 0.00 N ATOM 462 CA ASP A 30 -6.993 -7.203 3.717 1.00 0.00 C ATOM 463 C ASP A 30 -6.054 -6.002 3.732 1.00 0.00 C ATOM 464 O ASP A 30 -4.852 -6.143 3.958 1.00 0.00 O ATOM 465 CB ASP A 30 -6.935 -7.927 5.063 1.00 0.00 C ATOM 466 CG ASP A 30 -7.602 -9.288 5.018 1.00 0.00 C ATOM 467 OD1 ASP A 30 -8.833 -9.353 5.221 1.00 0.00 O ATOM 468 OD2 ASP A 30 -6.894 -10.288 4.779 1.00 0.00 O ATOM 0 H ASP A 30 -5.725 -8.537 2.715 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.010 -6.848 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.894 -8.046 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.419 -7.314 5.823 1.00 0.00 H new ATOM 473 N VAL A 31 -6.611 -4.820 3.495 1.00 0.00 N ATOM 474 CA VAL A 31 -5.826 -3.592 3.488 1.00 0.00 C ATOM 475 C VAL A 31 -6.313 -2.637 4.568 1.00 0.00 C ATOM 476 O VAL A 31 -7.483 -2.253 4.591 1.00 0.00 O ATOM 477 CB VAL A 31 -5.894 -2.884 2.123 1.00 0.00 C ATOM 478 CG1 VAL A 31 -4.665 -2.014 1.913 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.036 -3.899 1.000 1.00 0.00 C ATOM 0 H VAL A 31 -7.604 -4.686 3.305 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.791 -3.873 3.685 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.774 -2.240 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.730 -1.521 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.613 -1.261 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.770 -2.635 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.082 -3.379 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.178 -4.571 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.950 -4.476 1.144 1.00 0.00 H new ATOM 489 N TYR A 32 -5.414 -2.264 5.471 1.00 0.00 N ATOM 490 CA TYR A 32 -5.762 -1.363 6.562 1.00 0.00 C ATOM 491 C TYR A 32 -4.930 -0.087 6.520 1.00 0.00 C ATOM 492 O TYR A 32 -3.709 -0.122 6.674 1.00 0.00 O ATOM 493 CB TYR A 32 -5.569 -2.073 7.903 1.00 0.00 C ATOM 494 CG TYR A 32 -6.306 -3.391 7.995 1.00 0.00 C ATOM 495 CD1 TYR A 32 -7.693 -3.435 7.944 1.00 0.00 C ATOM 496 CD2 TYR A 32 -5.614 -4.588 8.128 1.00 0.00 C ATOM 497 CE1 TYR A 32 -8.371 -4.637 8.024 1.00 0.00 C ATOM 498 CE2 TYR A 32 -6.286 -5.793 8.208 1.00 0.00 C ATOM 499 CZ TYR A 32 -7.664 -5.812 8.156 1.00 0.00 C ATOM 500 OH TYR A 32 -8.336 -7.010 8.234 1.00 0.00 O ATOM 0 H TYR A 32 -4.441 -2.571 5.469 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.809 -1.081 6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.505 -2.248 8.064 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.909 -1.418 8.705 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.251 -2.516 7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.535 -4.577 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.450 -4.655 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.734 -6.716 8.311 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.690 -7.742 8.323 1.00 0.00 H new ATOM 510 N PHE A 33 -5.603 1.042 6.320 1.00 0.00 N ATOM 511 CA PHE A 33 -4.934 2.334 6.268 1.00 0.00 C ATOM 512 C PHE A 33 -5.570 3.306 7.258 1.00 0.00 C ATOM 513 O PHE A 33 -6.739 3.667 7.125 1.00 0.00 O ATOM 514 CB PHE A 33 -4.987 2.914 4.854 1.00 0.00 C ATOM 515 CG PHE A 33 -6.378 3.196 4.366 1.00 0.00 C ATOM 516 CD1 PHE A 33 -6.992 4.407 4.639 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.074 2.248 3.632 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.271 4.670 4.189 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.353 2.504 3.179 1.00 0.00 C ATOM 520 CZ PHE A 33 -8.953 3.716 3.458 1.00 0.00 C ATOM 0 H PHE A 33 -6.614 1.086 6.191 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.890 2.186 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.409 3.838 4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.505 2.218 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.464 5.155 5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.610 1.298 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.737 5.619 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.884 1.757 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.954 3.918 3.105 1.00 0.00 H new ATOM 530 N GLU A 34 -4.792 3.719 8.252 1.00 0.00 N ATOM 531 CA GLU A 34 -5.278 4.645 9.269 1.00 0.00 C ATOM 532 C GLU A 34 -4.240 5.721 9.562 1.00 0.00 C ATOM 533 O GLU A 34 -3.165 5.432 10.087 1.00 0.00 O ATOM 534 CB GLU A 34 -5.615 3.885 10.555 1.00 0.00 C ATOM 535 CG GLU A 34 -4.502 2.958 11.017 1.00 0.00 C ATOM 536 CD GLU A 34 -4.321 2.966 12.522 1.00 0.00 C ATOM 537 OE1 GLU A 34 -5.304 2.688 13.239 1.00 0.00 O ATOM 538 OE2 GLU A 34 -3.195 3.248 12.982 1.00 0.00 O ATOM 0 H GLU A 34 -3.822 3.428 8.376 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.179 5.127 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.832 4.603 11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.522 3.301 10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.720 1.942 10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.567 3.254 10.541 1.00 0.00 H new ATOM 545 N GLY A 35 -4.565 6.965 9.222 1.00 0.00 N ATOM 546 CA GLY A 35 -3.644 8.059 9.459 1.00 0.00 C ATOM 547 C GLY A 35 -2.394 7.958 8.608 1.00 0.00 C ATOM 548 O GLY A 35 -2.216 8.721 7.661 1.00 0.00 O ATOM 0 H GLY A 35 -5.448 7.233 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.146 9.004 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.363 8.072 10.512 1.00 0.00 H new ATOM 552 N SER A 36 -1.527 7.010 8.948 1.00 0.00 N ATOM 553 CA SER A 36 -0.284 6.805 8.213 1.00 0.00 C ATOM 554 C SER A 36 0.210 5.376 8.390 1.00 0.00 C ATOM 555 O SER A 36 1.407 5.103 8.304 1.00 0.00 O ATOM 556 CB SER A 36 0.785 7.794 8.682 1.00 0.00 C ATOM 557 OG SER A 36 0.223 8.801 9.504 1.00 0.00 O ATOM 0 H SER A 36 -1.663 6.370 9.730 1.00 0.00 H new ATOM 0 HA SER A 36 -0.479 6.978 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.561 7.262 9.233 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.265 8.252 7.817 1.00 0.00 H new ATOM 0 HG SER A 36 0.379 9.679 9.098 1.00 0.00 H new ATOM 563 N ASP A 37 -0.726 4.464 8.633 1.00 0.00 N ATOM 564 CA ASP A 37 -0.395 3.058 8.819 1.00 0.00 C ATOM 565 C ASP A 37 -1.058 2.200 7.749 1.00 0.00 C ATOM 566 O ASP A 37 -2.260 1.943 7.803 1.00 0.00 O ATOM 567 CB ASP A 37 -0.835 2.588 10.208 1.00 0.00 C ATOM 568 CG ASP A 37 0.124 1.578 10.808 1.00 0.00 C ATOM 569 OD1 ASP A 37 1.144 2.002 11.391 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.146 0.363 10.695 1.00 0.00 O ATOM 0 H ASP A 37 -1.721 4.675 8.706 1.00 0.00 H new ATOM 0 HA ASP A 37 0.686 2.950 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.914 3.449 10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.829 2.146 10.141 1.00 0.00 H new ATOM 575 N PHE A 38 -0.264 1.756 6.778 1.00 0.00 N ATOM 576 CA PHE A 38 -0.770 0.923 5.692 1.00 0.00 C ATOM 577 C PHE A 38 -0.354 -0.531 5.887 1.00 0.00 C ATOM 578 O PHE A 38 0.832 -0.834 6.023 1.00 0.00 O ATOM 579 CB PHE A 38 -0.259 1.434 4.343 1.00 0.00 C ATOM 580 CG PHE A 38 -0.697 0.594 3.176 1.00 0.00 C ATOM 581 CD1 PHE A 38 -1.902 0.847 2.539 1.00 0.00 C ATOM 582 CD2 PHE A 38 0.094 -0.448 2.717 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.309 0.078 1.465 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.309 -1.221 1.644 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.511 -0.958 1.018 1.00 0.00 C ATOM 0 H PHE A 38 0.734 1.960 6.722 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.859 0.979 5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.608 2.456 4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.830 1.469 4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.530 1.654 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.035 -0.658 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.249 0.286 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.316 -2.030 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.827 -1.561 0.180 1.00 0.00 H new ATOM 595 N LYS A 39 -1.335 -1.426 5.903 1.00 0.00 N ATOM 596 CA LYS A 39 -1.068 -2.848 6.085 1.00 0.00 C ATOM 597 C LYS A 39 -1.752 -3.676 5.001 1.00 0.00 C ATOM 598 O LYS A 39 -2.921 -3.455 4.682 1.00 0.00 O ATOM 599 CB LYS A 39 -1.541 -3.305 7.467 1.00 0.00 C ATOM 600 CG LYS A 39 -1.381 -2.247 8.547 1.00 0.00 C ATOM 601 CD LYS A 39 0.036 -2.219 9.098 1.00 0.00 C ATOM 602 CE LYS A 39 0.047 -2.355 10.612 1.00 0.00 C ATOM 603 NZ LYS A 39 0.147 -3.777 11.041 1.00 0.00 N ATOM 0 H LYS A 39 -2.322 -1.193 5.792 1.00 0.00 H new ATOM 0 HA LYS A 39 0.008 -3.001 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.590 -3.593 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.982 -4.195 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.632 -1.268 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.083 -2.444 9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.616 -3.028 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.521 -1.286 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.886 -1.793 11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.862 -1.915 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.392 -3.913 11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.241 -4.392 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.145 -4.021 11.206 1.00 0.00 H new ATOM 617 N PHE A 40 -1.017 -4.630 4.442 1.00 0.00 N ATOM 618 CA PHE A 40 -1.551 -5.495 3.396 1.00 0.00 C ATOM 619 C PHE A 40 -1.391 -6.963 3.776 1.00 0.00 C ATOM 620 O PHE A 40 -0.277 -7.485 3.806 1.00 0.00 O ATOM 621 CB PHE A 40 -0.835 -5.225 2.071 1.00 0.00 C ATOM 622 CG PHE A 40 -1.402 -5.996 0.912 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.752 -5.924 0.606 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.582 -6.793 0.127 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.273 -6.633 -0.460 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.098 -7.504 -0.939 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.445 -7.425 -1.234 1.00 0.00 C ATOM 0 H PHE A 40 -0.048 -4.825 4.696 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.613 -5.276 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.889 -4.159 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.220 -5.474 2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.404 -5.307 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.472 -6.858 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.327 -6.568 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.448 -8.121 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.850 -7.980 -2.067 1.00 0.00 H new ATOM 637 N TYR A 41 -2.506 -7.625 4.069 1.00 0.00 N ATOM 638 CA TYR A 41 -2.476 -9.031 4.449 1.00 0.00 C ATOM 639 C TYR A 41 -3.175 -9.893 3.403 1.00 0.00 C ATOM 640 O TYR A 41 -4.366 -9.728 3.143 1.00 0.00 O ATOM 641 CB TYR A 41 -3.142 -9.230 5.812 1.00 0.00 C ATOM 642 CG TYR A 41 -2.416 -8.550 6.950 1.00 0.00 C ATOM 643 CD1 TYR A 41 -2.707 -7.238 7.299 1.00 0.00 C ATOM 644 CD2 TYR A 41 -1.440 -9.221 7.675 1.00 0.00 C ATOM 645 CE1 TYR A 41 -2.045 -6.613 8.339 1.00 0.00 C ATOM 646 CE2 TYR A 41 -0.775 -8.603 8.716 1.00 0.00 C ATOM 647 CZ TYR A 41 -1.081 -7.300 9.044 1.00 0.00 C ATOM 648 OH TYR A 41 -0.419 -6.681 10.080 1.00 0.00 O ATOM 0 H TYR A 41 -3.438 -7.211 4.050 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.432 -9.339 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.163 -8.851 5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.208 -10.298 6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.463 -6.697 6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.197 -10.242 7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.282 -5.592 8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.019 -9.139 9.270 1.00 0.00 H new ATOM 0 HH TYR A 41 0.491 -6.453 9.797 1.00 0.00 H new ATOM 658 N ALA A 42 -2.425 -10.817 2.817 1.00 0.00 N ATOM 659 CA ALA A 42 -2.965 -11.717 1.806 1.00 0.00 C ATOM 660 C ALA A 42 -2.624 -13.161 2.146 1.00 0.00 C ATOM 661 O ALA A 42 -2.382 -13.973 1.258 1.00 0.00 O ATOM 662 CB ALA A 42 -2.443 -11.360 0.423 1.00 0.00 C ATOM 0 H ALA A 42 -1.437 -10.963 3.025 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.049 -11.606 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.862 -12.047 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.737 -10.340 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.356 -11.437 0.414 1.00 0.00 H new ATOM 668 N LYS A 43 -2.613 -13.452 3.448 1.00 0.00 N ATOM 669 CA LYS A 43 -2.305 -14.781 3.983 1.00 0.00 C ATOM 670 C LYS A 43 -0.805 -14.927 4.294 1.00 0.00 C ATOM 671 O LYS A 43 -0.390 -14.584 5.401 1.00 0.00 O ATOM 672 CB LYS A 43 -2.847 -15.907 3.089 1.00 0.00 C ATOM 673 CG LYS A 43 -2.464 -17.298 3.573 1.00 0.00 C ATOM 674 CD LYS A 43 -3.376 -17.769 4.695 1.00 0.00 C ATOM 675 CE LYS A 43 -4.167 -19.002 4.288 1.00 0.00 C ATOM 676 NZ LYS A 43 -5.619 -18.854 4.586 1.00 0.00 N ATOM 0 H LYS A 43 -2.820 -12.763 4.171 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.830 -14.882 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.933 -15.833 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.474 -15.767 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.516 -18.001 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.431 -17.292 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.780 -17.993 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.063 -16.968 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.032 -19.184 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.776 -19.874 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.123 -19.716 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.750 -18.705 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.999 -18.038 4.066 1.00 0.00 H new ATOM 690 N PRO A 44 0.054 -15.413 3.366 1.00 0.00 N ATOM 691 CA PRO A 44 1.485 -15.546 3.649 1.00 0.00 C ATOM 692 C PRO A 44 2.240 -14.250 3.405 1.00 0.00 C ATOM 693 O PRO A 44 3.387 -14.100 3.825 1.00 0.00 O ATOM 694 CB PRO A 44 1.928 -16.589 2.640 1.00 0.00 C ATOM 695 CG PRO A 44 1.076 -16.319 1.452 1.00 0.00 C ATOM 696 CD PRO A 44 -0.256 -15.861 1.990 1.00 0.00 C ATOM 0 HA PRO A 44 1.677 -15.808 4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.987 -16.491 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.778 -17.600 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.524 -15.555 0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.963 -17.215 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.673 -15.052 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.988 -16.669 1.988 1.00 0.00 H new ATOM 704 N TYR A 45 1.597 -13.325 2.707 1.00 0.00 N ATOM 705 CA TYR A 45 2.225 -12.053 2.391 1.00 0.00 C ATOM 706 C TYR A 45 1.722 -10.937 3.302 1.00 0.00 C ATOM 707 O TYR A 45 0.538 -10.599 3.293 1.00 0.00 O ATOM 708 CB TYR A 45 1.967 -11.683 0.928 1.00 0.00 C ATOM 709 CG TYR A 45 2.614 -12.627 -0.063 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.743 -13.360 0.282 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.094 -12.783 -1.341 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.336 -14.223 -0.621 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.681 -13.644 -2.249 1.00 0.00 C ATOM 714 CZ TYR A 45 3.802 -14.362 -1.884 1.00 0.00 C ATOM 715 OH TYR A 45 4.389 -15.220 -2.786 1.00 0.00 O ATOM 0 H TYR A 45 0.647 -13.431 2.351 1.00 0.00 H new ATOM 0 HA TYR A 45 3.297 -12.166 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.892 -11.666 0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.335 -10.673 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.164 -13.254 1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.217 -12.223 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.213 -14.785 -0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.265 -13.754 -3.239 1.00 0.00 H new ATOM 0 HH TYR A 45 3.753 -15.926 -3.027 1.00 0.00 H new ATOM 725 N PHE A 46 2.635 -10.361 4.078 1.00 0.00 N ATOM 726 CA PHE A 46 2.296 -9.272 4.988 1.00 0.00 C ATOM 727 C PHE A 46 3.181 -8.059 4.713 1.00 0.00 C ATOM 728 O PHE A 46 4.404 -8.136 4.830 1.00 0.00 O ATOM 729 CB PHE A 46 2.456 -9.724 6.444 1.00 0.00 C ATOM 730 CG PHE A 46 2.712 -8.596 7.405 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.943 -7.443 7.361 1.00 0.00 C ATOM 732 CD2 PHE A 46 3.723 -8.687 8.347 1.00 0.00 C ATOM 733 CE1 PHE A 46 2.178 -6.403 8.241 1.00 0.00 C ATOM 734 CE2 PHE A 46 3.964 -7.650 9.229 1.00 0.00 C ATOM 735 CZ PHE A 46 3.190 -6.506 9.176 1.00 0.00 C ATOM 0 H PHE A 46 3.618 -10.631 4.095 1.00 0.00 H new ATOM 0 HA PHE A 46 1.256 -8.992 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.554 -10.253 6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.280 -10.435 6.505 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.152 -7.356 6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.330 -9.579 8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.571 -5.511 8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.756 -7.734 9.958 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.376 -5.694 9.864 1.00 0.00 H new ATOM 745 N LEU A 47 2.560 -6.944 4.341 1.00 0.00 N ATOM 746 CA LEU A 47 3.310 -5.728 4.048 1.00 0.00 C ATOM 747 C LEU A 47 2.841 -4.558 4.905 1.00 0.00 C ATOM 748 O LEU A 47 1.694 -4.121 4.809 1.00 0.00 O ATOM 749 CB LEU A 47 3.190 -5.369 2.566 1.00 0.00 C ATOM 750 CG LEU A 47 4.453 -5.615 1.735 1.00 0.00 C ATOM 751 CD1 LEU A 47 4.390 -4.838 0.429 1.00 0.00 C ATOM 752 CD2 LEU A 47 5.695 -5.228 2.523 1.00 0.00 C ATOM 0 H LEU A 47 1.549 -6.857 4.236 1.00 0.00 H new ATOM 0 HA LEU A 47 4.355 -5.924 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.371 -5.944 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.919 -4.317 2.484 1.00 0.00 H new ATOM 0 HG LEU A 47 4.510 -6.679 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.295 -5.024 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.521 -5.160 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.309 -3.772 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.582 -5.410 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.645 -4.171 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.749 -5.825 3.433 1.00 0.00 H new ATOM 764 N ARG A 48 3.748 -4.046 5.730 1.00 0.00 N ATOM 765 CA ARG A 48 3.450 -2.913 6.596 1.00 0.00 C ATOM 766 C ARG A 48 4.287 -1.710 6.181 1.00 0.00 C ATOM 767 O ARG A 48 5.512 -1.722 6.309 1.00 0.00 O ATOM 768 CB ARG A 48 3.728 -3.265 8.058 1.00 0.00 C ATOM 769 CG ARG A 48 3.875 -2.050 8.958 1.00 0.00 C ATOM 770 CD ARG A 48 5.301 -1.898 9.462 1.00 0.00 C ATOM 771 NE ARG A 48 5.346 -1.552 10.880 1.00 0.00 N ATOM 772 CZ ARG A 48 6.377 -1.825 11.672 1.00 0.00 C ATOM 773 NH1 ARG A 48 7.443 -2.445 11.185 1.00 0.00 N ATOM 774 NH2 ARG A 48 6.343 -1.477 12.951 1.00 0.00 N ATOM 0 H ARG A 48 4.700 -4.401 5.817 1.00 0.00 H new ATOM 0 HA ARG A 48 2.393 -2.667 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.917 -3.889 8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.640 -3.860 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.584 -1.153 8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.196 -2.140 9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.844 -2.829 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.809 -1.126 8.884 1.00 0.00 H new ATOM 0 HE ARG A 48 4.541 -1.074 11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.472 -2.713 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.234 -2.654 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.525 -0.999 13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.135 -1.687 13.558 1.00 0.00 H new ATOM 788 N LEU A 49 3.627 -0.679 5.670 1.00 0.00 N ATOM 789 CA LEU A 49 4.323 0.519 5.223 1.00 0.00 C ATOM 790 C LEU A 49 3.842 1.759 5.969 1.00 0.00 C ATOM 791 O LEU A 49 2.647 2.054 5.999 1.00 0.00 O ATOM 792 CB LEU A 49 4.127 0.710 3.718 1.00 0.00 C ATOM 793 CG LEU A 49 4.889 -0.279 2.835 1.00 0.00 C ATOM 794 CD1 LEU A 49 4.687 0.056 1.368 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.368 -0.274 3.186 1.00 0.00 C ATOM 0 H LEU A 49 2.614 -0.648 5.555 1.00 0.00 H new ATOM 0 HA LEU A 49 5.383 0.387 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.064 0.630 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.434 1.722 3.453 1.00 0.00 H new ATOM 0 HG LEU A 49 4.496 -1.280 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.236 -0.657 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.626 0.003 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.054 1.063 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.896 -0.983 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.775 0.725 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.495 -0.560 4.230 1.00 0.00 H new ATOM 807 N THR A 50 4.784 2.485 6.559 1.00 0.00 N ATOM 808 CA THR A 50 4.465 3.703 7.293 1.00 0.00 C ATOM 809 C THR A 50 4.488 4.907 6.359 1.00 0.00 C ATOM 810 O THR A 50 5.550 5.338 5.911 1.00 0.00 O ATOM 811 CB THR A 50 5.454 3.937 8.452 1.00 0.00 C ATOM 812 OG1 THR A 50 6.134 2.728 8.810 1.00 0.00 O ATOM 813 CG2 THR A 50 4.730 4.465 9.680 1.00 0.00 C ATOM 0 H THR A 50 5.777 2.251 6.543 1.00 0.00 H new ATOM 0 HA THR A 50 3.465 3.582 7.709 1.00 0.00 H new ATOM 0 HB THR A 50 6.182 4.671 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.075 2.926 9.001 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.447 4.623 10.485 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.243 5.410 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.980 3.742 9.999 1.00 0.00 H new ATOM 821 N LEU A 51 3.306 5.436 6.055 1.00 0.00 N ATOM 822 CA LEU A 51 3.187 6.580 5.156 1.00 0.00 C ATOM 823 C LEU A 51 3.653 7.874 5.820 1.00 0.00 C ATOM 824 O LEU A 51 3.203 8.217 6.913 1.00 0.00 O ATOM 825 CB LEU A 51 1.740 6.730 4.688 1.00 0.00 C ATOM 826 CG LEU A 51 1.010 5.414 4.418 1.00 0.00 C ATOM 827 CD1 LEU A 51 -0.375 5.679 3.848 1.00 0.00 C ATOM 828 CD2 LEU A 51 1.820 4.543 3.470 1.00 0.00 C ATOM 0 H LEU A 51 2.417 5.091 6.418 1.00 0.00 H new ATOM 0 HA LEU A 51 3.833 6.394 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.186 7.288 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.728 7.328 3.777 1.00 0.00 H new ATOM 0 HG LEU A 51 0.896 4.882 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.880 4.731 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.955 6.265 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.284 6.231 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.287 3.610 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.964 5.069 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.791 4.325 3.916 1.00 0.00 H new ATOM 840 N PRO A 52 4.556 8.618 5.157 1.00 0.00 N ATOM 841 CA PRO A 52 5.074 9.886 5.676 1.00 0.00 C ATOM 842 C PRO A 52 4.027 10.992 5.614 1.00 0.00 C ATOM 843 O PRO A 52 3.916 11.700 4.612 1.00 0.00 O ATOM 844 CB PRO A 52 6.248 10.224 4.742 1.00 0.00 C ATOM 845 CG PRO A 52 6.451 9.019 3.882 1.00 0.00 C ATOM 846 CD PRO A 52 5.137 8.294 3.849 1.00 0.00 C ATOM 0 HA PRO A 52 5.364 9.803 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.024 11.102 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.148 10.452 5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.761 9.307 2.877 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.236 8.381 4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.506 8.637 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.270 7.220 3.720 1.00 0.00 H new ATOM 854 N GLY A 53 3.259 11.139 6.686 1.00 0.00 N ATOM 855 CA GLY A 53 2.230 12.161 6.725 1.00 0.00 C ATOM 856 C GLY A 53 0.893 11.617 7.184 1.00 0.00 C ATOM 857 O GLY A 53 0.831 10.829 8.129 1.00 0.00 O ATOM 0 H GLY A 53 3.330 10.569 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.543 12.962 7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.120 12.600 5.733 1.00 0.00 H new ATOM 861 N ARG A 54 -0.180 12.035 6.521 1.00 0.00 N ATOM 862 CA ARG A 54 -1.516 11.577 6.883 1.00 0.00 C ATOM 863 C ARG A 54 -2.408 11.419 5.654 1.00 0.00 C ATOM 864 O ARG A 54 -2.434 12.278 4.774 1.00 0.00 O ATOM 865 CB ARG A 54 -2.168 12.552 7.866 1.00 0.00 C ATOM 866 CG ARG A 54 -1.216 13.603 8.415 1.00 0.00 C ATOM 867 CD ARG A 54 -0.437 13.080 9.610 1.00 0.00 C ATOM 868 NE ARG A 54 -0.407 14.044 10.706 1.00 0.00 N ATOM 869 CZ ARG A 54 0.306 15.165 10.681 1.00 0.00 C ATOM 870 NH1 ARG A 54 1.043 15.459 9.620 1.00 0.00 N ATOM 871 NH2 ARG A 54 0.283 15.991 11.719 1.00 0.00 N ATOM 0 H ARG A 54 -0.152 12.685 5.736 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.408 10.601 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.999 13.053 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.589 11.987 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.522 13.910 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.780 14.489 8.707 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.887 12.150 9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.583 12.846 9.304 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.964 13.846 11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.063 14.825 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.590 16.320 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.282 15.766 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.831 16.851 11.699 1.00 0.00 H new ATOM 885 N ILE A 55 -3.156 10.320 5.621 1.00 0.00 N ATOM 886 CA ILE A 55 -4.075 10.043 4.525 1.00 0.00 C ATOM 887 C ILE A 55 -5.505 10.007 5.049 1.00 0.00 C ATOM 888 O ILE A 55 -5.800 9.310 6.020 1.00 0.00 O ATOM 889 CB ILE A 55 -3.744 8.706 3.831 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.366 8.778 3.169 1.00 0.00 C ATOM 891 CG2 ILE A 55 -4.811 8.350 2.804 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.273 9.817 2.072 1.00 0.00 C ATOM 0 H ILE A 55 -3.142 9.603 6.347 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.969 10.840 3.789 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.727 7.922 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.618 8.998 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.120 7.801 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.556 7.403 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.777 8.258 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.864 9.134 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.268 9.811 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.997 9.587 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.487 10.803 2.485 1.00 0.00 H new ATOM 904 N VAL A 56 -6.385 10.787 4.432 1.00 0.00 N ATOM 905 CA VAL A 56 -7.774 10.863 4.878 1.00 0.00 C ATOM 906 C VAL A 56 -8.485 9.520 4.796 1.00 0.00 C ATOM 907 O VAL A 56 -8.105 8.639 4.024 1.00 0.00 O ATOM 908 CB VAL A 56 -8.570 11.908 4.078 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.346 11.729 2.586 1.00 0.00 C ATOM 910 CG2 VAL A 56 -10.051 11.824 4.419 1.00 0.00 C ATOM 0 H VAL A 56 -6.165 11.373 3.627 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.734 11.166 5.924 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.212 12.900 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.918 12.479 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.286 11.846 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.673 10.733 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.600 12.570 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.425 10.830 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.190 12.012 5.484 1.00 0.00 H new ATOM 920 N GLU A 57 -9.527 9.384 5.610 1.00 0.00 N ATOM 921 CA GLU A 57 -10.319 8.165 5.658 1.00 0.00 C ATOM 922 C GLU A 57 -11.787 8.467 5.377 1.00 0.00 C ATOM 923 O GLU A 57 -12.366 9.382 5.963 1.00 0.00 O ATOM 924 CB GLU A 57 -10.179 7.500 7.027 1.00 0.00 C ATOM 925 CG GLU A 57 -8.738 7.274 7.453 1.00 0.00 C ATOM 926 CD GLU A 57 -8.622 6.808 8.891 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.996 5.650 9.173 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.157 7.602 9.736 1.00 0.00 O ATOM 0 H GLU A 57 -9.843 10.112 6.250 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.950 7.485 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.676 8.119 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.698 6.542 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.281 6.533 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.177 8.200 7.328 1.00 0.00 H new ATOM 935 N ASN A 58 -12.383 7.695 4.476 1.00 0.00 N ATOM 936 CA ASN A 58 -13.784 7.880 4.117 1.00 0.00 C ATOM 937 C ASN A 58 -14.317 6.655 3.384 1.00 0.00 C ATOM 938 O ASN A 58 -15.435 6.203 3.635 1.00 0.00 O ATOM 939 CB ASN A 58 -13.946 9.124 3.242 1.00 0.00 C ATOM 940 CG ASN A 58 -15.256 9.844 3.494 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.929 9.598 4.495 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.624 10.739 2.585 1.00 0.00 N ATOM 0 H ASN A 58 -11.918 6.935 3.980 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.358 8.013 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.118 9.807 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.889 8.836 2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.496 11.255 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.035 10.911 1.770 1.00 0.00 H new ATOM 949 N GLY A 59 -13.506 6.124 2.477 1.00 0.00 N ATOM 950 CA GLY A 59 -13.906 4.956 1.716 1.00 0.00 C ATOM 951 C GLY A 59 -14.112 5.265 0.247 1.00 0.00 C ATOM 952 O GLY A 59 -14.418 4.372 -0.544 1.00 0.00 O ATOM 0 H GLY A 59 -12.577 6.482 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.146 4.182 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.829 4.553 2.133 1.00 0.00 H new ATOM 956 N SER A 60 -13.937 6.529 -0.121 1.00 0.00 N ATOM 957 CA SER A 60 -14.099 6.950 -1.506 1.00 0.00 C ATOM 958 C SER A 60 -12.778 6.847 -2.259 1.00 0.00 C ATOM 959 O SER A 60 -12.539 7.578 -3.220 1.00 0.00 O ATOM 960 CB SER A 60 -14.624 8.385 -1.570 1.00 0.00 C ATOM 961 OG SER A 60 -15.882 8.441 -2.219 1.00 0.00 O ATOM 0 H SER A 60 -13.683 7.280 0.521 1.00 0.00 H new ATOM 0 HA SER A 60 -14.823 6.287 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.714 8.788 -0.561 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.909 9.013 -2.101 1.00 0.00 H new ATOM 0 HG SER A 60 -16.196 9.369 -2.245 1.00 0.00 H new ATOM 967 N GLU A 61 -11.922 5.934 -1.814 1.00 0.00 N ATOM 968 CA GLU A 61 -10.623 5.729 -2.442 1.00 0.00 C ATOM 969 C GLU A 61 -10.773 4.987 -3.763 1.00 0.00 C ATOM 970 O GLU A 61 -11.881 4.823 -4.273 1.00 0.00 O ATOM 971 CB GLU A 61 -9.703 4.942 -1.505 1.00 0.00 C ATOM 972 CG GLU A 61 -10.263 3.587 -1.104 1.00 0.00 C ATOM 973 CD GLU A 61 -10.806 3.576 0.311 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.811 4.647 0.953 1.00 0.00 O ATOM 975 OE2 GLU A 61 -11.229 2.497 0.777 1.00 0.00 O ATOM 0 H GLU A 61 -12.105 5.323 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.182 6.706 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.738 4.798 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.522 5.532 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.057 3.307 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.481 2.833 -1.195 1.00 0.00 H new ATOM 982 N GLN A 62 -9.651 4.537 -4.312 1.00 0.00 N ATOM 983 CA GLN A 62 -9.657 3.806 -5.571 1.00 0.00 C ATOM 984 C GLN A 62 -8.766 2.573 -5.477 1.00 0.00 C ATOM 985 O GLN A 62 -7.680 2.625 -4.902 1.00 0.00 O ATOM 986 CB GLN A 62 -9.194 4.713 -6.713 1.00 0.00 C ATOM 987 CG GLN A 62 -10.265 5.681 -7.189 1.00 0.00 C ATOM 988 CD GLN A 62 -9.779 6.596 -8.295 1.00 0.00 C ATOM 989 OE1 GLN A 62 -10.412 6.713 -9.344 1.00 0.00 O ATOM 990 NE2 GLN A 62 -8.648 7.253 -8.065 1.00 0.00 N ATOM 0 H GLN A 62 -8.725 4.666 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.676 3.479 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.322 5.280 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.876 4.094 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.127 5.116 -7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.603 6.284 -6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.155 7.126 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.272 7.884 -8.772 1.00 0.00 H new ATOM 999 N GLY A 63 -9.234 1.464 -6.036 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.464 0.234 -5.994 1.00 0.00 C ATOM 1001 C GLY A 63 -8.711 -0.646 -7.200 1.00 0.00 C ATOM 1002 O GLY A 63 -9.769 -0.572 -7.825 1.00 0.00 O ATOM 0 H GLY A 63 -10.131 1.393 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.403 0.475 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.716 -0.318 -5.088 1.00 0.00 H new ATOM 1006 N SER A 64 -7.732 -1.482 -7.531 1.00 0.00 N ATOM 1007 CA SER A 64 -7.851 -2.379 -8.675 1.00 0.00 C ATOM 1008 C SER A 64 -6.799 -3.482 -8.619 1.00 0.00 C ATOM 1009 O SER A 64 -5.599 -3.214 -8.651 1.00 0.00 O ATOM 1010 CB SER A 64 -7.711 -1.592 -9.979 1.00 0.00 C ATOM 1011 OG SER A 64 -6.387 -1.664 -10.480 1.00 0.00 O ATOM 0 H SER A 64 -6.850 -1.557 -7.025 1.00 0.00 H new ATOM 0 HA SER A 64 -8.837 -2.843 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.406 -1.986 -10.721 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.983 -0.550 -9.809 1.00 0.00 H new ATOM 0 HG SER A 64 -5.779 -1.931 -9.759 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.262 -4.727 -8.540 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.365 -5.876 -8.486 1.00 0.00 C ATOM 1019 C TYR A 65 -6.503 -6.725 -9.747 1.00 0.00 C ATOM 1020 O TYR A 65 -7.611 -6.968 -10.223 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.663 -6.727 -7.250 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.071 -8.116 -7.313 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.758 -8.314 -7.719 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -6.826 -9.231 -6.965 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.213 -9.583 -7.778 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.287 -10.502 -7.021 1.00 0.00 C ATOM 1027 CZ TYR A 65 -4.981 -10.672 -7.429 1.00 0.00 C ATOM 1028 OH TYR A 65 -4.441 -11.937 -7.487 1.00 0.00 O ATOM 0 H TYR A 65 -8.253 -4.965 -8.512 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.341 -5.507 -8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.278 -6.217 -6.367 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.743 -6.807 -7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.153 -7.463 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.850 -9.101 -6.646 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.190 -9.720 -8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.886 -11.358 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.113 -12.593 -7.208 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.372 -7.168 -10.287 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.375 -7.985 -11.496 1.00 0.00 C ATOM 1040 C ASP A 66 -4.667 -9.315 -11.264 1.00 0.00 C ATOM 1041 O ASP A 66 -3.512 -9.350 -10.838 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.703 -7.232 -12.644 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.704 -6.694 -13.647 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -6.874 -6.486 -13.264 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.317 -6.481 -14.816 1.00 0.00 O ATOM 0 H ASP A 66 -4.445 -6.976 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.412 -8.191 -11.759 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.118 -6.406 -12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.005 -7.898 -13.152 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.365 -10.406 -11.558 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.804 -11.741 -11.393 1.00 0.00 C ATOM 1052 C ALA A 67 -3.956 -12.125 -12.602 1.00 0.00 C ATOM 1053 O ALA A 67 -2.965 -12.845 -12.479 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.902 -12.772 -11.169 1.00 0.00 C ATOM 0 H ALA A 67 -6.321 -10.392 -11.912 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.164 -11.726 -10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.455 -13.759 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.464 -12.516 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.574 -12.780 -12.027 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.367 -11.648 -13.772 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.664 -11.947 -15.015 1.00 0.00 C ATOM 1062 C ASP A 68 -2.177 -11.617 -14.909 1.00 0.00 C ATOM 1063 O ASP A 68 -1.327 -12.442 -15.245 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.287 -11.169 -16.175 1.00 0.00 C ATOM 1065 CG ASP A 68 -4.944 -12.081 -17.194 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -5.189 -13.260 -16.863 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -5.211 -11.615 -18.322 1.00 0.00 O ATOM 0 H ASP A 68 -5.186 -11.051 -13.886 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.761 -13.016 -15.202 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.028 -10.471 -15.785 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.516 -10.575 -16.666 1.00 0.00 H new ATOM 1072 N LYS A 69 -1.864 -10.410 -14.448 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.473 -9.988 -14.311 1.00 0.00 C ATOM 1074 C LYS A 69 -0.050 -9.942 -12.845 1.00 0.00 C ATOM 1075 O LYS A 69 1.119 -9.717 -12.535 1.00 0.00 O ATOM 1076 CB LYS A 69 -0.265 -8.617 -14.956 1.00 0.00 C ATOM 1077 CG LYS A 69 -1.538 -7.795 -15.068 1.00 0.00 C ATOM 1078 CD LYS A 69 -1.297 -6.501 -15.829 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.495 -5.286 -14.938 1.00 0.00 C ATOM 1080 NZ LYS A 69 -2.401 -4.281 -15.561 1.00 0.00 N ATOM 0 H LYS A 69 -2.550 -9.710 -14.164 1.00 0.00 H new ATOM 0 HA LYS A 69 0.149 -10.722 -14.823 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.467 -8.059 -14.373 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.157 -8.754 -15.952 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.307 -8.379 -15.574 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.915 -7.568 -14.071 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.284 -6.497 -16.231 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.977 -6.445 -16.679 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.908 -5.602 -13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.529 -4.825 -14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.510 -3.468 -14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.995 -3.960 -16.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.331 -4.712 -15.734 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.006 -10.153 -11.947 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.704 -10.127 -10.528 1.00 0.00 C ATOM 1096 C GLY A 70 -0.227 -8.765 -10.064 1.00 0.00 C ATOM 1097 O GLY A 70 0.911 -8.618 -9.617 1.00 0.00 O ATOM 0 H GLY A 70 -1.982 -10.341 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.594 -10.409 -9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.061 -10.871 -10.308 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.097 -7.767 -10.174 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.758 -6.409 -9.764 1.00 0.00 C ATOM 1103 C ILE A 71 -1.962 -5.700 -9.155 1.00 0.00 C ATOM 1104 O ILE A 71 -3.000 -5.550 -9.800 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.228 -5.581 -10.951 1.00 0.00 C ATOM 1106 CG1 ILE A 71 0.540 -6.480 -11.923 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.658 -4.448 -10.453 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.324 -5.712 -12.966 1.00 0.00 C ATOM 0 H ILE A 71 -2.042 -7.873 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 71 0.026 -6.491 -9.011 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.075 -5.146 -11.480 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.225 -7.111 -11.357 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.164 -7.144 -12.425 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.025 -3.872 -11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.081 -3.797 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.503 -4.862 -9.903 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.843 -6.413 -13.620 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.642 -5.101 -13.557 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.052 -5.068 -12.473 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.817 -5.271 -7.906 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.892 -4.580 -7.203 1.00 0.00 C ATOM 1122 C PHE A 72 -2.506 -3.135 -6.899 1.00 0.00 C ATOM 1123 O PHE A 72 -1.571 -2.878 -6.140 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.232 -5.319 -5.906 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.995 -4.483 -4.916 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.928 -3.554 -5.346 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.778 -4.631 -3.555 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.632 -2.787 -4.438 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.479 -3.866 -2.641 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.407 -2.942 -3.083 1.00 0.00 C ATOM 0 H PHE A 72 -0.964 -5.390 -7.359 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.770 -4.569 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.818 -6.206 -6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.308 -5.663 -5.442 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.107 -3.428 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.054 -5.351 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.358 -2.067 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.302 -3.990 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.955 -2.342 -2.371 1.00 0.00 H new ATOM 1140 N THR A 73 -3.231 -2.196 -7.497 1.00 0.00 N ATOM 1141 CA THR A 73 -2.967 -0.777 -7.295 1.00 0.00 C ATOM 1142 C THR A 73 -4.142 -0.094 -6.599 1.00 0.00 C ATOM 1143 O THR A 73 -5.288 -0.222 -7.028 1.00 0.00 O ATOM 1144 CB THR A 73 -2.695 -0.065 -8.634 1.00 0.00 C ATOM 1145 OG1 THR A 73 -1.657 -0.721 -9.371 1.00 0.00 O ATOM 1146 CG2 THR A 73 -2.284 1.381 -8.406 1.00 0.00 C ATOM 0 H THR A 73 -4.008 -2.393 -8.127 1.00 0.00 H new ATOM 0 HA THR A 73 -2.081 -0.704 -6.664 1.00 0.00 H new ATOM 0 HB THR A 73 -3.622 -0.100 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.507 -0.248 -10.216 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.098 1.862 -9.366 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.083 1.909 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.376 1.411 -7.803 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.853 0.628 -5.519 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.898 1.320 -4.772 1.00 0.00 C ATOM 1156 C ILE A 74 -4.486 2.740 -4.393 1.00 0.00 C ATOM 1157 O ILE A 74 -3.519 2.943 -3.660 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.261 0.548 -3.488 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.203 1.378 -2.614 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.001 0.182 -2.716 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.466 0.643 -2.222 1.00 0.00 C ATOM 0 H ILE A 74 -2.912 0.748 -5.145 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.766 1.372 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.774 -0.372 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.674 1.683 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.473 2.289 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.273 -0.363 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.362 -0.444 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.464 1.091 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.087 1.291 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.017 0.362 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.205 -0.254 -1.660 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.235 3.720 -4.896 1.00 0.00 N ATOM 1174 CA ARG A 75 -4.960 5.126 -4.611 1.00 0.00 C ATOM 1175 C ARG A 75 -5.679 5.570 -3.347 1.00 0.00 C ATOM 1176 O ARG A 75 -6.770 5.089 -3.037 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.387 5.999 -5.792 1.00 0.00 C ATOM 1178 CG ARG A 75 -4.781 5.568 -7.119 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.852 5.284 -8.158 1.00 0.00 C ATOM 1180 NE ARG A 75 -6.216 3.869 -8.198 1.00 0.00 N ATOM 1181 CZ ARG A 75 -6.674 3.254 -9.283 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -6.825 3.926 -10.417 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -6.982 1.965 -9.236 1.00 0.00 N ATOM 0 H ARG A 75 -6.039 3.565 -5.504 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.887 5.240 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.474 5.978 -5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.103 7.032 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.115 6.349 -7.486 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.173 4.676 -6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.738 5.880 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.495 5.594 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.112 3.322 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.589 4.918 -10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.177 3.451 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.867 1.445 -8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.334 1.494 -10.070 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.056 6.487 -2.614 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.631 6.989 -1.374 1.00 0.00 C ATOM 1199 C LEU A 76 -5.576 8.514 -1.311 1.00 0.00 C ATOM 1200 O LEU A 76 -4.581 9.127 -1.696 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.886 6.390 -0.184 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.783 4.864 -0.189 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.795 4.390 0.869 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.150 4.240 0.038 1.00 0.00 C ATOM 0 H LEU A 76 -4.154 6.896 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.679 6.691 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.879 6.807 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.385 6.703 0.733 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.416 4.546 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.736 3.302 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.811 4.811 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.130 4.718 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.060 3.154 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.543 4.566 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.829 4.552 -0.756 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.654 9.143 -0.816 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.737 10.601 -0.691 1.00 0.00 C ATOM 1218 C PRO A 77 -5.922 11.125 0.487 1.00 0.00 C ATOM 1219 O PRO A 77 -5.765 10.448 1.508 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.228 10.844 -0.466 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.713 9.607 0.207 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.877 8.475 -0.334 1.00 0.00 C ATOM 0 HA PRO A 77 -6.334 11.116 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.397 11.725 0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.749 11.013 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.607 9.686 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.771 9.442 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.653 7.738 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.389 7.948 -1.139 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.419 12.346 0.355 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.633 12.954 1.416 1.00 0.00 C ATOM 1232 C LYS A 78 -5.501 13.854 2.282 1.00 0.00 C ATOM 1233 O LYS A 78 -6.536 14.351 1.838 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.471 13.752 0.824 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.233 12.912 0.558 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.234 13.650 -0.318 1.00 0.00 C ATOM 1237 CE LYS A 78 0.197 13.303 0.060 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.820 12.369 -0.917 1.00 0.00 N ATOM 0 H LYS A 78 -5.541 12.930 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.231 12.158 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.795 14.213 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.212 14.562 1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.762 12.647 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.523 11.979 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.408 13.396 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.387 14.725 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.789 14.217 0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.211 12.852 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.795 12.158 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.270 11.487 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.831 12.809 -1.859 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.069 14.067 3.516 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.803 14.913 4.443 1.00 0.00 C ATOM 1254 C GLU A 79 -5.449 16.384 4.225 1.00 0.00 C ATOM 1255 O GLU A 79 -6.060 17.275 4.814 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.503 14.498 5.883 1.00 0.00 C ATOM 1257 CG GLU A 79 -6.387 15.182 6.913 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.598 16.025 7.896 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -4.594 16.638 7.479 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -5.986 16.071 9.082 1.00 0.00 O ATOM 0 H GLU A 79 -4.213 13.665 3.898 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.870 14.788 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.624 13.418 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.460 14.722 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.113 15.813 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.951 14.427 7.460 1.00 0.00 H new ATOM 1267 N THR A 80 -4.461 16.627 3.365 1.00 0.00 N ATOM 1268 CA THR A 80 -4.025 17.983 3.054 1.00 0.00 C ATOM 1269 C THR A 80 -3.383 18.043 1.669 1.00 0.00 C ATOM 1270 O THR A 80 -2.173 17.870 1.526 1.00 0.00 O ATOM 1271 CB THR A 80 -3.022 18.509 4.097 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.576 18.476 5.418 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.614 19.939 3.780 1.00 0.00 C ATOM 0 H THR A 80 -3.947 15.898 2.871 1.00 0.00 H new ATOM 0 HA THR A 80 -4.913 18.614 3.072 1.00 0.00 H new ATOM 0 HB THR A 80 -2.150 17.857 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.916 18.814 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.905 20.290 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.148 19.975 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.496 20.579 3.787 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.198 18.285 0.632 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.728 18.366 -0.752 1.00 0.00 C ATOM 1283 C PRO A 81 -2.421 19.139 -0.889 1.00 0.00 C ATOM 1284 O PRO A 81 -2.051 19.918 -0.011 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.865 19.105 -1.452 1.00 0.00 C ATOM 1286 CG PRO A 81 -6.087 18.705 -0.697 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.654 18.497 0.732 1.00 0.00 C ATOM 0 HA PRO A 81 -3.509 17.383 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.715 20.184 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.936 18.822 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.854 19.477 -0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.517 17.792 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.891 19.362 1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.153 17.638 1.180 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.726 18.917 -2.002 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.466 19.597 -2.241 1.00 0.00 C ATOM 1297 C GLY A 82 0.688 18.968 -1.487 1.00 0.00 C ATOM 1298 O GLY A 82 1.842 19.356 -1.669 1.00 0.00 O ATOM 0 H GLY A 82 -2.014 18.278 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.247 19.584 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.560 20.642 -1.947 1.00 0.00 H new ATOM 1302 N GLN A 83 0.377 17.995 -0.637 1.00 0.00 N ATOM 1303 CA GLN A 83 1.395 17.310 0.150 1.00 0.00 C ATOM 1304 C GLN A 83 2.050 16.193 -0.657 1.00 0.00 C ATOM 1305 O GLN A 83 1.390 15.510 -1.440 1.00 0.00 O ATOM 1306 CB GLN A 83 0.778 16.739 1.427 1.00 0.00 C ATOM 1307 CG GLN A 83 1.630 15.671 2.091 1.00 0.00 C ATOM 1308 CD GLN A 83 1.894 15.964 3.556 1.00 0.00 C ATOM 1309 OE1 GLN A 83 0.980 15.934 4.381 1.00 0.00 O ATOM 1310 NE2 GLN A 83 3.147 16.248 3.886 1.00 0.00 N ATOM 0 H GLN A 83 -0.574 17.663 -0.476 1.00 0.00 H new ATOM 0 HA GLN A 83 2.163 18.036 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.612 17.551 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.199 16.317 1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.132 14.706 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.580 15.589 1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.873 16.262 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.385 16.453 4.856 1.00 0.00 H new ATOM 1319 N HIS A 84 3.354 16.016 -0.463 1.00 0.00 N ATOM 1320 CA HIS A 84 4.100 14.985 -1.176 1.00 0.00 C ATOM 1321 C HIS A 84 4.878 14.100 -0.207 1.00 0.00 C ATOM 1322 O HIS A 84 5.726 14.581 0.543 1.00 0.00 O ATOM 1323 CB HIS A 84 5.064 15.627 -2.177 1.00 0.00 C ATOM 1324 CG HIS A 84 6.068 14.672 -2.749 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.320 14.569 -4.102 1.00 0.00 N ATOM 1326 CD2 HIS A 84 6.891 13.778 -2.148 1.00 0.00 C ATOM 1327 CE1 HIS A 84 7.251 13.653 -4.307 1.00 0.00 C ATOM 1328 NE2 HIS A 84 7.614 13.159 -3.138 1.00 0.00 N ATOM 0 H HIS A 84 3.915 16.573 0.182 1.00 0.00 H new ATOM 0 HA HIS A 84 3.384 14.362 -1.712 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.488 16.065 -2.992 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.593 16.444 -1.685 1.00 0.00 H new ATOM 0 HD1 HIS A 84 5.860 15.115 -4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.964 13.588 -1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.647 13.359 -5.268 1.00 0.00 H new ATOM 1337 N PHE A 85 4.592 12.801 -0.238 1.00 0.00 N ATOM 1338 CA PHE A 85 5.274 11.849 0.626 1.00 0.00 C ATOM 1339 C PHE A 85 6.609 11.445 0.007 1.00 0.00 C ATOM 1340 O PHE A 85 6.672 10.544 -0.830 1.00 0.00 O ATOM 1341 CB PHE A 85 4.396 10.620 0.851 1.00 0.00 C ATOM 1342 CG PHE A 85 3.252 10.868 1.795 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.928 12.158 2.185 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.504 9.813 2.292 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.878 12.391 3.054 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.452 10.041 3.160 1.00 0.00 C ATOM 1347 CZ PHE A 85 1.139 11.330 3.541 1.00 0.00 C ATOM 0 H PHE A 85 3.892 12.386 -0.853 1.00 0.00 H new ATOM 0 HA PHE A 85 5.465 12.319 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.000 10.285 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.011 9.810 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.502 12.991 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.745 8.802 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.636 13.401 3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.875 9.210 3.540 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.318 11.509 4.219 1.00 0.00 H new ATOM 1357 N GLU A 86 7.665 12.136 0.414 1.00 0.00 N ATOM 1358 CA GLU A 86 9.003 11.883 -0.106 1.00 0.00 C ATOM 1359 C GLU A 86 9.585 10.568 0.405 1.00 0.00 C ATOM 1360 O GLU A 86 9.004 9.900 1.261 1.00 0.00 O ATOM 1361 CB GLU A 86 9.932 13.039 0.267 1.00 0.00 C ATOM 1362 CG GLU A 86 9.778 14.256 -0.629 1.00 0.00 C ATOM 1363 CD GLU A 86 10.979 15.178 -0.572 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.112 14.690 -0.764 1.00 0.00 O ATOM 1365 OE2 GLU A 86 10.787 16.390 -0.335 1.00 0.00 O ATOM 0 H GLU A 86 7.620 12.882 1.108 1.00 0.00 H new ATOM 0 HA GLU A 86 8.921 11.804 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.738 13.331 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.965 12.693 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.625 13.928 -1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.886 14.809 -0.334 1.00 0.00 H new ATOM 1372 N GLY A 87 10.752 10.220 -0.131 1.00 0.00 N ATOM 1373 CA GLY A 87 11.436 9.005 0.263 1.00 0.00 C ATOM 1374 C GLY A 87 10.496 7.860 0.586 1.00 0.00 C ATOM 1375 O GLY A 87 10.729 7.117 1.538 1.00 0.00 O ATOM 0 H GLY A 87 11.239 10.768 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.107 8.699 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.056 9.213 1.135 1.00 0.00 H new ATOM 1379 N LEU A 88 9.439 7.703 -0.204 1.00 0.00 N ATOM 1380 CA LEU A 88 8.490 6.623 0.028 1.00 0.00 C ATOM 1381 C LEU A 88 9.195 5.277 -0.077 1.00 0.00 C ATOM 1382 O LEU A 88 9.259 4.527 0.897 1.00 0.00 O ATOM 1383 CB LEU A 88 7.330 6.695 -0.961 1.00 0.00 C ATOM 1384 CG LEU A 88 6.091 7.430 -0.442 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.253 7.952 -1.598 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.264 6.516 0.450 1.00 0.00 C ATOM 0 H LEU A 88 9.220 8.302 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 88 8.083 6.732 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.675 7.189 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.044 5.681 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 88 6.421 8.283 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.378 8.471 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.848 8.643 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.932 7.117 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.387 7.055 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.945 5.643 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.866 6.194 1.300 1.00 0.00 H new ATOM 1398 N ASN A 89 9.741 4.974 -1.257 1.00 0.00 N ATOM 1399 CA ASN A 89 10.455 3.719 -1.465 1.00 0.00 C ATOM 1400 C ASN A 89 11.894 3.829 -0.966 1.00 0.00 C ATOM 1401 O ASN A 89 12.722 2.956 -1.225 1.00 0.00 O ATOM 1402 CB ASN A 89 10.448 3.343 -2.948 1.00 0.00 C ATOM 1403 CG ASN A 89 9.841 1.977 -3.197 1.00 0.00 C ATOM 1404 OD1 ASN A 89 8.654 1.858 -3.502 1.00 0.00 O ATOM 1405 ND2 ASN A 89 10.657 0.936 -3.071 1.00 0.00 N ATOM 0 H ASN A 89 9.701 5.579 -2.077 1.00 0.00 H new ATOM 0 HA ASN A 89 9.946 2.940 -0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.889 4.093 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.469 3.358 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.306 -0.009 -3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.634 1.082 -2.816 1.00 0.00 H new ATOM 1412 N MET A 90 12.172 4.896 -0.225 1.00 0.00 N ATOM 1413 CA MET A 90 13.492 5.118 0.346 1.00 0.00 C ATOM 1414 C MET A 90 13.408 4.959 1.856 1.00 0.00 C ATOM 1415 O MET A 90 14.355 4.517 2.507 1.00 0.00 O ATOM 1416 CB MET A 90 14.007 6.515 -0.011 1.00 0.00 C ATOM 1417 CG MET A 90 14.082 6.772 -1.507 1.00 0.00 C ATOM 1418 SD MET A 90 14.432 8.499 -1.896 1.00 0.00 S ATOM 1419 CE MET A 90 16.218 8.519 -1.771 1.00 0.00 C ATOM 0 H MET A 90 11.493 5.625 -0.005 1.00 0.00 H new ATOM 0 HA MET A 90 14.190 4.388 -0.064 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.356 7.261 0.445 1.00 0.00 H new ATOM 0 HB3 MET A 90 14.998 6.649 0.422 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.857 6.141 -1.942 1.00 0.00 H new ATOM 0 HG3 MET A 90 13.138 6.483 -1.970 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.586 9.522 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.515 8.231 -0.763 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.641 7.816 -2.489 1.00 0.00 H new ATOM 1429 N LEU A 91 12.247 5.315 2.399 1.00 0.00 N ATOM 1430 CA LEU A 91 11.995 5.211 3.827 1.00 0.00 C ATOM 1431 C LEU A 91 12.385 3.830 4.340 1.00 0.00 C ATOM 1432 O LEU A 91 12.784 2.960 3.566 1.00 0.00 O ATOM 1433 CB LEU A 91 10.513 5.475 4.110 1.00 0.00 C ATOM 1434 CG LEU A 91 10.218 6.709 4.964 1.00 0.00 C ATOM 1435 CD1 LEU A 91 8.730 6.802 5.260 1.00 0.00 C ATOM 1436 CD2 LEU A 91 11.018 6.669 6.258 1.00 0.00 C ATOM 0 H LEU A 91 11.461 5.681 1.862 1.00 0.00 H new ATOM 0 HA LEU A 91 12.600 5.955 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.992 5.580 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.094 4.601 4.608 1.00 0.00 H new ATOM 0 HG LEU A 91 10.517 7.596 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.535 7.685 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.177 6.877 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.410 5.911 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.794 7.555 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.751 5.776 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.083 6.646 6.027 1.00 0.00 H new ATOM 1448 N THR A 92 12.264 3.632 5.647 1.00 0.00 N ATOM 1449 CA THR A 92 12.601 2.353 6.259 1.00 0.00 C ATOM 1450 C THR A 92 11.540 1.934 7.269 1.00 0.00 C ATOM 1451 O THR A 92 10.610 2.690 7.555 1.00 0.00 O ATOM 1452 CB THR A 92 13.973 2.406 6.955 1.00 0.00 C ATOM 1453 OG1 THR A 92 14.450 3.752 7.071 1.00 0.00 O ATOM 1454 CG2 THR A 92 15.002 1.594 6.183 1.00 0.00 C ATOM 0 H THR A 92 11.935 4.340 6.303 1.00 0.00 H new ATOM 0 HA THR A 92 12.643 1.617 5.456 1.00 0.00 H new ATOM 0 HB THR A 92 13.839 1.985 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.322 3.753 7.518 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.964 1.646 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.677 0.555 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.103 1.998 5.176 1.00 0.00 H new ATOM 1462 N ALA A 93 11.681 0.727 7.804 1.00 0.00 N ATOM 1463 CA ALA A 93 10.729 0.210 8.780 1.00 0.00 C ATOM 1464 C ALA A 93 11.285 0.315 10.196 1.00 0.00 C ATOM 1465 O ALA A 93 12.450 0.002 10.442 1.00 0.00 O ATOM 1466 CB ALA A 93 10.358 -1.232 8.466 1.00 0.00 C ATOM 0 H ALA A 93 12.444 0.089 7.579 1.00 0.00 H new ATOM 0 HA ALA A 93 9.828 0.820 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.647 -1.595 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.907 -1.284 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.254 -1.852 8.489 1.00 0.00 H new ATOM 1472 N LEU A 94 10.442 0.760 11.122 1.00 0.00 N ATOM 1473 CA LEU A 94 10.845 0.907 12.515 1.00 0.00 C ATOM 1474 C LEU A 94 10.498 -0.341 13.317 1.00 0.00 C ATOM 1475 O LEU A 94 9.329 -0.699 13.454 1.00 0.00 O ATOM 1476 CB LEU A 94 10.169 2.129 13.137 1.00 0.00 C ATOM 1477 CG LEU A 94 8.749 2.402 12.641 1.00 0.00 C ATOM 1478 CD1 LEU A 94 7.918 3.055 13.735 1.00 0.00 C ATOM 1479 CD2 LEU A 94 8.782 3.280 11.400 1.00 0.00 C ATOM 0 H LEU A 94 9.475 1.025 10.932 1.00 0.00 H new ATOM 0 HA LEU A 94 11.926 1.045 12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.142 1.999 14.219 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.783 3.007 12.937 1.00 0.00 H new ATOM 0 HG LEU A 94 8.285 1.451 12.380 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.910 3.242 13.364 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.869 2.393 14.599 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.378 3.999 14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.764 3.466 11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.264 4.228 11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.342 2.776 10.613 1.00 0.00 H new ATOM 1491 N LEU A 95 11.523 -1.000 13.845 1.00 0.00 N ATOM 1492 CA LEU A 95 11.331 -2.208 14.637 1.00 0.00 C ATOM 1493 C LEU A 95 11.358 -1.890 16.128 1.00 0.00 C ATOM 1494 O LEU A 95 12.386 -1.482 16.665 1.00 0.00 O ATOM 1495 CB LEU A 95 12.413 -3.237 14.301 1.00 0.00 C ATOM 1496 CG LEU A 95 12.068 -4.193 13.159 1.00 0.00 C ATOM 1497 CD1 LEU A 95 11.494 -3.429 11.975 1.00 0.00 C ATOM 1498 CD2 LEU A 95 13.297 -4.985 12.740 1.00 0.00 C ATOM 0 H LEU A 95 12.497 -0.717 13.738 1.00 0.00 H new ATOM 0 HA LEU A 95 10.354 -2.625 14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.330 -2.706 14.045 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.624 -3.825 15.195 1.00 0.00 H new ATOM 0 HG LEU A 95 11.311 -4.893 13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.255 -4.127 11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.588 -2.907 12.283 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.227 -2.705 11.619 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.034 -5.661 11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.075 -4.299 12.405 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.664 -5.563 13.588 1.00 0.00 H new ATOM 1510 N ALA A 96 10.221 -2.079 16.790 1.00 0.00 N ATOM 1511 CA ALA A 96 10.117 -1.810 18.219 1.00 0.00 C ATOM 1512 C ALA A 96 10.510 -0.371 18.533 1.00 0.00 C ATOM 1513 O ALA A 96 11.593 -0.170 19.121 1.00 0.00 O ATOM 1514 CB ALA A 96 10.978 -2.777 19.017 1.00 0.00 C ATOM 1515 OXT ALA A 96 9.732 0.543 18.189 1.00 0.00 O ATOM 0 H ALA A 96 9.360 -2.417 16.360 1.00 0.00 H new ATOM 0 HA ALA A 96 9.076 -1.954 18.509 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.884 -2.556 20.080 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.648 -3.799 18.828 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.020 -2.670 18.715 1.00 0.00 H new TER 1521 ALA A 96