USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 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 17 THR OG1 : rot 180:sc= 1.08 USER MOD Set 1.2: A 65 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.112 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -6:sc= 1.05 USER MOD Single : A 22 HIS : no HD1:sc= -7.99! C(o=-8!,f=-18!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 77:sc= -1.86 USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= -0.185 (180deg=-1.24!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc=0.000254 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.599 9.521 2.337 1.00 0.00 N ATOM 2 CA ALA A 1 -9.928 9.058 1.089 1.00 0.00 C ATOM 3 C ALA A 1 -8.705 8.212 1.452 1.00 0.00 C ATOM 4 O ALA A 1 -8.312 8.132 2.599 1.00 0.00 O ATOM 5 CB ALA A 1 -9.486 10.271 0.268 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.518 9.043 2.435 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.001 9.294 3.157 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.747 10.549 2.291 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.623 8.457 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.995 9.933 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.357 10.873 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.790 10.872 0.853 1.00 0.00 H new ATOM 13 N ILE A 2 -8.100 7.582 0.483 1.00 0.00 N ATOM 14 CA ILE A 2 -6.903 6.744 0.772 1.00 0.00 C ATOM 15 C ILE A 2 -5.930 6.820 -0.405 1.00 0.00 C ATOM 16 O ILE A 2 -6.093 6.145 -1.403 1.00 0.00 O ATOM 17 CB ILE A 2 -7.337 5.291 0.982 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.362 5.226 2.117 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.119 4.442 1.347 1.00 0.00 C ATOM 20 CD1 ILE A 2 -7.688 5.604 3.437 1.00 0.00 C ATOM 0 H ILE A 2 -8.383 7.611 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.412 7.111 1.673 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.784 4.909 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.190 5.904 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.781 4.222 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.428 3.408 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.388 4.489 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.672 4.823 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.418 5.558 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.875 4.908 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.290 6.616 3.366 1.00 0.00 H new ATOM 32 N ASP A 3 -4.918 7.637 -0.299 1.00 0.00 N ATOM 33 CA ASP A 3 -3.935 7.756 -1.413 1.00 0.00 C ATOM 34 C ASP A 3 -2.938 6.598 -1.340 1.00 0.00 C ATOM 35 O ASP A 3 -2.395 6.299 -0.295 1.00 0.00 O ATOM 36 CB ASP A 3 -3.184 9.084 -1.292 1.00 0.00 C ATOM 37 CG ASP A 3 -2.281 9.273 -2.511 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.073 8.305 -3.224 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.811 10.381 -2.710 1.00 0.00 O ATOM 0 H ASP A 3 -4.729 8.227 0.511 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.462 7.722 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.892 9.909 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.588 9.095 -0.380 1.00 0.00 H new ATOM 44 N ILE A 4 -2.694 5.944 -2.443 1.00 0.00 N ATOM 45 CA ILE A 4 -1.732 4.806 -2.436 1.00 0.00 C ATOM 46 C ILE A 4 -0.413 5.249 -3.072 1.00 0.00 C ATOM 47 O ILE A 4 -0.277 5.287 -4.279 1.00 0.00 O ATOM 48 CB ILE A 4 -2.316 3.639 -3.234 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.709 3.301 -2.694 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.407 2.418 -3.094 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.456 2.440 -3.714 1.00 0.00 C ATOM 0 H ILE A 4 -3.119 6.148 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.552 4.489 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.389 3.918 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.624 2.770 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.267 4.217 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.824 1.587 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.415 2.658 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.333 2.138 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.447 2.199 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.553 2.988 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.901 1.518 -3.888 1.00 0.00 H new ATOM 63 N LYS A 5 0.560 5.587 -2.270 1.00 0.00 N ATOM 64 CA LYS A 5 1.868 6.028 -2.832 1.00 0.00 C ATOM 65 C LYS A 5 2.909 4.924 -2.631 1.00 0.00 C ATOM 66 O LYS A 5 2.635 3.900 -2.037 1.00 0.00 O ATOM 67 CB LYS A 5 2.328 7.298 -2.114 1.00 0.00 C ATOM 68 CG LYS A 5 1.116 8.180 -1.807 1.00 0.00 C ATOM 69 CD LYS A 5 1.537 9.650 -1.818 1.00 0.00 C ATOM 70 CE LYS A 5 0.546 10.472 -0.991 1.00 0.00 C ATOM 71 NZ LYS A 5 1.188 10.884 0.289 1.00 0.00 N ATOM 0 H LYS A 5 0.506 5.577 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 5 1.756 6.232 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.845 7.039 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.039 7.842 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.333 8.010 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.699 7.918 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.542 9.754 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.569 10.022 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.230 11.352 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.350 9.885 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.515 11.443 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.468 10.038 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.030 11.459 0.086 1.00 0.00 H new ATOM 85 N ALA A 6 4.101 5.124 -3.121 1.00 0.00 N ATOM 86 CA ALA A 6 5.158 4.087 -2.958 1.00 0.00 C ATOM 87 C ALA A 6 5.726 4.155 -1.537 1.00 0.00 C ATOM 88 O ALA A 6 5.502 5.115 -0.827 1.00 0.00 O ATOM 89 CB ALA A 6 6.280 4.339 -3.968 1.00 0.00 C ATOM 0 H ALA A 6 4.389 5.961 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 6 4.728 3.100 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.054 3.580 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.877 4.291 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.710 5.326 -3.796 1.00 0.00 H new ATOM 95 N PRO A 7 6.447 3.127 -1.167 1.00 0.00 N ATOM 96 CA PRO A 7 7.067 3.031 0.164 1.00 0.00 C ATOM 97 C PRO A 7 8.326 3.902 0.232 1.00 0.00 C ATOM 98 O PRO A 7 8.928 4.217 -0.775 1.00 0.00 O ATOM 99 CB PRO A 7 7.422 1.546 0.289 1.00 0.00 C ATOM 100 CG PRO A 7 7.510 0.997 -1.155 1.00 0.00 C ATOM 101 CD PRO A 7 6.710 1.967 -2.044 1.00 0.00 C ATOM 0 HA PRO A 7 6.416 3.377 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.369 1.415 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.664 1.012 0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.547 0.936 -1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.098 -0.010 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.277 2.257 -2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.783 1.514 -2.394 1.00 0.00 H new ATOM 109 N THR A 8 8.725 4.292 1.411 1.00 0.00 N ATOM 110 CA THR A 8 9.943 5.142 1.542 1.00 0.00 C ATOM 111 C THR A 8 11.162 4.369 1.035 1.00 0.00 C ATOM 112 O THR A 8 11.246 3.164 1.171 1.00 0.00 O ATOM 113 CB THR A 8 10.149 5.515 3.012 1.00 0.00 C ATOM 114 OG1 THR A 8 11.340 6.281 3.141 1.00 0.00 O ATOM 115 CG2 THR A 8 10.264 4.243 3.852 1.00 0.00 C ATOM 0 H THR A 8 8.261 4.059 2.289 1.00 0.00 H new ATOM 0 HA THR A 8 9.818 6.050 0.951 1.00 0.00 H new ATOM 0 HB THR A 8 9.299 6.101 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.473 6.523 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.411 4.510 4.899 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.350 3.657 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.113 3.654 3.506 1.00 0.00 H new ATOM 123 N PHE A 9 12.110 5.052 0.453 1.00 0.00 N ATOM 124 CA PHE A 9 13.323 4.355 -0.059 1.00 0.00 C ATOM 125 C PHE A 9 14.577 5.072 0.450 1.00 0.00 C ATOM 126 O PHE A 9 15.062 5.991 -0.179 1.00 0.00 O ATOM 127 CB PHE A 9 13.312 4.372 -1.590 1.00 0.00 C ATOM 128 CG PHE A 9 12.180 3.512 -2.095 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.976 2.234 -1.556 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.333 3.989 -3.104 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.925 1.435 -2.025 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.282 3.190 -3.573 1.00 0.00 C ATOM 133 CZ PHE A 9 10.078 1.912 -3.034 1.00 0.00 C ATOM 0 H PHE A 9 12.097 6.062 0.310 1.00 0.00 H new ATOM 0 HA PHE A 9 13.326 3.324 0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.196 5.394 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.263 4.003 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.629 1.865 -0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.490 4.973 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.768 0.451 -1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.629 3.559 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.269 1.296 -3.396 1.00 0.00 H new ATOM 143 N PRO A 10 15.063 4.627 1.581 1.00 0.00 N ATOM 144 CA PRO A 10 16.263 5.203 2.211 1.00 0.00 C ATOM 145 C PRO A 10 17.529 4.698 1.512 1.00 0.00 C ATOM 146 O PRO A 10 17.479 4.191 0.408 1.00 0.00 O ATOM 147 CB PRO A 10 16.193 4.688 3.652 1.00 0.00 C ATOM 148 CG PRO A 10 15.305 3.421 3.620 1.00 0.00 C ATOM 149 CD PRO A 10 14.460 3.507 2.334 1.00 0.00 C ATOM 0 HA PRO A 10 16.298 6.291 2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.188 4.455 4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.769 5.443 4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.917 2.519 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.665 3.374 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.501 2.577 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.410 3.697 2.559 1.00 0.00 H new ATOM 157 N GLU A 11 18.661 4.834 2.144 1.00 0.00 N ATOM 158 CA GLU A 11 19.927 4.362 1.514 1.00 0.00 C ATOM 159 C GLU A 11 19.759 2.911 1.058 1.00 0.00 C ATOM 160 O GLU A 11 19.979 2.583 -0.092 1.00 0.00 O ATOM 161 CB GLU A 11 21.066 4.448 2.532 1.00 0.00 C ATOM 162 CG GLU A 11 22.395 4.137 1.840 1.00 0.00 C ATOM 163 CD GLU A 11 23.081 2.970 2.551 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.854 2.811 3.739 1.00 0.00 O ATOM 165 OE2 GLU A 11 23.821 2.256 1.896 1.00 0.00 O ATOM 0 H GLU A 11 18.765 5.251 3.069 1.00 0.00 H new ATOM 0 HA GLU A 11 20.161 4.989 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.098 5.444 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.894 3.744 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.222 3.888 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.040 5.016 1.856 1.00 0.00 H new ATOM 172 N SER A 12 19.374 2.040 1.950 1.00 0.00 N ATOM 173 CA SER A 12 19.194 0.612 1.573 1.00 0.00 C ATOM 174 C SER A 12 18.480 0.523 0.222 1.00 0.00 C ATOM 175 O SER A 12 19.000 -0.021 -0.732 1.00 0.00 O ATOM 176 CB SER A 12 18.356 -0.094 2.639 1.00 0.00 C ATOM 177 OG SER A 12 18.247 -1.474 2.313 1.00 0.00 O ATOM 0 H SER A 12 19.176 2.258 2.927 1.00 0.00 H new ATOM 0 HA SER A 12 20.170 0.132 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.818 0.025 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.365 0.357 2.697 1.00 0.00 H new ATOM 0 HG SER A 12 17.712 -1.930 2.996 1.00 0.00 H new ATOM 183 N ILE A 13 17.288 1.050 0.134 1.00 0.00 N ATOM 184 CA ILE A 13 16.543 0.992 -1.155 1.00 0.00 C ATOM 185 C ILE A 13 16.620 2.352 -1.853 1.00 0.00 C ATOM 186 O ILE A 13 16.169 3.354 -1.333 1.00 0.00 O ATOM 187 CB ILE A 13 15.079 0.644 -0.883 1.00 0.00 C ATOM 188 CG1 ILE A 13 15.009 -0.621 -0.024 1.00 0.00 C ATOM 189 CG2 ILE A 13 14.356 0.399 -2.208 1.00 0.00 C ATOM 190 CD1 ILE A 13 13.641 -0.702 0.656 1.00 0.00 C ATOM 0 H ILE A 13 16.800 1.517 0.898 1.00 0.00 H new ATOM 0 HA ILE A 13 16.987 0.229 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 13 14.601 1.470 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.172 -1.503 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.800 -0.608 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.313 0.151 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.407 1.298 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.833 -0.427 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.591 -1.603 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.496 0.174 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.859 -0.735 -0.103 1.00 0.00 H new ATOM 202 N ALA A 14 17.187 2.396 -3.028 1.00 0.00 N ATOM 203 CA ALA A 14 17.291 3.691 -3.758 1.00 0.00 C ATOM 204 C ALA A 14 16.139 3.808 -4.761 1.00 0.00 C ATOM 205 O ALA A 14 16.019 4.788 -5.469 1.00 0.00 O ATOM 206 CB ALA A 14 18.626 3.749 -4.504 1.00 0.00 C ATOM 0 H ALA A 14 17.583 1.591 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 14 17.236 4.515 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.703 4.696 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.446 3.667 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.681 2.925 -5.216 1.00 0.00 H new ATOM 212 N ASP A 15 15.292 2.816 -4.828 1.00 0.00 N ATOM 213 CA ASP A 15 14.152 2.875 -5.786 1.00 0.00 C ATOM 214 C ASP A 15 13.230 1.677 -5.553 1.00 0.00 C ATOM 215 O ASP A 15 13.405 0.916 -4.621 1.00 0.00 O ATOM 216 CB ASP A 15 14.685 2.836 -7.220 1.00 0.00 C ATOM 217 CG ASP A 15 15.951 1.981 -7.273 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.827 0.768 -7.213 1.00 0.00 O ATOM 219 OD2 ASP A 15 17.025 2.552 -7.374 1.00 0.00 O ATOM 0 H ASP A 15 15.341 1.969 -4.262 1.00 0.00 H new ATOM 0 HA ASP A 15 13.596 3.799 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.929 2.426 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.902 3.847 -7.566 1.00 0.00 H new ATOM 224 N GLY A 16 12.246 1.501 -6.392 1.00 0.00 N ATOM 225 CA GLY A 16 11.313 0.351 -6.217 1.00 0.00 C ATOM 226 C GLY A 16 10.695 -0.017 -7.566 1.00 0.00 C ATOM 227 O GLY A 16 10.849 0.687 -8.544 1.00 0.00 O ATOM 0 H GLY A 16 12.048 2.103 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.848 -0.505 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.529 0.610 -5.505 1.00 0.00 H new ATOM 231 N THR A 17 9.996 -1.119 -7.626 1.00 0.00 N ATOM 232 CA THR A 17 9.369 -1.532 -8.912 1.00 0.00 C ATOM 233 C THR A 17 8.091 -2.322 -8.624 1.00 0.00 C ATOM 234 O THR A 17 8.122 -3.363 -8.000 1.00 0.00 O ATOM 235 CB THR A 17 10.346 -2.412 -9.697 1.00 0.00 C ATOM 236 OG1 THR A 17 11.433 -1.619 -10.151 1.00 0.00 O ATOM 237 CG2 THR A 17 9.627 -3.031 -10.897 1.00 0.00 C ATOM 0 H THR A 17 9.833 -1.749 -6.841 1.00 0.00 H new ATOM 0 HA THR A 17 9.126 -0.646 -9.499 1.00 0.00 H new ATOM 0 HB THR A 17 10.720 -3.207 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.060 -2.180 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.323 -3.657 -11.455 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.793 -3.639 -10.547 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.252 -2.239 -11.545 1.00 0.00 H new ATOM 245 N VAL A 18 6.966 -1.834 -9.069 1.00 0.00 N ATOM 246 CA VAL A 18 5.689 -2.557 -8.817 1.00 0.00 C ATOM 247 C VAL A 18 5.880 -4.047 -9.106 1.00 0.00 C ATOM 248 O VAL A 18 6.873 -4.457 -9.675 1.00 0.00 O ATOM 249 CB VAL A 18 4.596 -1.996 -9.730 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.261 -2.664 -9.400 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.478 -0.486 -9.510 1.00 0.00 C ATOM 0 H VAL A 18 6.876 -0.966 -9.596 1.00 0.00 H new ATOM 0 HA VAL A 18 5.396 -2.424 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 18 4.853 -2.195 -10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.483 -2.264 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.345 -3.740 -9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.002 -2.465 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.700 -0.083 -10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.220 -0.289 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.429 -0.009 -9.745 1.00 0.00 H new ATOM 261 N ALA A 19 4.938 -4.862 -8.720 1.00 0.00 N ATOM 262 CA ALA A 19 5.066 -6.325 -8.972 1.00 0.00 C ATOM 263 C ALA A 19 3.994 -6.769 -9.968 1.00 0.00 C ATOM 264 O ALA A 19 4.283 -7.096 -11.102 1.00 0.00 O ATOM 265 CB ALA A 19 4.889 -7.087 -7.657 1.00 0.00 C ATOM 0 H ALA A 19 4.084 -4.578 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 19 6.053 -6.536 -9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.983 -8.157 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.655 -6.772 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.903 -6.875 -7.243 1.00 0.00 H new ATOM 271 N THR A 20 2.755 -6.787 -9.554 1.00 0.00 N ATOM 272 CA THR A 20 1.668 -7.212 -10.478 1.00 0.00 C ATOM 273 C THR A 20 0.329 -6.660 -9.984 1.00 0.00 C ATOM 274 O THR A 20 0.014 -6.726 -8.812 1.00 0.00 O ATOM 275 CB THR A 20 1.604 -8.741 -10.520 1.00 0.00 C ATOM 276 OG1 THR A 20 2.732 -9.241 -11.225 1.00 0.00 O ATOM 277 CG2 THR A 20 0.321 -9.182 -11.226 1.00 0.00 C ATOM 0 H THR A 20 2.451 -6.526 -8.616 1.00 0.00 H new ATOM 0 HA THR A 20 1.872 -6.827 -11.477 1.00 0.00 H new ATOM 0 HB THR A 20 1.608 -9.133 -9.503 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.238 -8.493 -11.605 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.277 -10.271 -11.255 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.543 -8.798 -10.683 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.313 -8.791 -12.244 1.00 0.00 H new ATOM 285 N TRP A 21 -0.461 -6.115 -10.868 1.00 0.00 N ATOM 286 CA TRP A 21 -1.773 -5.560 -10.458 1.00 0.00 C ATOM 287 C TRP A 21 -2.843 -6.651 -10.552 1.00 0.00 C ATOM 288 O TRP A 21 -3.535 -6.769 -11.544 1.00 0.00 O ATOM 289 CB TRP A 21 -2.130 -4.411 -11.396 1.00 0.00 C ATOM 290 CG TRP A 21 -1.616 -3.125 -10.832 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.437 -2.546 -11.164 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.238 -2.250 -9.848 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.300 -1.372 -10.444 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.380 -1.148 -9.623 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.451 -2.301 -9.134 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.706 -0.136 -8.729 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.787 -1.279 -8.227 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.914 -0.198 -8.026 1.00 0.00 C ATOM 0 H TRP A 21 -0.249 -6.032 -11.862 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.721 -5.200 -9.430 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.699 -4.586 -12.382 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.211 -4.357 -11.526 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.278 -2.936 -11.873 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.504 -0.749 -10.514 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.127 -3.130 -9.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.031 0.693 -8.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.719 -1.326 -7.684 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.175 0.585 -7.329 1.00 0.00 H new ATOM 309 N HIS A 22 -2.978 -7.452 -9.530 1.00 0.00 N ATOM 310 CA HIS A 22 -4.006 -8.543 -9.567 1.00 0.00 C ATOM 311 C HIS A 22 -5.306 -7.999 -10.162 1.00 0.00 C ATOM 312 O HIS A 22 -5.688 -8.342 -11.263 1.00 0.00 O ATOM 313 CB HIS A 22 -4.285 -9.069 -8.152 1.00 0.00 C ATOM 314 CG HIS A 22 -3.030 -9.002 -7.336 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.628 -7.835 -6.713 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.050 -9.927 -7.073 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.451 -8.077 -6.122 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.050 -9.338 -6.305 1.00 0.00 N ATOM 0 H HIS A 22 -2.426 -7.403 -8.673 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.625 -9.359 -10.181 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.070 -8.477 -7.681 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.646 -10.096 -8.199 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.054 -10.953 -7.410 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.892 -7.340 -5.564 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.196 -9.774 -5.957 1.00 0.00 H new ATOM 326 N LYS A 23 -5.990 -7.152 -9.442 1.00 0.00 N ATOM 327 CA LYS A 23 -7.265 -6.588 -9.967 1.00 0.00 C ATOM 328 C LYS A 23 -7.019 -5.174 -10.497 1.00 0.00 C ATOM 329 O LYS A 23 -5.895 -4.721 -10.588 1.00 0.00 O ATOM 330 CB LYS A 23 -8.302 -6.537 -8.843 1.00 0.00 C ATOM 331 CG LYS A 23 -9.441 -7.509 -9.154 1.00 0.00 C ATOM 332 CD LYS A 23 -10.336 -7.659 -7.922 1.00 0.00 C ATOM 333 CE LYS A 23 -10.821 -9.107 -7.816 1.00 0.00 C ATOM 334 NZ LYS A 23 -12.264 -9.175 -8.184 1.00 0.00 N ATOM 0 H LYS A 23 -5.721 -6.827 -8.514 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.635 -7.220 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.837 -6.798 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.692 -5.524 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.025 -7.143 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.037 -8.479 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.785 -7.382 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.188 -6.983 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.236 -9.747 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.675 -9.477 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.595 -10.158 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.816 -8.576 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.390 -8.838 -9.160 1.00 0.00 H new ATOM 348 N LYS A 24 -8.063 -4.473 -10.850 1.00 0.00 N ATOM 349 CA LYS A 24 -7.890 -3.090 -11.375 1.00 0.00 C ATOM 350 C LYS A 24 -8.754 -2.123 -10.559 1.00 0.00 C ATOM 351 O LYS A 24 -9.605 -2.543 -9.801 1.00 0.00 O ATOM 352 CB LYS A 24 -8.322 -3.045 -12.842 1.00 0.00 C ATOM 353 CG LYS A 24 -7.086 -3.107 -13.741 1.00 0.00 C ATOM 354 CD LYS A 24 -7.519 -3.096 -15.208 1.00 0.00 C ATOM 355 CE LYS A 24 -6.695 -4.119 -15.991 1.00 0.00 C ATOM 356 NZ LYS A 24 -6.021 -3.443 -17.136 1.00 0.00 N ATOM 0 H LYS A 24 -9.028 -4.799 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.843 -2.798 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.987 -3.880 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.882 -2.131 -13.039 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.433 -2.259 -13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.513 -4.009 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.580 -3.331 -15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.381 -2.101 -15.632 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.953 -4.580 -15.339 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.340 -4.919 -16.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.461 -4.139 -17.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.738 -3.023 -17.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.394 -2.695 -16.777 1.00 0.00 H new ATOM 370 N PRO A 25 -8.505 -0.851 -10.743 1.00 0.00 N ATOM 371 CA PRO A 25 -9.244 0.212 -10.041 1.00 0.00 C ATOM 372 C PRO A 25 -10.627 0.408 -10.669 1.00 0.00 C ATOM 373 O PRO A 25 -10.763 0.521 -11.872 1.00 0.00 O ATOM 374 CB PRO A 25 -8.370 1.453 -10.246 1.00 0.00 C ATOM 375 CG PRO A 25 -7.503 1.173 -11.496 1.00 0.00 C ATOM 376 CD PRO A 25 -7.465 -0.357 -11.670 1.00 0.00 C ATOM 0 HA PRO A 25 -9.419 -0.011 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.985 2.342 -10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.745 1.637 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.928 1.653 -12.378 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.497 1.574 -11.368 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.678 -0.647 -12.699 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.484 -0.762 -11.421 1.00 0.00 H new ATOM 384 N GLY A 26 -11.653 0.445 -9.865 1.00 0.00 N ATOM 385 CA GLY A 26 -13.026 0.631 -10.416 1.00 0.00 C ATOM 386 C GLY A 26 -13.860 -0.621 -10.139 1.00 0.00 C ATOM 387 O GLY A 26 -15.065 -0.622 -10.293 1.00 0.00 O ATOM 0 H GLY A 26 -11.601 0.355 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.497 1.503 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.977 0.818 -11.489 1.00 0.00 H new ATOM 391 N GLU A 27 -13.228 -1.687 -9.733 1.00 0.00 N ATOM 392 CA GLU A 27 -13.985 -2.939 -9.447 1.00 0.00 C ATOM 393 C GLU A 27 -14.422 -2.945 -7.980 1.00 0.00 C ATOM 394 O GLU A 27 -14.237 -1.982 -7.263 1.00 0.00 O ATOM 395 CB GLU A 27 -13.089 -4.149 -9.718 1.00 0.00 C ATOM 396 CG GLU A 27 -12.421 -3.995 -11.086 1.00 0.00 C ATOM 397 CD GLU A 27 -13.042 -4.985 -12.072 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.374 -6.081 -11.651 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.172 -4.632 -13.233 1.00 0.00 O ATOM 0 H GLU A 27 -12.220 -1.746 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.865 -2.988 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.331 -4.235 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.679 -5.065 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.546 -2.975 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.349 -4.174 -11.001 1.00 0.00 H new ATOM 406 N ALA A 28 -15.001 -4.025 -7.529 1.00 0.00 N ATOM 407 CA ALA A 28 -15.450 -4.091 -6.110 1.00 0.00 C ATOM 408 C ALA A 28 -14.236 -4.296 -5.200 1.00 0.00 C ATOM 409 O ALA A 28 -13.328 -5.039 -5.519 1.00 0.00 O ATOM 410 CB ALA A 28 -16.421 -5.260 -5.936 1.00 0.00 C ATOM 0 H ALA A 28 -15.182 -4.863 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.951 -3.160 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.750 -5.309 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.285 -5.115 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.921 -6.191 -6.202 1.00 0.00 H new ATOM 416 N VAL A 29 -14.213 -3.644 -4.070 1.00 0.00 N ATOM 417 CA VAL A 29 -13.058 -3.804 -3.143 1.00 0.00 C ATOM 418 C VAL A 29 -13.572 -4.153 -1.745 1.00 0.00 C ATOM 419 O VAL A 29 -14.726 -3.946 -1.427 1.00 0.00 O ATOM 420 CB VAL A 29 -12.268 -2.494 -3.084 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.038 -2.680 -2.193 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.821 -2.105 -4.495 1.00 0.00 C ATOM 0 H VAL A 29 -14.943 -3.008 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.410 -4.604 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.899 -1.707 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.475 -1.748 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.355 -2.958 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.406 -3.467 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.258 -1.172 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.189 -2.892 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.697 -1.973 -5.131 1.00 0.00 H new ATOM 432 N LYS A 30 -12.724 -4.681 -0.906 1.00 0.00 N ATOM 433 CA LYS A 30 -13.165 -5.044 0.471 1.00 0.00 C ATOM 434 C LYS A 30 -11.966 -4.997 1.420 1.00 0.00 C ATOM 435 O LYS A 30 -10.885 -5.444 1.092 1.00 0.00 O ATOM 436 CB LYS A 30 -13.754 -6.456 0.463 1.00 0.00 C ATOM 437 CG LYS A 30 -14.688 -6.627 1.662 1.00 0.00 C ATOM 438 CD LYS A 30 -16.058 -6.030 1.332 1.00 0.00 C ATOM 439 CE LYS A 30 -17.150 -7.060 1.631 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.485 -6.405 1.552 1.00 0.00 N ATOM 0 H LYS A 30 -11.745 -4.877 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.923 -4.336 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.300 -6.628 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.954 -7.195 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.790 -7.684 1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.266 -6.134 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.224 -5.127 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.096 -5.738 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.094 -7.883 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.001 -7.487 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.227 -7.104 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.535 -5.634 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.626 -6.018 0.597 1.00 0.00 H new ATOM 454 N ARG A 31 -12.148 -4.455 2.594 1.00 0.00 N ATOM 455 CA ARG A 31 -11.022 -4.375 3.565 1.00 0.00 C ATOM 456 C ARG A 31 -10.249 -5.697 3.565 1.00 0.00 C ATOM 457 O ARG A 31 -10.826 -6.764 3.504 1.00 0.00 O ATOM 458 CB ARG A 31 -11.576 -4.108 4.967 1.00 0.00 C ATOM 459 CG ARG A 31 -10.416 -3.890 5.940 1.00 0.00 C ATOM 460 CD ARG A 31 -10.426 -4.992 7.001 1.00 0.00 C ATOM 461 NE ARG A 31 -11.789 -5.101 7.593 1.00 0.00 N ATOM 462 CZ ARG A 31 -12.370 -6.266 7.684 1.00 0.00 C ATOM 463 NH1 ARG A 31 -11.679 -7.313 8.043 1.00 0.00 N ATOM 464 NH2 ARG A 31 -13.642 -6.383 7.418 1.00 0.00 N ATOM 0 H ARG A 31 -13.031 -4.063 2.922 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.353 -3.564 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.223 -3.231 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.187 -4.949 5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.469 -3.898 5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.504 -2.913 6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.135 -5.943 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.697 -4.768 7.780 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.268 -4.265 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.685 -7.221 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.133 -8.224 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.182 -5.564 7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.096 -7.294 7.489 1.00 0.00 H new ATOM 478 N ASP A 32 -8.948 -5.632 3.634 1.00 0.00 N ATOM 479 CA ASP A 32 -8.140 -6.885 3.638 1.00 0.00 C ATOM 480 C ASP A 32 -8.247 -7.565 2.272 1.00 0.00 C ATOM 481 O ASP A 32 -8.508 -8.748 2.175 1.00 0.00 O ATOM 482 CB ASP A 32 -8.667 -7.828 4.720 1.00 0.00 C ATOM 483 CG ASP A 32 -7.619 -8.904 5.015 1.00 0.00 C ATOM 484 OD1 ASP A 32 -6.552 -8.548 5.488 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.903 -10.064 4.765 1.00 0.00 O ATOM 0 H ASP A 32 -8.410 -4.767 3.688 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.097 -6.644 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.893 -7.267 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.597 -8.292 4.392 1.00 0.00 H new ATOM 490 N GLU A 33 -8.048 -6.827 1.214 1.00 0.00 N ATOM 491 CA GLU A 33 -8.139 -7.432 -0.145 1.00 0.00 C ATOM 492 C GLU A 33 -6.945 -6.976 -0.986 1.00 0.00 C ATOM 493 O GLU A 33 -6.898 -5.857 -1.456 1.00 0.00 O ATOM 494 CB GLU A 33 -9.438 -6.985 -0.818 1.00 0.00 C ATOM 495 CG GLU A 33 -9.690 -7.838 -2.062 1.00 0.00 C ATOM 496 CD GLU A 33 -10.033 -6.929 -3.243 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.043 -6.248 -3.168 1.00 0.00 O ATOM 498 OE2 GLU A 33 -9.281 -6.931 -4.204 1.00 0.00 O ATOM 0 H GLU A 33 -7.826 -5.832 1.232 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.131 -8.519 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.272 -7.082 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.373 -5.932 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.807 -8.434 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.506 -8.536 -1.878 1.00 0.00 H new ATOM 505 N LEU A 34 -5.979 -7.834 -1.176 1.00 0.00 N ATOM 506 CA LEU A 34 -4.788 -7.454 -1.984 1.00 0.00 C ATOM 507 C LEU A 34 -5.235 -6.680 -3.226 1.00 0.00 C ATOM 508 O LEU A 34 -6.326 -6.868 -3.727 1.00 0.00 O ATOM 509 CB LEU A 34 -4.038 -8.716 -2.412 1.00 0.00 C ATOM 510 CG LEU A 34 -2.801 -8.327 -3.223 1.00 0.00 C ATOM 511 CD1 LEU A 34 -1.767 -7.679 -2.301 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.198 -9.580 -3.864 1.00 0.00 C ATOM 0 H LEU A 34 -5.965 -8.784 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.130 -6.826 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.744 -9.292 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.690 -9.354 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.086 -7.620 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.886 -7.402 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.196 -6.787 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.482 -8.385 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.316 -9.304 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.914 -10.287 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.934 -10.042 -4.522 1.00 0.00 H new ATOM 524 N ILE A 35 -4.402 -5.809 -3.728 1.00 0.00 N ATOM 525 CA ILE A 35 -4.782 -5.026 -4.936 1.00 0.00 C ATOM 526 C ILE A 35 -3.561 -4.857 -5.841 1.00 0.00 C ATOM 527 O ILE A 35 -3.656 -4.941 -7.050 1.00 0.00 O ATOM 528 CB ILE A 35 -5.296 -3.649 -4.509 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.137 -3.792 -3.239 1.00 0.00 C ATOM 530 CG2 ILE A 35 -6.156 -3.056 -5.627 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.673 -2.419 -2.825 1.00 0.00 C ATOM 0 H ILE A 35 -3.475 -5.607 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.565 -5.554 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.451 -2.989 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.964 -4.480 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.534 -4.216 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.522 -2.075 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.557 -2.955 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.002 -3.714 -5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.272 -2.520 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.838 -1.745 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.291 -2.013 -3.626 1.00 0.00 H new ATOM 543 N VAL A 36 -2.413 -4.616 -5.269 1.00 0.00 N ATOM 544 CA VAL A 36 -1.189 -4.443 -6.100 1.00 0.00 C ATOM 545 C VAL A 36 0.040 -4.864 -5.294 1.00 0.00 C ATOM 546 O VAL A 36 0.249 -4.416 -4.183 1.00 0.00 O ATOM 547 CB VAL A 36 -1.054 -2.974 -6.507 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.797 -2.121 -5.264 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.117 -2.822 -7.480 1.00 0.00 C ATOM 0 H VAL A 36 -2.270 -4.532 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.266 -5.063 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.974 -2.644 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.701 -1.075 -5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.630 -2.230 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.123 -2.450 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.215 -1.776 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.037 -3.152 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.065 -3.430 -8.366 1.00 0.00 H new ATOM 559 N ASP A 37 0.856 -5.723 -5.842 1.00 0.00 N ATOM 560 CA ASP A 37 2.071 -6.171 -5.106 1.00 0.00 C ATOM 561 C ASP A 37 3.237 -5.237 -5.434 1.00 0.00 C ATOM 562 O ASP A 37 3.192 -4.484 -6.387 1.00 0.00 O ATOM 563 CB ASP A 37 2.424 -7.598 -5.527 1.00 0.00 C ATOM 564 CG ASP A 37 1.686 -8.593 -4.630 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.412 -8.245 -3.493 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.407 -9.687 -5.095 1.00 0.00 O ATOM 0 H ASP A 37 0.733 -6.134 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 37 1.878 -6.147 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.149 -7.759 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.500 -7.754 -5.453 1.00 0.00 H new ATOM 571 N ILE A 38 4.282 -5.279 -4.654 1.00 0.00 N ATOM 572 CA ILE A 38 5.449 -4.394 -4.924 1.00 0.00 C ATOM 573 C ILE A 38 6.744 -5.190 -4.755 1.00 0.00 C ATOM 574 O ILE A 38 6.806 -6.140 -4.001 1.00 0.00 O ATOM 575 CB ILE A 38 5.438 -3.222 -3.940 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.215 -2.343 -4.210 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.711 -2.393 -4.119 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.974 -1.421 -3.014 1.00 0.00 C ATOM 0 H ILE A 38 4.378 -5.888 -3.841 1.00 0.00 H new ATOM 0 HA ILE A 38 5.388 -4.013 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 38 5.394 -3.604 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.371 -1.752 -5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.338 -2.966 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.703 -1.558 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.583 -3.019 -3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.756 -2.010 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.103 -0.795 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.799 -2.021 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.848 -0.788 -2.860 1.00 0.00 H new ATOM 590 N GLU A 39 7.780 -4.809 -5.451 1.00 0.00 N ATOM 591 CA GLU A 39 9.071 -5.545 -5.329 1.00 0.00 C ATOM 592 C GLU A 39 10.230 -4.546 -5.347 1.00 0.00 C ATOM 593 O GLU A 39 10.266 -3.637 -6.151 1.00 0.00 O ATOM 594 CB GLU A 39 9.216 -6.519 -6.502 1.00 0.00 C ATOM 595 CG GLU A 39 8.685 -5.865 -7.778 1.00 0.00 C ATOM 596 CD GLU A 39 8.607 -6.910 -8.892 1.00 0.00 C ATOM 597 OE1 GLU A 39 8.029 -7.958 -8.655 1.00 0.00 O ATOM 598 OE2 GLU A 39 9.125 -6.644 -9.965 1.00 0.00 O ATOM 0 H GLU A 39 7.789 -4.021 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 39 9.086 -6.102 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.262 -6.796 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.666 -7.437 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.699 -5.437 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.338 -5.046 -8.078 1.00 0.00 H new ATOM 605 N THR A 40 11.178 -4.710 -4.465 1.00 0.00 N ATOM 606 CA THR A 40 12.334 -3.769 -4.432 1.00 0.00 C ATOM 607 C THR A 40 13.641 -4.569 -4.461 1.00 0.00 C ATOM 608 O THR A 40 13.659 -5.729 -4.823 1.00 0.00 O ATOM 609 CB THR A 40 12.264 -2.925 -3.152 1.00 0.00 C ATOM 610 OG1 THR A 40 13.098 -1.784 -3.292 1.00 0.00 O ATOM 611 CG2 THR A 40 12.728 -3.756 -1.953 1.00 0.00 C ATOM 0 H THR A 40 11.202 -5.453 -3.767 1.00 0.00 H new ATOM 0 HA THR A 40 12.299 -3.109 -5.299 1.00 0.00 H new ATOM 0 HB THR A 40 11.235 -2.607 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.656 -1.124 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.676 -3.150 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.084 -4.628 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.756 -4.082 -2.112 1.00 0.00 H new ATOM 619 N ASP A 41 14.733 -3.957 -4.088 1.00 0.00 N ATOM 620 CA ASP A 41 16.036 -4.679 -4.097 1.00 0.00 C ATOM 621 C ASP A 41 15.847 -6.091 -3.539 1.00 0.00 C ATOM 622 O ASP A 41 16.069 -7.073 -4.220 1.00 0.00 O ATOM 623 CB ASP A 41 17.045 -3.920 -3.233 1.00 0.00 C ATOM 624 CG ASP A 41 18.400 -4.628 -3.287 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.553 -5.626 -2.602 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.261 -4.161 -4.015 1.00 0.00 O ATOM 0 H ASP A 41 14.778 -2.987 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 41 16.406 -4.742 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.145 -2.894 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.691 -3.868 -2.203 1.00 0.00 H new ATOM 631 N LYS A 42 15.439 -6.202 -2.305 1.00 0.00 N ATOM 632 CA LYS A 42 15.237 -7.551 -1.705 1.00 0.00 C ATOM 633 C LYS A 42 14.121 -7.484 -0.661 1.00 0.00 C ATOM 634 O LYS A 42 14.241 -8.015 0.425 1.00 0.00 O ATOM 635 CB LYS A 42 16.534 -8.011 -1.037 1.00 0.00 C ATOM 636 CG LYS A 42 17.549 -8.409 -2.110 1.00 0.00 C ATOM 637 CD LYS A 42 18.923 -8.604 -1.466 1.00 0.00 C ATOM 638 CE LYS A 42 19.366 -10.058 -1.640 1.00 0.00 C ATOM 639 NZ LYS A 42 18.289 -10.967 -1.156 1.00 0.00 N ATOM 0 H LYS A 42 15.237 -5.417 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 42 14.960 -8.258 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.939 -7.211 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.336 -8.856 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.232 -9.329 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.602 -7.638 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.650 -7.934 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.879 -8.350 -0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.583 -10.260 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.286 -10.238 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.714 -11.838 -0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.746 -10.493 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.655 -11.205 -1.945 1.00 0.00 H new ATOM 653 N VAL A 43 13.034 -6.835 -0.980 1.00 0.00 N ATOM 654 CA VAL A 43 11.913 -6.734 -0.005 1.00 0.00 C ATOM 655 C VAL A 43 10.598 -6.521 -0.759 1.00 0.00 C ATOM 656 O VAL A 43 10.349 -5.463 -1.302 1.00 0.00 O ATOM 657 CB VAL A 43 12.158 -5.553 0.936 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.033 -5.481 1.970 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.496 -5.744 1.653 1.00 0.00 C ATOM 0 H VAL A 43 12.875 -6.371 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 43 11.854 -7.654 0.576 1.00 0.00 H new ATOM 0 HB VAL A 43 12.181 -4.628 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.208 -4.639 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.079 -5.347 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.009 -6.405 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.672 -4.903 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.471 -6.669 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.299 -5.796 0.918 1.00 0.00 H new ATOM 669 N VAL A 44 9.756 -7.517 -0.795 1.00 0.00 N ATOM 670 CA VAL A 44 8.459 -7.370 -1.515 1.00 0.00 C ATOM 671 C VAL A 44 7.362 -6.995 -0.515 1.00 0.00 C ATOM 672 O VAL A 44 7.314 -7.503 0.588 1.00 0.00 O ATOM 673 CB VAL A 44 8.100 -8.692 -2.194 1.00 0.00 C ATOM 674 CG1 VAL A 44 8.153 -9.825 -1.168 1.00 0.00 C ATOM 675 CG2 VAL A 44 6.688 -8.598 -2.775 1.00 0.00 C ATOM 0 H VAL A 44 9.910 -8.426 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 44 8.548 -6.588 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 44 8.812 -8.894 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.897 -10.767 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.158 -9.892 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.442 -9.624 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.430 -9.540 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.977 -8.396 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.649 -7.791 -3.507 1.00 0.00 H new ATOM 685 N MET A 45 6.480 -6.110 -0.892 1.00 0.00 N ATOM 686 CA MET A 45 5.388 -5.704 0.036 1.00 0.00 C ATOM 687 C MET A 45 4.048 -5.750 -0.701 1.00 0.00 C ATOM 688 O MET A 45 3.924 -5.276 -1.813 1.00 0.00 O ATOM 689 CB MET A 45 5.646 -4.281 0.536 1.00 0.00 C ATOM 690 CG MET A 45 6.643 -4.319 1.696 1.00 0.00 C ATOM 691 SD MET A 45 5.984 -3.369 3.089 1.00 0.00 S ATOM 692 CE MET A 45 6.991 -4.135 4.382 1.00 0.00 C ATOM 0 H MET A 45 6.469 -5.651 -1.803 1.00 0.00 H new ATOM 0 HA MET A 45 5.360 -6.388 0.884 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.038 -3.665 -0.274 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.711 -3.824 0.861 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.826 -5.350 1.999 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.601 -3.905 1.380 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.744 -3.691 5.346 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.790 -5.206 4.414 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.047 -3.971 4.166 1.00 0.00 H new ATOM 702 N GLU A 46 3.044 -6.317 -0.090 1.00 0.00 N ATOM 703 CA GLU A 46 1.712 -6.392 -0.756 1.00 0.00 C ATOM 704 C GLU A 46 0.898 -5.145 -0.409 1.00 0.00 C ATOM 705 O GLU A 46 1.070 -4.550 0.636 1.00 0.00 O ATOM 706 CB GLU A 46 0.969 -7.638 -0.272 1.00 0.00 C ATOM 707 CG GLU A 46 1.819 -8.880 -0.544 1.00 0.00 C ATOM 708 CD GLU A 46 1.371 -10.019 0.374 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.182 -10.286 0.415 1.00 0.00 O ATOM 710 OE2 GLU A 46 2.225 -10.603 1.020 1.00 0.00 O ATOM 0 H GLU A 46 3.088 -6.731 0.841 1.00 0.00 H new ATOM 0 HA GLU A 46 1.848 -6.448 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.757 -7.556 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.009 -7.723 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.720 -9.180 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.872 -8.656 -0.375 1.00 0.00 H new ATOM 717 N VAL A 47 0.011 -4.742 -1.278 1.00 0.00 N ATOM 718 CA VAL A 47 -0.813 -3.534 -0.997 1.00 0.00 C ATOM 719 C VAL A 47 -2.297 -3.902 -1.059 1.00 0.00 C ATOM 720 O VAL A 47 -2.863 -4.064 -2.122 1.00 0.00 O ATOM 721 CB VAL A 47 -0.511 -2.457 -2.040 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.437 -1.259 -1.821 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.944 -2.007 -1.900 1.00 0.00 C ATOM 0 H VAL A 47 -0.178 -5.198 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.574 -3.155 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.673 -2.863 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.221 -0.492 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.475 -1.578 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.276 -0.852 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.161 -1.239 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.105 -1.601 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.605 -2.859 -2.056 1.00 0.00 H new ATOM 733 N LEU A 48 -2.932 -4.034 0.074 1.00 0.00 N ATOM 734 CA LEU A 48 -4.373 -4.389 0.084 1.00 0.00 C ATOM 735 C LEU A 48 -5.202 -3.137 0.377 1.00 0.00 C ATOM 736 O LEU A 48 -4.674 -2.096 0.715 1.00 0.00 O ATOM 737 CB LEU A 48 -4.643 -5.444 1.164 1.00 0.00 C ATOM 738 CG LEU A 48 -3.530 -5.445 2.217 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.544 -4.118 2.978 1.00 0.00 C ATOM 740 CD2 LEU A 48 -3.762 -6.595 3.199 1.00 0.00 C ATOM 0 H LEU A 48 -2.510 -3.910 0.994 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.650 -4.794 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.602 -5.244 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.716 -6.430 0.705 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.565 -5.572 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.752 -4.120 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.382 -3.297 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.508 -3.991 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.971 -6.598 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.727 -6.466 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.753 -7.542 2.659 1.00 0.00 H new ATOM 752 N ALA A 49 -6.497 -3.229 0.250 1.00 0.00 N ATOM 753 CA ALA A 49 -7.358 -2.043 0.522 1.00 0.00 C ATOM 754 C ALA A 49 -7.657 -1.963 2.020 1.00 0.00 C ATOM 755 O ALA A 49 -7.985 -2.948 2.652 1.00 0.00 O ATOM 756 CB ALA A 49 -8.671 -2.177 -0.254 1.00 0.00 C ATOM 0 H ALA A 49 -6.996 -4.073 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.840 -1.138 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.301 -1.310 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.458 -2.234 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.190 -3.082 0.062 1.00 0.00 H new ATOM 762 N GLU A 50 -7.548 -0.796 2.596 1.00 0.00 N ATOM 763 CA GLU A 50 -7.826 -0.654 4.053 1.00 0.00 C ATOM 764 C GLU A 50 -9.329 -0.461 4.268 1.00 0.00 C ATOM 765 O GLU A 50 -9.772 -0.126 5.349 1.00 0.00 O ATOM 766 CB GLU A 50 -7.071 0.559 4.600 1.00 0.00 C ATOM 767 CG GLU A 50 -6.198 0.127 5.779 1.00 0.00 C ATOM 768 CD GLU A 50 -7.029 0.142 7.064 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.996 0.886 7.111 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.686 -0.590 7.977 1.00 0.00 O ATOM 0 H GLU A 50 -7.278 0.065 2.120 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.497 -1.552 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.452 0.999 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.776 1.327 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.800 -0.872 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.344 0.798 5.878 1.00 0.00 H new ATOM 777 N ALA A 51 -10.115 -0.667 3.247 1.00 0.00 N ATOM 778 CA ALA A 51 -11.588 -0.494 3.396 1.00 0.00 C ATOM 779 C ALA A 51 -12.258 -0.632 2.026 1.00 0.00 C ATOM 780 O ALA A 51 -11.652 -0.392 1.001 1.00 0.00 O ATOM 781 CB ALA A 51 -11.883 0.893 3.970 1.00 0.00 C ATOM 0 H ALA A 51 -9.802 -0.947 2.318 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.978 -1.257 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.960 1.020 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.405 0.993 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.494 1.656 3.296 1.00 0.00 H new ATOM 787 N ASP A 52 -13.505 -1.017 2.002 1.00 0.00 N ATOM 788 CA ASP A 52 -14.211 -1.171 0.699 1.00 0.00 C ATOM 789 C ASP A 52 -14.421 0.209 0.072 1.00 0.00 C ATOM 790 O ASP A 52 -14.187 1.230 0.689 1.00 0.00 O ATOM 791 CB ASP A 52 -15.559 -1.876 0.935 1.00 0.00 C ATOM 792 CG ASP A 52 -16.608 -1.428 -0.091 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.653 -2.019 -1.158 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.344 -0.503 0.209 1.00 0.00 O ATOM 0 H ASP A 52 -14.065 -1.231 2.827 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.615 -1.776 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.423 -2.956 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.915 -1.658 1.942 1.00 0.00 H new ATOM 799 N GLY A 53 -14.863 0.241 -1.152 1.00 0.00 N ATOM 800 CA GLY A 53 -15.094 1.547 -1.832 1.00 0.00 C ATOM 801 C GLY A 53 -14.830 1.396 -3.331 1.00 0.00 C ATOM 802 O GLY A 53 -15.084 0.361 -3.915 1.00 0.00 O ATOM 0 H GLY A 53 -15.076 -0.583 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.118 1.880 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.438 2.309 -1.411 1.00 0.00 H new ATOM 806 N VAL A 54 -14.322 2.421 -3.960 1.00 0.00 N ATOM 807 CA VAL A 54 -14.043 2.334 -5.421 1.00 0.00 C ATOM 808 C VAL A 54 -12.701 3.002 -5.725 1.00 0.00 C ATOM 809 O VAL A 54 -12.465 4.137 -5.362 1.00 0.00 O ATOM 810 CB VAL A 54 -15.154 3.045 -6.196 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.734 3.207 -7.658 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.437 2.213 -6.124 1.00 0.00 C ATOM 0 H VAL A 54 -14.089 3.314 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.004 1.287 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.331 4.027 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.526 3.714 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.820 3.798 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.557 2.225 -8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.230 2.718 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.259 1.231 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.737 2.097 -5.083 1.00 0.00 H new ATOM 822 N ILE A 55 -11.818 2.307 -6.388 1.00 0.00 N ATOM 823 CA ILE A 55 -10.492 2.904 -6.714 1.00 0.00 C ATOM 824 C ILE A 55 -10.656 3.920 -7.845 1.00 0.00 C ATOM 825 O ILE A 55 -11.711 4.038 -8.438 1.00 0.00 O ATOM 826 CB ILE A 55 -9.523 1.802 -7.157 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.897 0.476 -6.483 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.097 2.187 -6.758 1.00 0.00 C ATOM 829 CD1 ILE A 55 -10.179 0.714 -4.998 1.00 0.00 C ATOM 0 H ILE A 55 -11.957 1.352 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.094 3.401 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.584 1.686 -8.239 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.775 0.047 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.086 -0.243 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.407 1.404 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.825 3.126 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.042 2.306 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.444 -0.230 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.289 1.124 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.004 1.418 -4.893 1.00 0.00 H new ATOM 841 N ALA A 56 -9.623 4.657 -8.149 1.00 0.00 N ATOM 842 CA ALA A 56 -9.723 5.665 -9.242 1.00 0.00 C ATOM 843 C ALA A 56 -9.003 5.142 -10.487 1.00 0.00 C ATOM 844 O ALA A 56 -9.607 4.914 -11.516 1.00 0.00 O ATOM 845 CB ALA A 56 -9.073 6.974 -8.790 1.00 0.00 C ATOM 0 H ALA A 56 -8.715 4.605 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.773 5.842 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.146 7.711 -9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.586 7.348 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.024 6.797 -8.555 1.00 0.00 H new ATOM 851 N GLU A 57 -7.715 4.949 -10.401 1.00 0.00 N ATOM 852 CA GLU A 57 -6.957 4.441 -11.579 1.00 0.00 C ATOM 853 C GLU A 57 -5.481 4.288 -11.209 1.00 0.00 C ATOM 854 O GLU A 57 -4.998 4.899 -10.276 1.00 0.00 O ATOM 855 CB GLU A 57 -7.092 5.431 -12.738 1.00 0.00 C ATOM 856 CG GLU A 57 -7.511 4.682 -14.004 1.00 0.00 C ATOM 857 CD GLU A 57 -6.479 4.926 -15.107 1.00 0.00 C ATOM 858 OE1 GLU A 57 -5.318 5.103 -14.776 1.00 0.00 O ATOM 859 OE2 GLU A 57 -6.867 4.931 -16.264 1.00 0.00 O ATOM 0 H GLU A 57 -7.155 5.121 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.358 3.473 -11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.830 6.195 -12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.145 5.945 -12.903 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.593 3.615 -13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.495 5.020 -14.330 1.00 0.00 H new ATOM 866 N ILE A 58 -4.759 3.476 -11.932 1.00 0.00 N ATOM 867 CA ILE A 58 -3.314 3.286 -11.621 1.00 0.00 C ATOM 868 C ILE A 58 -2.480 4.248 -12.467 1.00 0.00 C ATOM 869 O ILE A 58 -2.819 4.556 -13.592 1.00 0.00 O ATOM 870 CB ILE A 58 -2.910 1.845 -11.939 1.00 0.00 C ATOM 871 CG1 ILE A 58 -3.977 0.886 -11.403 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.567 1.533 -11.277 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.675 0.194 -12.575 1.00 0.00 C ATOM 0 H ILE A 58 -5.107 2.936 -12.724 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.140 3.488 -10.564 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.820 1.723 -13.018 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.519 0.144 -10.749 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.705 1.433 -10.804 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.279 0.506 -11.504 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.807 2.215 -11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.656 1.655 -10.198 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.435 -0.489 -12.194 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.146 0.943 -13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.942 -0.366 -13.156 1.00 0.00 H new ATOM 885 N VAL A 59 -1.389 4.727 -11.934 1.00 0.00 N ATOM 886 CA VAL A 59 -0.533 5.669 -12.709 1.00 0.00 C ATOM 887 C VAL A 59 0.506 4.877 -13.505 1.00 0.00 C ATOM 888 O VAL A 59 0.645 5.043 -14.700 1.00 0.00 O ATOM 889 CB VAL A 59 0.179 6.621 -11.747 1.00 0.00 C ATOM 890 CG1 VAL A 59 1.265 7.392 -12.500 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.834 7.609 -11.164 1.00 0.00 C ATOM 0 H VAL A 59 -1.054 4.507 -10.996 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.155 6.244 -13.395 1.00 0.00 H new ATOM 0 HB VAL A 59 0.634 6.047 -10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.772 8.070 -11.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.988 6.690 -12.916 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.810 7.966 -13.307 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.327 8.288 -10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.289 8.182 -11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.608 7.062 -10.626 1.00 0.00 H new ATOM 901 N LYS A 60 1.237 4.016 -12.851 1.00 0.00 N ATOM 902 CA LYS A 60 2.266 3.213 -13.570 1.00 0.00 C ATOM 903 C LYS A 60 1.798 1.760 -13.670 1.00 0.00 C ATOM 904 O LYS A 60 0.979 1.307 -12.896 1.00 0.00 O ATOM 905 CB LYS A 60 3.587 3.272 -12.802 1.00 0.00 C ATOM 906 CG LYS A 60 4.720 3.640 -13.762 1.00 0.00 C ATOM 907 CD LYS A 60 4.508 5.063 -14.282 1.00 0.00 C ATOM 908 CE LYS A 60 5.350 5.279 -15.541 1.00 0.00 C ATOM 909 NZ LYS A 60 4.571 4.852 -16.738 1.00 0.00 N ATOM 0 H LYS A 60 1.166 3.834 -11.850 1.00 0.00 H new ATOM 0 HA LYS A 60 2.410 3.619 -14.571 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.521 4.008 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.791 2.309 -12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.681 3.567 -13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.747 2.938 -14.595 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.454 5.226 -14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.788 5.786 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.628 6.329 -15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.277 4.709 -15.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.143 4.998 -17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.327 3.845 -16.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.699 5.415 -16.803 1.00 0.00 H new ATOM 923 N ASN A 61 2.311 1.025 -14.619 1.00 0.00 N ATOM 924 CA ASN A 61 1.895 -0.398 -14.767 1.00 0.00 C ATOM 925 C ASN A 61 2.797 -1.285 -13.908 1.00 0.00 C ATOM 926 O ASN A 61 3.913 -0.927 -13.588 1.00 0.00 O ATOM 927 CB ASN A 61 2.017 -0.814 -16.235 1.00 0.00 C ATOM 928 CG ASN A 61 0.824 -0.269 -17.022 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.249 -0.837 -16.992 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.968 0.818 -17.730 1.00 0.00 N ATOM 0 H ASN A 61 3.000 1.349 -15.298 1.00 0.00 H new ATOM 0 HA ASN A 61 0.861 -0.511 -14.442 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.948 -0.433 -16.655 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.052 -1.901 -16.314 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.179 1.191 -18.258 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.869 1.295 -17.755 1.00 0.00 H new ATOM 937 N GLU A 62 2.323 -2.441 -13.532 1.00 0.00 N ATOM 938 CA GLU A 62 3.154 -3.351 -12.693 1.00 0.00 C ATOM 939 C GLU A 62 4.426 -3.726 -13.457 1.00 0.00 C ATOM 940 O GLU A 62 4.421 -3.859 -14.664 1.00 0.00 O ATOM 941 CB GLU A 62 2.359 -4.618 -12.372 1.00 0.00 C ATOM 942 CG GLU A 62 1.822 -5.227 -13.669 1.00 0.00 C ATOM 943 CD GLU A 62 2.792 -6.301 -14.167 1.00 0.00 C ATOM 944 OE1 GLU A 62 3.466 -6.893 -13.339 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.843 -6.515 -15.366 1.00 0.00 O ATOM 0 H GLU A 62 1.396 -2.795 -13.769 1.00 0.00 H new ATOM 0 HA GLU A 62 3.422 -2.847 -11.765 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.994 -5.338 -11.856 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.534 -4.382 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.837 -5.662 -13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.702 -4.451 -14.425 1.00 0.00 H new ATOM 952 N GLY A 63 5.517 -3.898 -12.761 1.00 0.00 N ATOM 953 CA GLY A 63 6.788 -4.264 -13.448 1.00 0.00 C ATOM 954 C GLY A 63 7.601 -2.998 -13.728 1.00 0.00 C ATOM 955 O GLY A 63 8.761 -3.059 -14.081 1.00 0.00 O ATOM 0 H GLY A 63 5.583 -3.801 -11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.365 -4.949 -12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.572 -4.784 -14.381 1.00 0.00 H new ATOM 959 N ASP A 64 6.999 -1.850 -13.574 1.00 0.00 N ATOM 960 CA ASP A 64 7.737 -0.582 -13.832 1.00 0.00 C ATOM 961 C ASP A 64 8.429 -0.128 -12.545 1.00 0.00 C ATOM 962 O ASP A 64 8.208 -0.670 -11.480 1.00 0.00 O ATOM 963 CB ASP A 64 6.747 0.488 -14.329 1.00 0.00 C ATOM 964 CG ASP A 64 7.197 1.894 -13.914 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.159 2.182 -12.729 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.571 2.657 -14.789 1.00 0.00 O ATOM 0 H ASP A 64 6.029 -1.736 -13.281 1.00 0.00 H new ATOM 0 HA ASP A 64 8.497 -0.737 -14.598 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.665 0.435 -15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.755 0.286 -13.924 1.00 0.00 H new ATOM 971 N THR A 65 9.265 0.865 -12.642 1.00 0.00 N ATOM 972 CA THR A 65 9.980 1.366 -11.435 1.00 0.00 C ATOM 973 C THR A 65 9.478 2.770 -11.091 1.00 0.00 C ATOM 974 O THR A 65 9.129 3.544 -11.959 1.00 0.00 O ATOM 975 CB THR A 65 11.483 1.415 -11.715 1.00 0.00 C ATOM 976 OG1 THR A 65 11.931 0.127 -12.115 1.00 0.00 O ATOM 977 CG2 THR A 65 12.226 1.845 -10.448 1.00 0.00 C ATOM 0 H THR A 65 9.486 1.355 -13.509 1.00 0.00 H new ATOM 0 HA THR A 65 9.789 0.697 -10.596 1.00 0.00 H new ATOM 0 HB THR A 65 11.681 2.133 -12.511 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.947 -0.470 -11.338 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.297 1.880 -10.648 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.882 2.833 -10.142 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.029 1.129 -9.650 1.00 0.00 H new ATOM 985 N VAL A 66 9.439 3.104 -9.831 1.00 0.00 N ATOM 986 CA VAL A 66 8.960 4.457 -9.433 1.00 0.00 C ATOM 987 C VAL A 66 9.974 5.098 -8.483 1.00 0.00 C ATOM 988 O VAL A 66 11.021 4.545 -8.210 1.00 0.00 O ATOM 989 CB VAL A 66 7.609 4.333 -8.729 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.569 3.786 -9.709 1.00 0.00 C ATOM 991 CG2 VAL A 66 7.739 3.378 -7.541 1.00 0.00 C ATOM 0 H VAL A 66 9.718 2.498 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 66 8.851 5.079 -10.321 1.00 0.00 H new ATOM 0 HB VAL A 66 7.294 5.315 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.606 3.698 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.475 4.465 -10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.884 2.805 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.776 3.289 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.055 2.397 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.479 3.766 -6.841 1.00 0.00 H new ATOM 1001 N LEU A 67 9.672 6.262 -7.975 1.00 0.00 N ATOM 1002 CA LEU A 67 10.618 6.937 -7.043 1.00 0.00 C ATOM 1003 C LEU A 67 9.963 7.081 -5.667 1.00 0.00 C ATOM 1004 O LEU A 67 8.801 6.776 -5.487 1.00 0.00 O ATOM 1005 CB LEU A 67 10.970 8.323 -7.588 1.00 0.00 C ATOM 1006 CG LEU A 67 12.077 8.194 -8.635 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.454 7.932 -10.008 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.885 9.493 -8.683 1.00 0.00 C ATOM 0 H LEU A 67 8.811 6.774 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 67 11.526 6.341 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.088 8.786 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.297 8.972 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 67 12.733 7.365 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.243 7.840 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.876 7.008 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.798 8.761 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.675 9.403 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.228 10.321 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.329 9.682 -7.706 1.00 0.00 H new ATOM 1020 N SER A 68 10.700 7.543 -4.695 1.00 0.00 N ATOM 1021 CA SER A 68 10.120 7.705 -3.332 1.00 0.00 C ATOM 1022 C SER A 68 9.000 8.748 -3.377 1.00 0.00 C ATOM 1023 O SER A 68 9.194 9.862 -3.822 1.00 0.00 O ATOM 1024 CB SER A 68 11.210 8.169 -2.365 1.00 0.00 C ATOM 1025 OG SER A 68 10.941 7.646 -1.070 1.00 0.00 O ATOM 0 H SER A 68 11.679 7.815 -4.786 1.00 0.00 H new ATOM 0 HA SER A 68 9.716 6.751 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.187 7.831 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.243 9.258 -2.331 1.00 0.00 H new ATOM 0 HG SER A 68 11.638 7.940 -0.447 1.00 0.00 H new ATOM 1031 N GLY A 69 7.831 8.396 -2.917 1.00 0.00 N ATOM 1032 CA GLY A 69 6.701 9.369 -2.933 1.00 0.00 C ATOM 1033 C GLY A 69 5.984 9.297 -4.282 1.00 0.00 C ATOM 1034 O GLY A 69 5.276 10.206 -4.669 1.00 0.00 O ATOM 0 H GLY A 69 7.609 7.478 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.003 9.145 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.074 10.379 -2.761 1.00 0.00 H new ATOM 1038 N GLU A 70 6.160 8.222 -5.001 1.00 0.00 N ATOM 1039 CA GLU A 70 5.487 8.094 -6.325 1.00 0.00 C ATOM 1040 C GLU A 70 4.046 7.619 -6.121 1.00 0.00 C ATOM 1041 O GLU A 70 3.803 6.507 -5.698 1.00 0.00 O ATOM 1042 CB GLU A 70 6.242 7.077 -7.184 1.00 0.00 C ATOM 1043 CG GLU A 70 5.574 6.972 -8.556 1.00 0.00 C ATOM 1044 CD GLU A 70 6.363 7.797 -9.573 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.336 8.417 -9.176 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.982 7.795 -10.732 1.00 0.00 O ATOM 0 H GLU A 70 6.740 7.428 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 70 5.483 9.062 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.283 7.382 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.246 6.103 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.531 5.930 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.546 7.331 -8.500 1.00 0.00 H new ATOM 1053 N LEU A 71 3.090 8.455 -6.418 1.00 0.00 N ATOM 1054 CA LEU A 71 1.666 8.052 -6.241 1.00 0.00 C ATOM 1055 C LEU A 71 1.241 7.154 -7.405 1.00 0.00 C ATOM 1056 O LEU A 71 1.421 7.491 -8.558 1.00 0.00 O ATOM 1057 CB LEU A 71 0.782 9.301 -6.211 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.657 8.900 -5.887 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.437 10.129 -5.417 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.321 8.328 -7.143 1.00 0.00 C ATOM 0 H LEU A 71 3.233 9.400 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 71 1.557 7.507 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.152 10.003 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.821 9.810 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.655 8.147 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.463 9.842 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.965 10.540 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.439 10.882 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.347 8.041 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.322 9.082 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.767 7.452 -7.481 1.00 0.00 H new ATOM 1072 N LEU A 72 0.680 6.012 -7.112 1.00 0.00 N ATOM 1073 CA LEU A 72 0.246 5.095 -8.203 1.00 0.00 C ATOM 1074 C LEU A 72 -1.247 5.294 -8.471 1.00 0.00 C ATOM 1075 O LEU A 72 -1.638 5.823 -9.494 1.00 0.00 O ATOM 1076 CB LEU A 72 0.500 3.646 -7.782 1.00 0.00 C ATOM 1077 CG LEU A 72 1.953 3.491 -7.330 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.086 2.247 -6.452 1.00 0.00 C ATOM 1079 CD2 LEU A 72 2.855 3.346 -8.558 1.00 0.00 C ATOM 0 H LEU A 72 0.504 5.675 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 72 0.811 5.314 -9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.175 3.368 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.294 2.973 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 72 2.251 4.371 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.122 2.138 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.443 2.349 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.788 1.366 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.891 3.235 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.556 2.466 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.762 4.233 -9.185 1.00 0.00 H new ATOM 1091 N GLY A 73 -2.084 4.875 -7.563 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.551 5.041 -7.767 1.00 0.00 C ATOM 1093 C GLY A 73 -4.163 5.723 -6.542 1.00 0.00 C ATOM 1094 O GLY A 73 -3.563 5.782 -5.488 1.00 0.00 O ATOM 0 H GLY A 73 -1.816 4.425 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.740 5.637 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.019 4.070 -7.927 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.355 6.239 -6.673 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.003 6.917 -5.517 1.00 0.00 C ATOM 1100 C LYS A 74 -7.385 6.305 -5.275 1.00 0.00 C ATOM 1101 O LYS A 74 -8.052 5.873 -6.195 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.153 8.410 -5.818 1.00 0.00 C ATOM 1103 CG LYS A 74 -7.112 8.601 -6.994 1.00 0.00 C ATOM 1104 CD LYS A 74 -7.536 10.069 -7.075 1.00 0.00 C ATOM 1105 CE LYS A 74 -9.024 10.190 -6.741 1.00 0.00 C ATOM 1106 NZ LYS A 74 -9.309 11.563 -6.239 1.00 0.00 N ATOM 0 H LYS A 74 -5.907 6.220 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.386 6.786 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.530 8.933 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.181 8.843 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.629 8.299 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.988 7.965 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.947 10.668 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.344 10.459 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.625 9.983 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.300 9.451 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.320 11.646 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.746 11.744 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.060 12.259 -6.971 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.820 6.265 -4.046 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.159 5.681 -3.748 1.00 0.00 C ATOM 1122 C LEU A 75 -10.220 6.782 -3.804 1.00 0.00 C ATOM 1123 O LEU A 75 -9.909 7.957 -3.818 1.00 0.00 O ATOM 1124 CB LEU A 75 -9.143 5.060 -2.349 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.405 4.218 -2.150 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.050 2.938 -1.392 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -11.428 5.020 -1.343 1.00 0.00 C ATOM 0 H LEU A 75 -7.307 6.611 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.393 4.913 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.256 4.439 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.092 5.843 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.827 3.960 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.949 2.338 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.319 2.367 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.629 3.196 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.328 4.422 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.005 5.277 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.681 5.933 -1.881 1.00 0.00 H new ATOM 1139 N THR A 76 -11.471 6.412 -3.837 1.00 0.00 N ATOM 1140 CA THR A 76 -12.549 7.438 -3.893 1.00 0.00 C ATOM 1141 C THR A 76 -12.957 7.834 -2.478 1.00 0.00 C ATOM 1142 O THR A 76 -12.214 7.672 -1.529 1.00 0.00 O ATOM 1143 CB THR A 76 -13.764 6.871 -4.643 1.00 0.00 C ATOM 1144 OG1 THR A 76 -14.571 7.940 -5.117 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.589 5.975 -3.715 1.00 0.00 C ATOM 0 H THR A 76 -11.792 5.444 -3.828 1.00 0.00 H new ATOM 0 HA THR A 76 -12.180 8.318 -4.419 1.00 0.00 H new ATOM 0 HB THR A 76 -13.414 6.276 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.345 7.578 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.447 5.580 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.971 5.149 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.937 6.557 -2.862 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.136 8.351 -2.341 1.00 0.00 N ATOM 1154 CA GLU A 77 -14.625 8.768 -0.997 1.00 0.00 C ATOM 1155 C GLU A 77 -15.112 7.540 -0.226 1.00 0.00 C ATOM 1156 O GLU A 77 -15.353 6.494 -0.794 1.00 0.00 O ATOM 1157 CB GLU A 77 -15.781 9.759 -1.159 1.00 0.00 C ATOM 1158 CG GLU A 77 -15.224 11.145 -1.491 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.195 12.000 -0.222 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -16.181 11.991 0.496 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -14.189 12.648 0.009 1.00 0.00 O ATOM 0 H GLU A 77 -14.793 8.507 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.812 9.243 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.451 9.426 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.368 9.802 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.220 11.056 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.841 11.624 -2.251 1.00 0.00 H new ATOM 1168 N GLY A 78 -15.257 7.657 1.065 1.00 0.00 N ATOM 1169 CA GLY A 78 -15.727 6.496 1.871 1.00 0.00 C ATOM 1170 C GLY A 78 -16.770 6.966 2.887 1.00 0.00 C ATOM 1171 O GLY A 78 -17.874 7.331 2.535 1.00 0.00 O ATOM 0 H GLY A 78 -15.070 8.507 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -16.157 5.737 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.885 6.033 2.386 1.00 0.00 H new ATOM 1175 N GLY A 79 -16.429 6.959 4.147 1.00 0.00 N ATOM 1176 CA GLY A 79 -17.401 7.407 5.184 1.00 0.00 C ATOM 1177 C GLY A 79 -18.005 6.186 5.880 1.00 0.00 C ATOM 1178 O GLY A 79 -18.582 5.361 5.190 1.00 0.00 O ATOM 0 H GLY A 79 -15.520 6.663 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.902 8.045 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.189 8.004 4.725 1.00 0.00 H new TER 1182 GLY A 79