USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 817 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 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -64:sc= 0.499 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.67) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.728) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -138:sc= 0.0735 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 170:sc= 0.071 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.791 -30.809 -6.131 1.00 0.00 N ATOM 2 CA GLY A 1 -2.389 -30.873 -5.617 1.00 0.00 C ATOM 3 C GLY A 1 -2.124 -29.875 -4.494 1.00 0.00 C ATOM 4 O GLY A 1 -2.390 -30.197 -3.304 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.914 -31.508 -6.891 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.454 -31.018 -5.358 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.982 -29.856 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.185 -31.881 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.697 -30.682 -6.437 1.00 0.00 H new ATOM 10 N ALA A 2 -1.573 -28.628 -4.908 1.00 0.00 N ATOM 11 CA ALA A 2 -1.204 -27.445 -4.001 1.00 0.00 C ATOM 12 C ALA A 2 -2.211 -26.221 -4.139 1.00 0.00 C ATOM 13 O ALA A 2 -2.605 -25.824 -5.293 1.00 0.00 O ATOM 14 CB ALA A 2 0.287 -27.005 -4.248 1.00 0.00 C ATOM 0 H ALA A 2 -1.378 -28.433 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.295 -27.789 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.531 -26.166 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.954 -27.839 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.410 -26.705 -5.289 1.00 0.00 H new ATOM 20 N MET A 3 -2.645 -25.654 -2.899 1.00 0.00 N ATOM 21 CA MET A 3 -3.614 -24.457 -2.730 1.00 0.00 C ATOM 22 C MET A 3 -2.897 -23.103 -2.356 1.00 0.00 C ATOM 23 O MET A 3 -2.037 -23.047 -1.414 1.00 0.00 O ATOM 24 CB MET A 3 -4.853 -24.780 -1.774 1.00 0.00 C ATOM 25 CG MET A 3 -6.006 -25.544 -2.449 1.00 0.00 C ATOM 26 SD MET A 3 -7.317 -26.012 -1.305 1.00 0.00 S ATOM 27 CE MET A 3 -8.442 -26.862 -2.412 1.00 0.00 C ATOM 0 H MET A 3 -2.327 -26.022 -2.003 1.00 0.00 H new ATOM 0 HA MET A 3 -4.031 -24.298 -3.724 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.497 -25.364 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 3 -5.241 -23.842 -1.376 1.00 0.00 H new ATOM 0 HG2 MET A 3 -6.428 -24.925 -3.241 1.00 0.00 H new ATOM 0 HG3 MET A 3 -5.609 -26.442 -2.923 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.308 -27.213 -1.851 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.769 -26.177 -3.194 1.00 0.00 H new ATOM 0 HE3 MET A 3 -7.933 -27.713 -2.864 1.00 0.00 H new ATOM 37 N GLU A 4 -3.281 -22.016 -3.173 1.00 0.00 N ATOM 38 CA GLU A 4 -2.735 -20.569 -3.127 1.00 0.00 C ATOM 39 C GLU A 4 -3.884 -19.500 -2.831 1.00 0.00 C ATOM 40 O GLU A 4 -5.105 -19.792 -3.040 1.00 0.00 O ATOM 41 CB GLU A 4 -1.909 -20.173 -4.484 1.00 0.00 C ATOM 42 CG GLU A 4 -0.556 -20.954 -4.827 1.00 0.00 C ATOM 43 CD GLU A 4 0.707 -20.587 -3.973 1.00 0.00 C ATOM 44 OE1 GLU A 4 0.929 -21.231 -2.917 1.00 0.00 O ATOM 45 OE2 GLU A 4 1.466 -19.672 -4.384 1.00 0.00 O ATOM 0 H GLU A 4 -3.993 -22.127 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.033 -20.539 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.585 -20.301 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.670 -19.111 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.743 -22.022 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.319 -20.779 -5.876 1.00 0.00 H new ATOM 52 N MET A 5 -3.440 -18.227 -2.369 1.00 0.00 N ATOM 53 CA MET A 5 -4.307 -17.012 -1.960 1.00 0.00 C ATOM 54 C MET A 5 -4.948 -16.157 -3.214 1.00 0.00 C ATOM 55 O MET A 5 -4.545 -16.378 -4.395 1.00 0.00 O ATOM 56 CB MET A 5 -3.581 -16.122 -0.776 1.00 0.00 C ATOM 57 CG MET A 5 -2.187 -15.444 -1.045 1.00 0.00 C ATOM 58 SD MET A 5 -1.533 -14.607 0.414 1.00 0.00 S ATOM 59 CE MET A 5 0.031 -14.000 -0.213 1.00 0.00 C ATOM 0 H MET A 5 -2.445 -18.025 -2.273 1.00 0.00 H new ATOM 0 HA MET A 5 -5.211 -17.416 -1.505 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.276 -15.332 -0.492 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.464 -16.771 0.092 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.476 -16.201 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.287 -14.725 -1.858 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.554 -13.459 0.576 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.642 -14.841 -0.543 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.149 -13.331 -1.054 1.00 0.00 H new ATOM 69 N GLU A 6 -5.927 -15.174 -2.874 1.00 0.00 N ATOM 70 CA GLU A 6 -6.763 -14.333 -3.853 1.00 0.00 C ATOM 71 C GLU A 6 -6.332 -12.812 -3.885 1.00 0.00 C ATOM 72 O GLU A 6 -6.488 -12.068 -2.874 1.00 0.00 O ATOM 73 CB GLU A 6 -8.390 -14.596 -3.781 1.00 0.00 C ATOM 74 CG GLU A 6 -9.166 -14.418 -2.387 1.00 0.00 C ATOM 75 CD GLU A 6 -10.694 -14.626 -2.476 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.159 -15.779 -2.291 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.426 -13.626 -2.706 1.00 0.00 O ATOM 0 H GLU A 6 -6.145 -14.957 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.508 -14.716 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.860 -13.927 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.570 -15.614 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.757 -15.124 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.970 -13.418 -2.001 1.00 0.00 H new ATOM 84 N TYR A 7 -5.777 -12.402 -5.102 1.00 0.00 N ATOM 85 CA TYR A 7 -5.147 -11.027 -5.407 1.00 0.00 C ATOM 86 C TYR A 7 -6.111 -10.060 -6.192 1.00 0.00 C ATOM 87 O TYR A 7 -6.900 -10.520 -7.096 1.00 0.00 O ATOM 88 CB TYR A 7 -3.750 -11.199 -6.205 1.00 0.00 C ATOM 89 CG TYR A 7 -2.570 -12.028 -5.540 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.488 -13.439 -5.643 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.553 -11.380 -4.864 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.435 -14.142 -5.091 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.486 -12.088 -4.303 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.434 -13.464 -4.425 1.00 0.00 C ATOM 95 OH TYR A 7 0.619 -14.161 -3.876 1.00 0.00 O ATOM 0 H TYR A 7 -5.753 -13.023 -5.911 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.956 -10.560 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.976 -11.664 -7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.369 -10.200 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.266 -13.977 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.583 -10.305 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.395 -15.218 -5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.296 -11.561 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 7 1.236 -13.534 -3.444 1.00 0.00 H new ATOM 105 N GLU A 8 -6.033 -8.683 -5.805 1.00 0.00 N ATOM 106 CA GLU A 8 -6.913 -7.560 -6.379 1.00 0.00 C ATOM 107 C GLU A 8 -6.010 -6.349 -6.919 1.00 0.00 C ATOM 108 O GLU A 8 -5.040 -5.899 -6.229 1.00 0.00 O ATOM 109 CB GLU A 8 -8.039 -7.099 -5.286 1.00 0.00 C ATOM 110 CG GLU A 8 -9.369 -6.427 -5.837 1.00 0.00 C ATOM 111 CD GLU A 8 -10.391 -6.034 -4.745 1.00 0.00 C ATOM 112 OE1 GLU A 8 -11.269 -6.874 -4.408 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.332 -4.876 -4.251 1.00 0.00 O ATOM 0 H GLU A 8 -5.371 -8.350 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.461 -7.936 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.322 -7.977 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.570 -6.398 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.102 -5.535 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.847 -7.116 -6.533 1.00 0.00 H new ATOM 120 N GLU A 9 -6.368 -5.878 -8.210 1.00 0.00 N ATOM 121 CA GLU A 9 -5.753 -4.691 -8.944 1.00 0.00 C ATOM 122 C GLU A 9 -6.720 -3.418 -8.972 1.00 0.00 C ATOM 123 O GLU A 9 -7.836 -3.474 -9.601 1.00 0.00 O ATOM 124 CB GLU A 9 -5.091 -5.080 -10.397 1.00 0.00 C ATOM 125 CG GLU A 9 -5.990 -5.771 -11.542 1.00 0.00 C ATOM 126 CD GLU A 9 -5.228 -6.081 -12.849 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.202 -5.204 -13.754 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.685 -7.210 -12.977 1.00 0.00 O ATOM 0 H GLU A 9 -7.100 -6.330 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.895 -4.381 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.679 -4.163 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.251 -5.746 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.407 -6.699 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.830 -5.116 -11.772 1.00 0.00 H new ATOM 135 N ILE A 10 -6.277 -2.296 -8.224 1.00 0.00 N ATOM 136 CA ILE A 10 -7.057 -0.962 -8.086 1.00 0.00 C ATOM 137 C ILE A 10 -6.251 0.213 -8.865 1.00 0.00 C ATOM 138 O ILE A 10 -4.993 0.272 -8.806 1.00 0.00 O ATOM 139 CB ILE A 10 -7.424 -0.606 -6.444 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.283 -1.787 -5.738 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.148 0.832 -6.177 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.892 -2.112 -4.259 1.00 0.00 C ATOM 0 H ILE A 10 -5.393 -2.294 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.032 -1.050 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.439 -0.536 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.337 -1.511 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.176 -2.695 -6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.334 0.953 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.500 1.636 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.095 0.868 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.526 -2.915 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.849 -2.425 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.028 -1.223 -3.643 1.00 0.00 H new ATOM 154 N THR A 11 -7.068 1.107 -9.597 1.00 0.00 N ATOM 155 CA THR A 11 -6.597 2.371 -10.316 1.00 0.00 C ATOM 156 C THR A 11 -7.399 3.622 -9.712 1.00 0.00 C ATOM 157 O THR A 11 -8.677 3.672 -9.745 1.00 0.00 O ATOM 158 CB THR A 11 -6.712 2.285 -11.973 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.397 0.951 -12.437 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.683 3.233 -12.691 1.00 0.00 C ATOM 0 H THR A 11 -8.072 0.957 -9.696 1.00 0.00 H new ATOM 0 HA THR A 11 -5.529 2.491 -10.134 1.00 0.00 H new ATOM 0 HB THR A 11 -7.735 2.576 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.471 0.918 -13.414 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.797 3.142 -13.771 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.869 4.265 -12.392 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.669 2.951 -12.408 1.00 0.00 H new ATOM 168 N LEU A 12 -6.560 4.599 -9.156 1.00 0.00 N ATOM 169 CA LEU A 12 -6.972 5.912 -8.520 1.00 0.00 C ATOM 170 C LEU A 12 -6.402 7.140 -9.313 1.00 0.00 C ATOM 171 O LEU A 12 -5.253 7.081 -9.868 1.00 0.00 O ATOM 172 CB LEU A 12 -6.474 6.036 -6.952 1.00 0.00 C ATOM 173 CG LEU A 12 -7.172 5.268 -5.747 1.00 0.00 C ATOM 174 CD1 LEU A 12 -6.244 5.345 -4.559 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.543 5.897 -5.331 1.00 0.00 C ATOM 0 H LEU A 12 -5.547 4.477 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.062 5.922 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.425 5.740 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.509 7.096 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.366 4.245 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.693 4.827 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.293 4.875 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.075 6.389 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.969 5.328 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.390 6.930 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.227 5.872 -6.179 1.00 0.00 H new ATOM 187 N GLU A 13 -7.270 8.257 -9.395 1.00 0.00 N ATOM 188 CA GLU A 13 -6.856 9.647 -9.846 1.00 0.00 C ATOM 189 C GLU A 13 -6.499 10.561 -8.603 1.00 0.00 C ATOM 190 O GLU A 13 -7.255 10.584 -7.575 1.00 0.00 O ATOM 191 CB GLU A 13 -7.853 10.360 -10.946 1.00 0.00 C ATOM 192 CG GLU A 13 -9.420 10.517 -10.710 1.00 0.00 C ATOM 193 CD GLU A 13 -9.908 11.579 -9.670 1.00 0.00 C ATOM 194 OE1 GLU A 13 -10.105 12.758 -10.061 1.00 0.00 O ATOM 195 OE2 GLU A 13 -10.104 11.212 -8.486 1.00 0.00 O ATOM 0 H GLU A 13 -8.258 8.198 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.942 9.514 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.462 11.363 -11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.732 9.809 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.879 10.755 -11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.809 9.546 -10.403 1.00 0.00 H new ATOM 202 N ARG A 14 -5.338 11.309 -8.756 1.00 0.00 N ATOM 203 CA ARG A 14 -4.623 12.179 -7.702 1.00 0.00 C ATOM 204 C ARG A 14 -5.418 13.433 -7.166 1.00 0.00 C ATOM 205 O ARG A 14 -5.646 14.452 -7.906 1.00 0.00 O ATOM 206 CB ARG A 14 -3.110 12.455 -8.058 1.00 0.00 C ATOM 207 CG ARG A 14 -2.090 11.384 -7.548 1.00 0.00 C ATOM 208 CD ARG A 14 -0.605 11.797 -7.758 1.00 0.00 C ATOM 209 NE ARG A 14 -0.077 12.847 -6.749 1.00 0.00 N ATOM 210 CZ ARG A 14 1.095 13.639 -6.793 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.989 13.630 -7.831 1.00 0.00 N ATOM 212 NH2 ARG A 14 1.340 14.450 -5.774 1.00 0.00 N ATOM 0 H ARG A 14 -4.847 11.330 -9.650 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.609 11.547 -6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.018 12.531 -9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.829 13.424 -7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.263 11.204 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.274 10.442 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.019 10.905 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.491 12.193 -8.767 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.664 12.989 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.829 13.026 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.815 14.227 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.692 14.491 -4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.177 15.034 -5.776 1.00 0.00 H new ATOM 226 N GLY A 15 -5.891 13.255 -5.826 1.00 0.00 N ATOM 227 CA GLY A 15 -6.777 14.246 -5.057 1.00 0.00 C ATOM 228 C GLY A 15 -6.094 15.521 -4.446 1.00 0.00 C ATOM 229 O GLY A 15 -4.838 15.669 -4.490 1.00 0.00 O ATOM 0 H GLY A 15 -5.660 12.427 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.567 14.580 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.259 13.703 -4.244 1.00 0.00 H new ATOM 233 N ASN A 16 -6.998 16.432 -3.863 1.00 0.00 N ATOM 234 CA ASN A 16 -6.660 17.799 -3.185 1.00 0.00 C ATOM 235 C ASN A 16 -6.214 17.691 -1.641 1.00 0.00 C ATOM 236 O ASN A 16 -5.420 18.561 -1.158 1.00 0.00 O ATOM 237 CB ASN A 16 -7.862 18.863 -3.364 1.00 0.00 C ATOM 238 CG ASN A 16 -8.095 19.399 -4.812 1.00 0.00 C ATOM 239 OD1 ASN A 16 -8.851 18.807 -5.594 1.00 0.00 O ATOM 240 ND2 ASN A 16 -7.469 20.535 -5.147 1.00 0.00 N ATOM 0 H ASN A 16 -8.000 16.241 -3.847 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.781 18.163 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.785 18.399 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.668 19.713 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.608 20.940 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.853 20.995 -4.476 1.00 0.00 H new ATOM 247 N SER A 17 -6.713 16.559 -0.908 1.00 0.00 N ATOM 248 CA SER A 17 -6.427 16.222 0.561 1.00 0.00 C ATOM 249 C SER A 17 -5.172 15.225 0.818 1.00 0.00 C ATOM 250 O SER A 17 -4.586 15.261 1.956 1.00 0.00 O ATOM 251 CB SER A 17 -7.759 15.733 1.305 1.00 0.00 C ATOM 252 OG SER A 17 -8.377 14.582 0.692 1.00 0.00 O ATOM 0 H SER A 17 -7.324 15.870 -1.347 1.00 0.00 H new ATOM 0 HA SER A 17 -6.099 17.160 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.519 15.497 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.477 16.553 1.323 1.00 0.00 H new ATOM 0 HG SER A 17 -9.181 14.336 1.195 1.00 0.00 H new ATOM 258 N GLY A 18 -4.741 14.381 -0.284 1.00 0.00 N ATOM 259 CA GLY A 18 -3.594 13.408 -0.219 1.00 0.00 C ATOM 260 C GLY A 18 -4.048 11.940 -0.303 1.00 0.00 C ATOM 261 O GLY A 18 -3.482 11.066 0.384 1.00 0.00 O ATOM 0 H GLY A 18 -5.200 14.395 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.901 13.616 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.047 13.561 0.711 1.00 0.00 H new ATOM 265 N LEU A 19 -5.145 11.697 -1.214 1.00 0.00 N ATOM 266 CA LEU A 19 -5.848 10.366 -1.639 1.00 0.00 C ATOM 267 C LEU A 19 -6.803 9.646 -0.593 1.00 0.00 C ATOM 268 O LEU A 19 -7.704 8.875 -1.015 1.00 0.00 O ATOM 269 CB LEU A 19 -4.906 9.346 -2.503 1.00 0.00 C ATOM 270 CG LEU A 19 -4.176 9.890 -3.755 1.00 0.00 C ATOM 271 CD1 LEU A 19 -2.874 9.151 -3.906 1.00 0.00 C ATOM 272 CD2 LEU A 19 -5.018 9.659 -5.002 1.00 0.00 C ATOM 0 H LEU A 19 -5.577 12.487 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.586 10.759 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.150 8.943 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.529 8.510 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.004 10.960 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.345 9.521 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.261 9.310 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.072 8.086 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.491 10.047 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.194 8.591 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.973 10.174 -4.897 1.00 0.00 H new ATOM 284 N GLY A 20 -6.583 9.928 0.774 1.00 0.00 N ATOM 285 CA GLY A 20 -7.429 9.421 1.925 1.00 0.00 C ATOM 286 C GLY A 20 -6.917 8.165 2.675 1.00 0.00 C ATOM 287 O GLY A 20 -7.760 7.421 3.236 1.00 0.00 O ATOM 0 H GLY A 20 -5.809 10.515 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.534 10.229 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.426 9.204 1.542 1.00 0.00 H new ATOM 291 N PHE A 21 -5.488 7.924 2.675 1.00 0.00 N ATOM 292 CA PHE A 21 -4.738 6.807 3.396 1.00 0.00 C ATOM 293 C PHE A 21 -3.207 7.262 3.679 1.00 0.00 C ATOM 294 O PHE A 21 -2.773 8.353 3.175 1.00 0.00 O ATOM 295 CB PHE A 21 -4.865 5.347 2.585 1.00 0.00 C ATOM 296 CG PHE A 21 -4.132 5.094 1.177 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.588 5.668 -0.046 1.00 0.00 C ATOM 298 CD2 PHE A 21 -3.045 4.220 1.118 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.959 5.366 -1.255 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.418 3.933 -0.094 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.877 4.503 -1.271 1.00 0.00 C ATOM 0 H PHE A 21 -4.853 8.530 2.156 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.205 6.633 4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.511 4.575 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.928 5.167 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.430 6.344 -0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.684 3.759 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.316 5.804 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.571 3.263 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.388 4.273 -2.206 1.00 0.00 H new ATOM 311 N SER A 22 -2.411 6.439 4.559 1.00 0.00 N ATOM 312 CA SER A 22 -0.907 6.568 4.760 1.00 0.00 C ATOM 313 C SER A 22 -0.225 5.141 4.766 1.00 0.00 C ATOM 314 O SER A 22 -0.826 4.144 5.310 1.00 0.00 O ATOM 315 CB SER A 22 -0.530 7.405 6.046 1.00 0.00 C ATOM 316 OG SER A 22 -0.985 8.752 5.986 1.00 0.00 O ATOM 0 H SER A 22 -2.821 5.693 5.121 1.00 0.00 H new ATOM 0 HA SER A 22 -0.515 7.132 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.957 6.922 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.553 7.398 6.173 1.00 0.00 H new ATOM 0 HG SER A 22 -0.530 9.219 5.255 1.00 0.00 H new ATOM 322 N ILE A 23 1.070 5.046 4.150 1.00 0.00 N ATOM 323 CA ILE A 23 1.899 3.721 3.977 1.00 0.00 C ATOM 324 C ILE A 23 3.318 3.615 4.617 1.00 0.00 C ATOM 325 O ILE A 23 4.224 4.435 4.325 1.00 0.00 O ATOM 326 CB ILE A 23 1.804 2.945 2.542 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.817 3.813 1.159 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.573 2.109 2.614 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.109 4.591 0.706 1.00 0.00 C ATOM 0 H ILE A 23 1.551 5.862 3.772 1.00 0.00 H new ATOM 0 HA ILE A 23 1.277 3.146 4.663 1.00 0.00 H new ATOM 0 HB ILE A 23 2.741 2.396 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.554 3.131 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.012 4.545 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.450 1.561 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.660 1.403 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.294 2.750 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.914 5.104 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.379 5.322 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.930 3.886 0.572 1.00 0.00 H new ATOM 341 N ALA A 24 3.482 2.469 5.476 1.00 0.00 N ATOM 342 CA ALA A 24 4.754 2.151 6.274 1.00 0.00 C ATOM 343 C ALA A 24 5.584 0.998 5.587 1.00 0.00 C ATOM 344 O ALA A 24 4.991 -0.033 5.147 1.00 0.00 O ATOM 345 CB ALA A 24 4.454 1.880 7.828 1.00 0.00 C ATOM 0 H ALA A 24 2.744 1.778 5.612 1.00 0.00 H new ATOM 0 HA ALA A 24 5.383 3.041 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.388 1.660 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.994 2.764 8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.777 1.032 7.925 1.00 0.00 H new ATOM 351 N GLY A 25 6.946 1.256 5.440 1.00 0.00 N ATOM 352 CA GLY A 25 7.959 0.305 4.827 1.00 0.00 C ATOM 353 C GLY A 25 9.409 0.567 5.284 1.00 0.00 C ATOM 354 O GLY A 25 9.676 1.609 5.986 1.00 0.00 O ATOM 0 H GLY A 25 7.366 2.133 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.686 -0.718 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.909 0.385 3.741 1.00 0.00 H new ATOM 358 N GLY A 26 10.336 -0.437 4.968 1.00 0.00 N ATOM 359 CA GLY A 26 11.798 -0.274 5.282 1.00 0.00 C ATOM 360 C GLY A 26 12.753 -1.417 4.999 1.00 0.00 C ATOM 361 O GLY A 26 12.529 -2.542 5.491 1.00 0.00 O ATOM 0 H GLY A 26 10.094 -1.320 4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.156 0.595 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.880 -0.034 6.342 1.00 0.00 H new ATOM 365 N THR A 27 13.853 -1.089 4.183 1.00 0.00 N ATOM 366 CA THR A 27 15.165 -1.935 4.058 1.00 0.00 C ATOM 367 C THR A 27 16.340 -1.403 4.991 1.00 0.00 C ATOM 368 O THR A 27 17.173 -2.235 5.483 1.00 0.00 O ATOM 369 CB THR A 27 15.713 -2.236 2.574 1.00 0.00 C ATOM 370 OG1 THR A 27 15.733 -1.078 1.717 1.00 0.00 O ATOM 371 CG2 THR A 27 15.013 -3.430 1.911 1.00 0.00 C ATOM 0 H THR A 27 13.867 -0.251 3.601 1.00 0.00 H new ATOM 0 HA THR A 27 14.825 -2.906 4.419 1.00 0.00 H new ATOM 0 HB THR A 27 16.756 -2.519 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.077 -1.330 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.424 -3.585 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.173 -4.325 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.944 -3.229 1.836 1.00 0.00 H new ATOM 379 N ASP A 28 16.347 0.009 5.252 1.00 0.00 N ATOM 380 CA ASP A 28 17.348 0.726 6.172 1.00 0.00 C ATOM 381 C ASP A 28 16.682 1.257 7.525 1.00 0.00 C ATOM 382 O ASP A 28 17.330 1.172 8.611 1.00 0.00 O ATOM 383 CB ASP A 28 18.195 1.884 5.429 1.00 0.00 C ATOM 384 CG ASP A 28 19.230 1.391 4.379 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.859 1.266 3.186 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.402 1.153 4.759 1.00 0.00 O ATOM 0 H ASP A 28 15.669 0.644 4.832 1.00 0.00 H new ATOM 0 HA ASP A 28 18.067 -0.044 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.497 2.560 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.721 2.467 6.185 1.00 0.00 H new ATOM 391 N ASN A 29 15.343 1.769 7.416 1.00 0.00 N ATOM 392 CA ASN A 29 14.485 2.359 8.546 1.00 0.00 C ATOM 393 C ASN A 29 13.353 1.319 9.143 1.00 0.00 C ATOM 394 O ASN A 29 12.797 0.536 8.330 1.00 0.00 O ATOM 395 CB ASN A 29 13.823 3.761 8.134 1.00 0.00 C ATOM 396 CG ASN A 29 14.801 4.974 8.018 1.00 0.00 C ATOM 397 OD1 ASN A 29 15.056 5.679 9.002 1.00 0.00 O ATOM 398 ND2 ASN A 29 15.315 5.225 6.806 1.00 0.00 N ATOM 0 H ASN A 29 14.849 1.772 6.523 1.00 0.00 H new ATOM 0 HA ASN A 29 15.185 2.541 9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.318 3.634 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.056 4.007 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.940 6.020 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.082 4.621 6.018 1.00 0.00 H new ATOM 405 N PRO A 30 12.997 1.267 10.649 1.00 0.00 N ATOM 406 CA PRO A 30 11.872 0.342 11.265 1.00 0.00 C ATOM 407 C PRO A 30 10.313 0.560 10.770 1.00 0.00 C ATOM 408 O PRO A 30 9.991 1.595 10.132 1.00 0.00 O ATOM 409 CB PRO A 30 12.038 0.585 12.826 1.00 0.00 C ATOM 410 CG PRO A 30 12.829 1.864 13.004 1.00 0.00 C ATOM 411 CD PRO A 30 13.735 1.989 11.821 1.00 0.00 C ATOM 0 HA PRO A 30 12.023 -0.681 10.920 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.063 0.666 13.307 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.555 -0.254 13.292 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.162 2.723 13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.405 1.835 13.929 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.923 3.035 11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.703 1.528 12.018 1.00 0.00 H new ATOM 419 N HIS A 31 9.427 -0.533 11.054 1.00 0.00 N ATOM 420 CA HIS A 31 7.929 -0.599 10.886 1.00 0.00 C ATOM 421 C HIS A 31 7.220 -0.954 12.319 1.00 0.00 C ATOM 422 O HIS A 31 6.345 -0.175 12.767 1.00 0.00 O ATOM 423 CB HIS A 31 7.546 -1.685 9.701 1.00 0.00 C ATOM 424 CG HIS A 31 6.043 -1.828 9.215 1.00 0.00 C ATOM 425 ND1 HIS A 31 5.655 -1.594 7.933 1.00 0.00 N ATOM 426 CD2 HIS A 31 4.884 -2.223 9.866 1.00 0.00 C ATOM 427 CE1 HIS A 31 4.353 -1.823 7.814 1.00 0.00 C ATOM 428 NE2 HIS A 31 3.879 -2.199 8.967 1.00 0.00 N ATOM 0 H HIS A 31 9.794 -1.411 11.421 1.00 0.00 H new ATOM 0 HA HIS A 31 7.545 0.372 10.571 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.148 -1.437 8.827 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.871 -2.667 10.044 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.801 -2.500 10.907 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.779 -1.715 6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.906 -2.437 9.159 1.00 0.00 H new ATOM 437 N ILE A 32 7.664 -2.149 12.991 1.00 0.00 N ATOM 438 CA ILE A 32 7.048 -2.803 14.211 1.00 0.00 C ATOM 439 C ILE A 32 8.155 -2.997 15.441 1.00 0.00 C ATOM 440 O ILE A 32 7.905 -3.789 16.411 1.00 0.00 O ATOM 441 CB ILE A 32 6.236 -4.232 13.684 1.00 0.00 C ATOM 442 CG1 ILE A 32 4.944 -4.495 14.471 1.00 0.00 C ATOM 443 CG2 ILE A 32 7.073 -5.586 13.524 1.00 0.00 C ATOM 444 CD1 ILE A 32 3.633 -3.951 13.826 1.00 0.00 C ATOM 0 H ILE A 32 8.480 -2.664 12.660 1.00 0.00 H new ATOM 0 HA ILE A 32 6.298 -2.163 14.676 1.00 0.00 H new ATOM 0 HB ILE A 32 6.017 -3.959 12.652 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.839 -5.571 14.610 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.049 -4.054 15.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.412 -6.384 13.186 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.868 -5.438 12.793 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.510 -5.859 14.484 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.785 -4.193 14.466 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.705 -2.869 13.713 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.491 -4.410 12.847 1.00 0.00 H new ATOM 456 N GLY A 33 9.258 -2.146 15.380 1.00 0.00 N ATOM 457 CA GLY A 33 10.521 -2.288 16.190 1.00 0.00 C ATOM 458 C GLY A 33 11.795 -2.238 15.328 1.00 0.00 C ATOM 459 O GLY A 33 12.667 -1.374 15.561 1.00 0.00 O ATOM 0 H GLY A 33 9.282 -1.339 14.757 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.561 -1.492 16.934 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.493 -3.232 16.734 1.00 0.00 H new ATOM 463 N ASP A 34 11.894 -3.264 14.324 1.00 0.00 N ATOM 464 CA ASP A 34 12.962 -3.496 13.214 1.00 0.00 C ATOM 465 C ASP A 34 12.424 -4.697 12.251 1.00 0.00 C ATOM 466 O ASP A 34 12.755 -5.923 12.457 1.00 0.00 O ATOM 467 CB ASP A 34 14.514 -3.733 13.795 1.00 0.00 C ATOM 468 CG ASP A 34 15.680 -3.582 12.768 1.00 0.00 C ATOM 469 OD1 ASP A 34 16.201 -2.452 12.618 1.00 0.00 O ATOM 470 OD2 ASP A 34 16.056 -4.598 12.138 1.00 0.00 O ATOM 0 H ASP A 34 11.178 -3.989 14.279 1.00 0.00 H new ATOM 0 HA ASP A 34 13.073 -2.584 12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.684 -3.027 14.608 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.567 -4.733 14.225 1.00 0.00 H new ATOM 475 N ASP A 35 11.461 -4.295 11.281 1.00 0.00 N ATOM 476 CA ASP A 35 10.810 -5.217 10.208 1.00 0.00 C ATOM 477 C ASP A 35 11.307 -4.873 8.649 1.00 0.00 C ATOM 478 O ASP A 35 11.455 -3.655 8.326 1.00 0.00 O ATOM 479 CB ASP A 35 9.207 -5.179 10.354 1.00 0.00 C ATOM 480 CG ASP A 35 8.400 -6.381 9.746 1.00 0.00 C ATOM 481 OD1 ASP A 35 8.181 -7.382 10.469 1.00 0.00 O ATOM 482 OD2 ASP A 35 7.992 -6.291 8.563 1.00 0.00 O ATOM 0 H ASP A 35 11.122 -3.334 11.226 1.00 0.00 H new ATOM 0 HA ASP A 35 11.157 -6.233 10.397 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.966 -5.113 11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.847 -4.261 9.888 1.00 0.00 H new ATOM 487 N PRO A 36 11.598 -6.014 7.635 1.00 0.00 N ATOM 488 CA PRO A 36 11.955 -5.778 6.130 1.00 0.00 C ATOM 489 C PRO A 36 10.734 -5.428 5.066 1.00 0.00 C ATOM 490 O PRO A 36 11.018 -4.826 3.984 1.00 0.00 O ATOM 491 CB PRO A 36 12.696 -7.123 5.720 1.00 0.00 C ATOM 492 CG PRO A 36 12.879 -7.928 6.989 1.00 0.00 C ATOM 493 CD PRO A 36 11.746 -7.538 7.905 1.00 0.00 C ATOM 0 HA PRO A 36 12.538 -4.860 6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.109 -7.680 4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.659 -6.908 5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.858 -8.997 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.843 -7.713 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.831 -8.082 7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.981 -7.743 8.949 1.00 0.00 H new ATOM 501 N SER A 37 9.394 -5.778 5.453 1.00 0.00 N ATOM 502 CA SER A 37 8.123 -5.700 4.554 1.00 0.00 C ATOM 503 C SER A 37 7.236 -4.362 4.698 1.00 0.00 C ATOM 504 O SER A 37 7.177 -3.743 5.804 1.00 0.00 O ATOM 505 CB SER A 37 7.230 -6.997 4.767 1.00 0.00 C ATOM 506 OG SER A 37 7.892 -8.183 4.328 1.00 0.00 O ATOM 0 H SER A 37 9.181 -6.117 6.391 1.00 0.00 H new ATOM 0 HA SER A 37 8.502 -5.654 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.977 -7.093 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.292 -6.884 4.224 1.00 0.00 H new ATOM 0 HG SER A 37 7.310 -8.957 4.478 1.00 0.00 H new ATOM 512 N ILE A 38 6.556 -3.940 3.489 1.00 0.00 N ATOM 513 CA ILE A 38 5.563 -2.760 3.312 1.00 0.00 C ATOM 514 C ILE A 38 4.021 -3.313 3.593 1.00 0.00 C ATOM 515 O ILE A 38 3.597 -4.348 2.995 1.00 0.00 O ATOM 516 CB ILE A 38 5.699 -2.008 1.725 1.00 0.00 C ATOM 517 CG1 ILE A 38 7.146 -1.429 1.183 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.800 -0.722 1.599 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.504 -2.138 1.399 1.00 0.00 C ATOM 0 H ILE A 38 6.703 -4.436 2.610 1.00 0.00 H new ATOM 0 HA ILE A 38 5.809 -1.982 4.034 1.00 0.00 H new ATOM 0 HB ILE A 38 5.428 -2.887 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.038 -1.303 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.253 -0.432 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.917 -0.293 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.756 -0.991 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.104 0.009 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.299 -1.548 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.695 -2.241 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.476 -3.126 0.939 1.00 0.00 H new ATOM 531 N PHE A 39 3.259 -2.552 4.528 1.00 0.00 N ATOM 532 CA PHE A 39 1.764 -2.771 4.917 1.00 0.00 C ATOM 533 C PHE A 39 1.011 -1.354 5.123 1.00 0.00 C ATOM 534 O PHE A 39 1.697 -0.220 5.236 1.00 0.00 O ATOM 535 CB PHE A 39 1.520 -3.668 6.314 1.00 0.00 C ATOM 536 CG PHE A 39 2.180 -5.072 6.596 1.00 0.00 C ATOM 537 CD1 PHE A 39 2.044 -6.184 5.753 1.00 0.00 C ATOM 538 CD2 PHE A 39 2.895 -5.238 7.775 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.630 -7.407 6.096 1.00 0.00 C ATOM 540 CE2 PHE A 39 3.471 -6.431 8.134 1.00 0.00 C ATOM 541 CZ PHE A 39 3.345 -7.528 7.292 1.00 0.00 C ATOM 0 H PHE A 39 3.672 -1.767 5.032 1.00 0.00 H new ATOM 0 HA PHE A 39 1.355 -3.338 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.814 -3.024 7.143 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.443 -3.818 6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.484 -6.096 4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.002 -4.392 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.530 -8.257 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.017 -6.516 9.062 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.798 -8.471 7.560 1.00 0.00 H new ATOM 551 N ILE A 40 -0.452 -1.431 5.183 1.00 0.00 N ATOM 552 CA ILE A 40 -1.404 -0.306 5.585 1.00 0.00 C ATOM 553 C ILE A 40 -1.589 -0.351 7.179 1.00 0.00 C ATOM 554 O ILE A 40 -1.729 -1.457 7.809 1.00 0.00 O ATOM 555 CB ILE A 40 -2.929 -0.347 4.841 1.00 0.00 C ATOM 556 CG1 ILE A 40 -3.049 -1.069 3.359 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.680 1.070 4.846 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.237 -0.497 2.172 1.00 0.00 C ATOM 0 H ILE A 40 -0.950 -2.289 4.946 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.945 0.621 5.242 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.451 -1.035 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.763 -2.114 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.101 -1.058 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.648 0.971 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.827 1.400 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.076 1.804 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.433 -1.089 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.532 0.537 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.173 -0.536 2.407 1.00 0.00 H new ATOM 570 N THR A 41 -1.614 0.898 7.745 1.00 0.00 N ATOM 571 CA THR A 41 -1.670 1.245 9.258 1.00 0.00 C ATOM 572 C THR A 41 -2.559 2.508 9.581 1.00 0.00 C ATOM 573 O THR A 41 -3.122 2.576 10.726 1.00 0.00 O ATOM 574 CB THR A 41 -0.224 1.300 10.051 1.00 0.00 C ATOM 575 OG1 THR A 41 0.783 1.953 9.289 1.00 0.00 O ATOM 576 CG2 THR A 41 0.292 -0.087 10.496 1.00 0.00 C ATOM 0 H THR A 41 -1.596 1.738 7.166 1.00 0.00 H new ATOM 0 HA THR A 41 -2.170 0.370 9.672 1.00 0.00 H new ATOM 0 HB THR A 41 -0.429 1.882 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.621 1.965 9.796 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.246 0.028 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.431 -0.545 11.171 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.425 -0.723 9.621 1.00 0.00 H new ATOM 584 N LYS A 42 -2.734 3.521 8.523 1.00 0.00 N ATOM 585 CA LYS A 42 -3.589 4.760 8.686 1.00 0.00 C ATOM 586 C LYS A 42 -4.625 4.908 7.480 1.00 0.00 C ATOM 587 O LYS A 42 -4.243 4.803 6.267 1.00 0.00 O ATOM 588 CB LYS A 42 -2.638 6.063 8.902 1.00 0.00 C ATOM 589 CG LYS A 42 -3.177 7.266 9.759 1.00 0.00 C ATOM 590 CD LYS A 42 -3.773 8.425 8.934 1.00 0.00 C ATOM 591 CE LYS A 42 -4.299 9.515 9.853 1.00 0.00 C ATOM 592 NZ LYS A 42 -4.703 10.743 9.123 1.00 0.00 N ATOM 0 H LYS A 42 -2.288 3.452 7.608 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.203 4.668 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.711 5.721 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.381 6.450 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.940 6.895 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.362 7.654 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.012 8.836 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.580 8.053 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.154 9.132 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.531 9.769 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.322 11.578 9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.330 10.709 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.741 10.803 9.093 1.00 0.00 H new ATOM 606 N ILE A 43 -5.963 5.098 7.895 1.00 0.00 N ATOM 607 CA ILE A 43 -7.164 5.385 7.010 1.00 0.00 C ATOM 608 C ILE A 43 -7.865 6.739 7.521 1.00 0.00 C ATOM 609 O ILE A 43 -8.149 6.893 8.754 1.00 0.00 O ATOM 610 CB ILE A 43 -8.245 4.017 6.865 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.583 2.660 6.176 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.732 4.278 6.280 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.950 2.730 4.708 1.00 0.00 C ATOM 0 H ILE A 43 -6.221 5.051 8.881 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.834 5.547 5.984 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.396 3.825 7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.802 2.304 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.360 1.895 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.282 3.337 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.257 4.985 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.660 4.688 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.568 1.748 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.716 3.037 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.134 3.453 4.698 1.00 0.00 H new ATOM 625 N ILE A 44 -8.132 7.685 6.505 1.00 0.00 N ATOM 626 CA ILE A 44 -8.915 8.997 6.669 1.00 0.00 C ATOM 627 C ILE A 44 -10.560 8.721 6.473 1.00 0.00 C ATOM 628 O ILE A 44 -10.931 8.090 5.445 1.00 0.00 O ATOM 629 CB ILE A 44 -8.260 10.282 5.700 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.778 10.745 6.085 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.091 11.604 5.653 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.617 9.846 5.710 1.00 0.00 C ATOM 0 H ILE A 44 -7.804 7.549 5.549 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.794 9.361 7.689 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.282 9.783 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.605 11.718 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.747 10.893 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.583 12.330 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.081 11.397 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.189 12.008 6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.683 10.301 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.738 8.876 6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.594 9.714 4.628 1.00 0.00 H new ATOM 644 N PRO A 45 -11.571 9.234 7.513 1.00 0.00 N ATOM 645 CA PRO A 45 -13.122 9.023 7.421 1.00 0.00 C ATOM 646 C PRO A 45 -13.917 9.716 6.166 1.00 0.00 C ATOM 647 O PRO A 45 -15.035 9.220 5.796 1.00 0.00 O ATOM 648 CB PRO A 45 -13.642 9.555 8.816 1.00 0.00 C ATOM 649 CG PRO A 45 -12.435 9.592 9.718 1.00 0.00 C ATOM 650 CD PRO A 45 -11.276 9.984 8.837 1.00 0.00 C ATOM 0 HA PRO A 45 -13.328 7.973 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.086 10.546 8.716 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.413 8.900 9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.573 10.311 10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.263 8.620 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.230 11.063 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.322 9.681 9.268 1.00 0.00 H new ATOM 658 N GLY A 46 -13.271 10.823 5.536 1.00 0.00 N ATOM 659 CA GLY A 46 -13.821 11.581 4.355 1.00 0.00 C ATOM 660 C GLY A 46 -12.851 11.769 3.146 1.00 0.00 C ATOM 661 O GLY A 46 -12.861 12.877 2.544 1.00 0.00 O ATOM 0 H GLY A 46 -12.371 11.182 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.713 11.065 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.137 12.566 4.697 1.00 0.00 H new ATOM 665 N GLY A 47 -11.995 10.660 2.804 1.00 0.00 N ATOM 666 CA GLY A 47 -11.078 10.600 1.590 1.00 0.00 C ATOM 667 C GLY A 47 -11.667 9.909 0.302 1.00 0.00 C ATOM 668 O GLY A 47 -12.855 9.474 0.280 1.00 0.00 O ATOM 0 H GLY A 47 -11.948 9.816 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.788 11.618 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.168 10.073 1.875 1.00 0.00 H new ATOM 672 N ALA A 48 -10.761 9.835 -0.780 1.00 0.00 N ATOM 673 CA ALA A 48 -10.999 9.289 -2.196 1.00 0.00 C ATOM 674 C ALA A 48 -10.910 7.680 -2.349 1.00 0.00 C ATOM 675 O ALA A 48 -11.698 7.112 -3.116 1.00 0.00 O ATOM 676 CB ALA A 48 -10.066 10.050 -3.210 1.00 0.00 C ATOM 0 H ALA A 48 -9.804 10.172 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.043 9.491 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.232 9.665 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.295 11.115 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.024 9.897 -2.930 1.00 0.00 H new ATOM 682 N ALA A 49 -9.909 6.986 -1.575 1.00 0.00 N ATOM 683 CA ALA A 49 -9.651 5.454 -1.504 1.00 0.00 C ATOM 684 C ALA A 49 -10.615 4.622 -0.507 1.00 0.00 C ATOM 685 O ALA A 49 -10.853 3.376 -0.736 1.00 0.00 O ATOM 686 CB ALA A 49 -8.169 5.203 -1.186 1.00 0.00 C ATOM 0 H ALA A 49 -9.259 7.501 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.908 5.065 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.984 4.130 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.550 5.641 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.920 5.660 -0.228 1.00 0.00 H new ATOM 692 N ALA A 50 -11.183 5.367 0.600 1.00 0.00 N ATOM 693 CA ALA A 50 -12.149 4.853 1.674 1.00 0.00 C ATOM 694 C ALA A 50 -13.692 4.861 1.202 1.00 0.00 C ATOM 695 O ALA A 50 -14.429 3.874 1.492 1.00 0.00 O ATOM 696 CB ALA A 50 -11.941 5.662 3.006 1.00 0.00 C ATOM 0 H ALA A 50 -10.956 6.352 0.740 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.911 3.804 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.629 5.294 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.915 5.535 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.134 6.719 2.824 1.00 0.00 H new ATOM 702 N GLN A 51 -14.137 6.013 0.441 1.00 0.00 N ATOM 703 CA GLN A 51 -15.525 6.243 -0.174 1.00 0.00 C ATOM 704 C GLN A 51 -15.675 5.708 -1.689 1.00 0.00 C ATOM 705 O GLN A 51 -16.563 4.847 -1.931 1.00 0.00 O ATOM 706 CB GLN A 51 -16.018 7.775 -0.040 1.00 0.00 C ATOM 707 CG GLN A 51 -16.147 8.356 1.433 1.00 0.00 C ATOM 708 CD GLN A 51 -16.885 9.758 1.651 1.00 0.00 C ATOM 709 OE1 GLN A 51 -17.529 9.935 2.686 1.00 0.00 O ATOM 710 NE2 GLN A 51 -16.720 10.777 0.750 1.00 0.00 N ATOM 0 H GLN A 51 -13.509 6.795 0.256 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.193 5.626 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.324 8.406 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.989 7.864 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.668 7.612 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.140 8.447 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -16.185 10.621 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.132 11.692 0.934 1.00 0.00 H new ATOM 719 N ASP A 52 -14.765 6.241 -2.698 1.00 0.00 N ATOM 720 CA ASP A 52 -14.784 5.926 -4.207 1.00 0.00 C ATOM 721 C ASP A 52 -13.875 4.691 -4.715 1.00 0.00 C ATOM 722 O ASP A 52 -14.273 4.005 -5.710 1.00 0.00 O ATOM 723 CB ASP A 52 -14.485 7.245 -5.047 1.00 0.00 C ATOM 724 CG ASP A 52 -15.672 8.234 -5.207 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.820 9.140 -4.348 1.00 0.00 O ATOM 726 OD2 ASP A 52 -16.432 8.103 -6.199 1.00 0.00 O ATOM 0 H ASP A 52 -14.019 6.891 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.798 5.569 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.658 7.774 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.147 6.950 -6.040 1.00 0.00 H new ATOM 731 N GLY A 53 -12.684 4.392 -3.966 1.00 0.00 N ATOM 732 CA GLY A 53 -11.594 3.374 -4.354 1.00 0.00 C ATOM 733 C GLY A 53 -11.832 1.869 -4.003 1.00 0.00 C ATOM 734 O GLY A 53 -11.441 1.000 -4.808 1.00 0.00 O ATOM 0 H GLY A 53 -12.477 4.861 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.440 3.445 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.664 3.684 -3.878 1.00 0.00 H new ATOM 738 N ARG A 54 -12.489 1.575 -2.747 1.00 0.00 N ATOM 739 CA ARG A 54 -12.892 0.173 -2.102 1.00 0.00 C ATOM 740 C ARG A 54 -11.753 -0.541 -1.210 1.00 0.00 C ATOM 741 O ARG A 54 -11.879 -1.761 -0.807 1.00 0.00 O ATOM 742 CB ARG A 54 -13.715 -0.860 -3.106 1.00 0.00 C ATOM 743 CG ARG A 54 -15.242 -0.568 -3.404 1.00 0.00 C ATOM 744 CD ARG A 54 -16.225 -1.037 -2.273 1.00 0.00 C ATOM 745 NE ARG A 54 -17.677 -0.713 -2.582 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.831 -0.866 -1.763 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.811 -1.356 -0.478 1.00 0.00 N ATOM 748 NH2 ARG A 54 -20.004 -0.510 -2.267 1.00 0.00 N ATOM 0 H ARG A 54 -12.763 2.341 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.638 0.473 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.190 -0.883 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.646 -1.861 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.371 0.503 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.518 -1.061 -4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.120 -2.112 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.944 -0.562 -1.333 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.850 -0.330 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.927 -1.638 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.680 -1.438 0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -20.060 -0.139 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.851 -0.607 -1.706 1.00 0.00 H new ATOM 762 N LEU A 55 -10.684 0.318 -0.784 1.00 0.00 N ATOM 763 CA LEU A 55 -9.501 -0.068 0.053 1.00 0.00 C ATOM 764 C LEU A 55 -9.759 0.123 1.629 1.00 0.00 C ATOM 765 O LEU A 55 -10.217 1.211 2.114 1.00 0.00 O ATOM 766 CB LEU A 55 -8.203 0.729 -0.515 1.00 0.00 C ATOM 767 CG LEU A 55 -6.774 0.643 0.173 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.816 -0.302 -0.546 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.236 2.032 0.243 1.00 0.00 C ATOM 0 H LEU A 55 -10.663 1.305 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.315 -1.138 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.070 0.410 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.473 1.785 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.878 0.217 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.858 -0.315 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.237 -1.308 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.668 0.040 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.252 2.018 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.153 2.441 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.909 2.654 0.833 1.00 0.00 H new ATOM 781 N ARG A 56 -9.464 -1.028 2.344 1.00 0.00 N ATOM 782 CA ARG A 56 -9.415 -1.216 3.854 1.00 0.00 C ATOM 783 C ARG A 56 -7.908 -1.455 4.332 1.00 0.00 C ATOM 784 O ARG A 56 -7.043 -1.963 3.544 1.00 0.00 O ATOM 785 CB ARG A 56 -10.386 -2.413 4.355 1.00 0.00 C ATOM 786 CG ARG A 56 -11.886 -2.161 4.331 1.00 0.00 C ATOM 787 CD ARG A 56 -12.547 -3.386 4.870 1.00 0.00 C ATOM 788 NE ARG A 56 -14.059 -3.260 4.984 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.022 -4.209 5.425 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.720 -5.483 5.843 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.298 -3.844 5.434 1.00 0.00 N ATOM 0 H ARG A 56 -9.242 -1.896 1.857 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.788 -0.301 4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.183 -3.290 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.105 -2.668 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.140 -1.290 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.226 -1.955 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.309 -4.232 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.134 -3.609 5.854 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.440 -2.357 4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.751 -5.801 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.465 -6.110 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.563 -2.907 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.014 -4.501 5.745 1.00 0.00 H new ATOM 805 N VAL A 57 -7.617 -1.111 5.671 1.00 0.00 N ATOM 806 CA VAL A 57 -6.264 -1.226 6.441 1.00 0.00 C ATOM 807 C VAL A 57 -5.580 -2.731 6.481 1.00 0.00 C ATOM 808 O VAL A 57 -4.332 -2.876 6.616 1.00 0.00 O ATOM 809 CB VAL A 57 -6.453 -0.517 7.896 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.222 -1.193 9.041 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.369 0.390 8.323 1.00 0.00 C ATOM 0 H VAL A 57 -8.347 -0.729 6.272 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.503 -0.689 5.874 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.284 0.103 7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.222 -0.541 9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.249 -1.380 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.742 -2.138 9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.605 0.802 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.432 -0.164 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.269 1.202 7.603 1.00 0.00 H new ATOM 821 N ASN A 58 -6.517 -3.760 6.364 1.00 0.00 N ATOM 822 CA ASN A 58 -6.289 -5.216 6.334 1.00 0.00 C ATOM 823 C ASN A 58 -6.106 -5.797 4.779 1.00 0.00 C ATOM 824 O ASN A 58 -6.004 -7.056 4.596 1.00 0.00 O ATOM 825 CB ASN A 58 -7.497 -5.858 7.197 1.00 0.00 C ATOM 826 CG ASN A 58 -7.272 -7.294 7.781 1.00 0.00 C ATOM 827 OD1 ASN A 58 -6.749 -7.453 8.889 1.00 0.00 O ATOM 828 ND2 ASN A 58 -7.703 -8.323 7.042 1.00 0.00 N ATOM 0 H ASN A 58 -7.511 -3.544 6.285 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.341 -5.507 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.714 -5.186 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.386 -5.885 6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.605 -9.277 7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.130 -8.153 6.131 1.00 0.00 H new ATOM 835 N ASP A 59 -5.988 -4.814 3.667 1.00 0.00 N ATOM 836 CA ASP A 59 -5.791 -5.218 2.167 1.00 0.00 C ATOM 837 C ASP A 59 -4.282 -5.478 1.711 1.00 0.00 C ATOM 838 O ASP A 59 -4.031 -6.369 0.824 1.00 0.00 O ATOM 839 CB ASP A 59 -6.556 -4.262 1.160 1.00 0.00 C ATOM 840 CG ASP A 59 -8.052 -4.598 0.942 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.900 -4.110 1.718 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.362 -5.336 -0.025 1.00 0.00 O ATOM 0 H ASP A 59 -6.028 -3.805 3.813 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.263 -6.199 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.479 -3.238 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.048 -4.294 0.196 1.00 0.00 H new ATOM 847 N SER A 60 -3.248 -4.658 2.349 1.00 0.00 N ATOM 848 CA SER A 60 -1.669 -4.717 2.201 1.00 0.00 C ATOM 849 C SER A 60 -1.090 -4.831 0.722 1.00 0.00 C ATOM 850 O SER A 60 -1.376 -5.837 -0.004 1.00 0.00 O ATOM 851 CB SER A 60 -0.994 -5.759 3.197 1.00 0.00 C ATOM 852 OG SER A 60 -1.221 -5.413 4.559 1.00 0.00 O ATOM 0 H SER A 60 -3.518 -3.919 2.998 1.00 0.00 H new ATOM 0 HA SER A 60 -1.368 -3.715 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.391 -6.756 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.078 -5.801 3.007 1.00 0.00 H new ATOM 0 HG SER A 60 -0.398 -5.549 5.073 1.00 0.00 H new ATOM 858 N ILE A 61 -0.238 -3.784 0.307 1.00 0.00 N ATOM 859 CA ILE A 61 0.378 -3.648 -1.117 1.00 0.00 C ATOM 860 C ILE A 61 1.734 -4.538 -1.244 1.00 0.00 C ATOM 861 O ILE A 61 2.639 -4.473 -0.353 1.00 0.00 O ATOM 862 CB ILE A 61 0.623 -2.021 -1.632 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.692 -1.074 -1.389 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.992 -1.963 -3.207 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.475 0.487 -1.208 1.00 0.00 C ATOM 0 H ILE A 61 0.037 -3.026 0.932 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.367 -4.045 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 61 1.447 -1.642 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.366 -1.220 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.207 -1.443 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.142 -0.926 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.906 -2.529 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.177 -2.395 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.439 0.973 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.162 0.668 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.001 0.894 -2.100 1.00 0.00 H new ATOM 877 N LEU A 62 1.775 -5.375 -2.406 1.00 0.00 N ATOM 878 CA LEU A 62 3.004 -6.106 -2.919 1.00 0.00 C ATOM 879 C LEU A 62 3.749 -5.312 -4.045 1.00 0.00 C ATOM 880 O LEU A 62 5.005 -5.198 -3.985 1.00 0.00 O ATOM 881 CB LEU A 62 2.742 -7.685 -3.298 1.00 0.00 C ATOM 882 CG LEU A 62 1.681 -8.148 -4.395 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.050 -9.509 -4.871 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.270 -8.226 -3.847 1.00 0.00 C ATOM 0 H LEU A 62 0.951 -5.539 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 62 3.687 -6.145 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.704 -8.094 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.466 -8.185 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 62 1.700 -7.408 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.332 -9.839 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.048 -9.483 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.040 -10.203 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.410 -8.546 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.237 -8.944 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.034 -7.245 -3.482 1.00 0.00 H new ATOM 896 N PHE A 63 2.917 -4.748 -5.089 1.00 0.00 N ATOM 897 CA PHE A 63 3.468 -4.002 -6.323 1.00 0.00 C ATOM 898 C PHE A 63 2.793 -2.641 -6.599 1.00 0.00 C ATOM 899 O PHE A 63 1.540 -2.538 -6.559 1.00 0.00 O ATOM 900 CB PHE A 63 3.465 -4.956 -7.656 1.00 0.00 C ATOM 901 CG PHE A 63 4.503 -6.147 -7.670 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.256 -7.353 -7.002 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.700 -6.014 -8.328 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.165 -8.378 -7.009 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.613 -7.011 -8.354 1.00 0.00 C ATOM 906 CZ PHE A 63 6.360 -8.218 -7.701 1.00 0.00 C ATOM 0 H PHE A 63 1.899 -4.808 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 63 4.502 -3.763 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.465 -5.373 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.654 -4.328 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.326 -7.478 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.919 -5.088 -8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.956 -9.298 -6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.544 -6.872 -8.884 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.084 -9.019 -7.733 1.00 0.00 H new ATOM 916 N VAL A 64 3.668 -1.552 -6.846 1.00 0.00 N ATOM 917 CA VAL A 64 3.200 -0.143 -7.238 1.00 0.00 C ATOM 918 C VAL A 64 3.689 0.350 -8.605 1.00 0.00 C ATOM 919 O VAL A 64 4.838 0.271 -8.900 1.00 0.00 O ATOM 920 CB VAL A 64 3.112 1.047 -6.125 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.834 1.010 -5.335 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.332 1.289 -5.194 1.00 0.00 C ATOM 0 H VAL A 64 4.682 -1.635 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 64 2.142 -0.390 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 64 3.128 1.923 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.831 1.824 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.986 1.122 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.758 0.057 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.113 2.112 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.535 0.386 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.206 1.538 -5.796 1.00 0.00 H new ATOM 932 N ASN A 65 2.689 0.907 -9.453 1.00 0.00 N ATOM 933 CA ASN A 65 2.774 1.435 -10.930 1.00 0.00 C ATOM 934 C ASN A 65 2.805 0.150 -11.955 1.00 0.00 C ATOM 935 O ASN A 65 1.811 -0.146 -12.642 1.00 0.00 O ATOM 936 CB ASN A 65 4.027 2.565 -11.200 1.00 0.00 C ATOM 937 CG ASN A 65 3.863 3.586 -12.386 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.254 3.304 -13.438 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.418 4.776 -12.197 1.00 0.00 N ATOM 0 H ASN A 65 1.737 1.007 -9.101 1.00 0.00 H new ATOM 0 HA ASN A 65 1.878 2.021 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.162 3.138 -10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.949 2.007 -11.366 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.353 5.490 -12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.909 4.977 -11.326 1.00 0.00 H new ATOM 946 N GLU A 66 4.047 -0.548 -11.977 1.00 0.00 N ATOM 947 CA GLU A 66 4.481 -1.868 -12.617 1.00 0.00 C ATOM 948 C GLU A 66 5.813 -2.406 -11.764 1.00 0.00 C ATOM 949 O GLU A 66 6.390 -3.494 -12.093 1.00 0.00 O ATOM 950 CB GLU A 66 4.816 -1.658 -14.217 1.00 0.00 C ATOM 951 CG GLU A 66 4.750 -2.944 -15.143 1.00 0.00 C ATOM 952 CD GLU A 66 5.075 -2.684 -16.633 1.00 0.00 C ATOM 953 OE1 GLU A 66 6.272 -2.789 -17.017 1.00 0.00 O ATOM 954 OE2 GLU A 66 4.128 -2.408 -17.418 1.00 0.00 O ATOM 0 H GLU A 66 4.841 -0.136 -11.487 1.00 0.00 H new ATOM 0 HA GLU A 66 3.684 -2.611 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.120 -0.919 -14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.816 -1.232 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.446 -3.689 -14.758 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.751 -3.375 -15.073 1.00 0.00 H new ATOM 961 N VAL A 67 6.197 -1.628 -10.586 1.00 0.00 N ATOM 962 CA VAL A 67 7.465 -1.750 -9.761 1.00 0.00 C ATOM 963 C VAL A 67 7.365 -2.701 -8.520 1.00 0.00 C ATOM 964 O VAL A 67 6.279 -2.779 -7.837 1.00 0.00 O ATOM 965 CB VAL A 67 8.271 -0.288 -9.415 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.495 0.570 -10.603 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.827 0.578 -8.162 1.00 0.00 C ATOM 0 H VAL A 67 5.584 -0.899 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 67 8.126 -2.262 -10.460 1.00 0.00 H new ATOM 0 HB VAL A 67 9.218 -0.709 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.012 1.481 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.102 0.032 -11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.536 0.829 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.449 1.471 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.783 0.870 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.944 -0.011 -7.253 1.00 0.00 H new ATOM 977 N ASP A 68 8.624 -3.215 -8.149 1.00 0.00 N ATOM 978 CA ASP A 68 8.914 -4.214 -7.094 1.00 0.00 C ATOM 979 C ASP A 68 9.108 -3.520 -5.667 1.00 0.00 C ATOM 980 O ASP A 68 10.164 -2.873 -5.371 1.00 0.00 O ATOM 981 CB ASP A 68 10.143 -5.222 -7.458 1.00 0.00 C ATOM 982 CG ASP A 68 10.063 -6.106 -8.731 1.00 0.00 C ATOM 983 OD1 ASP A 68 10.209 -5.564 -9.856 1.00 0.00 O ATOM 984 OD2 ASP A 68 9.909 -7.337 -8.585 1.00 0.00 O ATOM 0 H ASP A 68 9.475 -2.907 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 68 8.031 -4.851 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.047 -4.618 -7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.280 -5.889 -6.607 1.00 0.00 H new ATOM 989 N VAL A 69 7.977 -3.611 -4.861 1.00 0.00 N ATOM 990 CA VAL A 69 7.815 -3.104 -3.395 1.00 0.00 C ATOM 991 C VAL A 69 7.872 -4.326 -2.307 1.00 0.00 C ATOM 992 O VAL A 69 7.505 -4.188 -1.110 1.00 0.00 O ATOM 993 CB VAL A 69 6.572 -2.003 -3.381 1.00 0.00 C ATOM 994 CG1 VAL A 69 5.433 -2.013 -2.296 1.00 0.00 C ATOM 995 CG2 VAL A 69 7.121 -0.613 -3.519 1.00 0.00 C ATOM 0 H VAL A 69 7.121 -4.047 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 69 8.666 -2.534 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 69 6.006 -2.375 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.735 -1.199 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.902 -2.964 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.872 -1.882 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.301 0.105 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.796 -0.404 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.666 -0.529 -4.459 1.00 0.00 H new ATOM 1005 N ARG A 70 8.464 -5.478 -2.818 1.00 0.00 N ATOM 1006 CA ARG A 70 8.856 -6.770 -2.061 1.00 0.00 C ATOM 1007 C ARG A 70 10.165 -6.591 -1.138 1.00 0.00 C ATOM 1008 O ARG A 70 10.268 -7.261 -0.067 1.00 0.00 O ATOM 1009 CB ARG A 70 9.044 -8.009 -3.051 1.00 0.00 C ATOM 1010 CG ARG A 70 7.763 -8.724 -3.541 1.00 0.00 C ATOM 1011 CD ARG A 70 8.120 -9.926 -4.425 1.00 0.00 C ATOM 1012 NE ARG A 70 6.899 -10.716 -4.867 1.00 0.00 N ATOM 1013 CZ ARG A 70 6.808 -11.834 -5.744 1.00 0.00 C ATOM 1014 NH1 ARG A 70 7.880 -12.401 -6.389 1.00 0.00 N ATOM 1015 NH2 ARG A 70 5.611 -12.363 -5.959 1.00 0.00 N ATOM 0 H ARG A 70 8.695 -5.546 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 70 8.018 -6.981 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.593 -7.661 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.673 -8.747 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.176 -9.057 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.142 -8.025 -4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.659 -9.576 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.795 -10.585 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 70 6.012 -10.398 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.817 -12.021 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.739 -13.202 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.789 -11.968 -5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.512 -13.165 -6.582 1.00 0.00 H new ATOM 1029 N GLU A 71 11.145 -5.575 -1.571 1.00 0.00 N ATOM 1030 CA GLU A 71 12.483 -5.227 -0.927 1.00 0.00 C ATOM 1031 C GLU A 71 12.946 -3.785 -1.376 1.00 0.00 C ATOM 1032 O GLU A 71 13.667 -3.585 -2.437 1.00 0.00 O ATOM 1033 CB GLU A 71 13.651 -6.315 -1.138 1.00 0.00 C ATOM 1034 CG GLU A 71 13.772 -7.452 -0.068 1.00 0.00 C ATOM 1035 CD GLU A 71 14.912 -8.468 -0.331 1.00 0.00 C ATOM 1036 OE1 GLU A 71 14.658 -9.500 -1.012 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.048 -8.247 0.170 1.00 0.00 O ATOM 0 H GLU A 71 10.968 -5.000 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 71 12.302 -5.238 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.506 -6.782 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.603 -5.785 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.927 -6.997 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.826 -7.991 -0.022 1.00 0.00 H new ATOM 1044 N VAL A 72 12.395 -2.750 -0.603 1.00 0.00 N ATOM 1045 CA VAL A 72 12.684 -1.236 -0.724 1.00 0.00 C ATOM 1046 C VAL A 72 12.611 -0.515 0.727 1.00 0.00 C ATOM 1047 O VAL A 72 12.096 -1.117 1.708 1.00 0.00 O ATOM 1048 CB VAL A 72 11.748 -0.383 -1.906 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.917 -0.819 -3.361 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.236 -0.104 -1.579 1.00 0.00 C ATOM 0 H VAL A 72 11.723 -2.948 0.138 1.00 0.00 H new ATOM 0 HA VAL A 72 13.703 -1.180 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 72 12.247 0.581 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.279 -0.209 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.957 -0.692 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.636 -1.867 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.778 0.436 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.715 -1.050 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.165 0.495 -0.671 1.00 0.00 H new ATOM 1060 N THR A 73 13.093 0.821 0.770 1.00 0.00 N ATOM 1061 CA THR A 73 12.875 1.853 1.919 1.00 0.00 C ATOM 1062 C THR A 73 11.414 2.524 1.807 1.00 0.00 C ATOM 1063 O THR A 73 10.778 2.439 0.711 1.00 0.00 O ATOM 1064 CB THR A 73 14.012 3.018 1.968 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.402 3.519 0.672 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.234 2.638 2.782 1.00 0.00 C ATOM 0 H THR A 73 13.645 1.211 0.006 1.00 0.00 H new ATOM 0 HA THR A 73 12.957 1.290 2.849 1.00 0.00 H new ATOM 0 HB THR A 73 13.512 3.837 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.084 4.214 0.782 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.949 3.461 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.936 2.430 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.696 1.750 2.351 1.00 0.00 H new ATOM 1074 N HIS A 74 10.880 3.178 2.965 1.00 0.00 N ATOM 1075 CA HIS A 74 9.478 3.956 3.019 1.00 0.00 C ATOM 1076 C HIS A 74 9.302 5.093 1.879 1.00 0.00 C ATOM 1077 O HIS A 74 8.363 5.008 1.001 1.00 0.00 O ATOM 1078 CB HIS A 74 9.072 4.478 4.509 1.00 0.00 C ATOM 1079 CG HIS A 74 9.976 5.541 5.267 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.707 6.910 5.271 1.00 0.00 N ATOM 1081 CD2 HIS A 74 11.080 5.393 6.048 1.00 0.00 C ATOM 1082 CE1 HIS A 74 10.610 7.545 6.023 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.448 6.646 6.501 1.00 0.00 N ATOM 0 H HIS A 74 11.373 3.191 3.858 1.00 0.00 H new ATOM 0 HA HIS A 74 8.743 3.191 2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.070 4.900 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.004 3.599 5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.580 4.463 6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.647 8.609 6.207 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.243 6.844 7.109 1.00 0.00 H new ATOM 1092 N SER A 75 10.415 6.014 1.808 1.00 0.00 N ATOM 1093 CA SER A 75 10.630 7.165 0.783 1.00 0.00 C ATOM 1094 C SER A 75 10.601 6.691 -0.757 1.00 0.00 C ATOM 1095 O SER A 75 9.929 7.325 -1.572 1.00 0.00 O ATOM 1096 CB SER A 75 11.924 8.027 1.135 1.00 0.00 C ATOM 1097 OG SER A 75 13.132 7.247 1.238 1.00 0.00 O ATOM 0 H SER A 75 11.183 5.959 2.477 1.00 0.00 H new ATOM 0 HA SER A 75 9.763 7.817 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.060 8.791 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.757 8.547 2.078 1.00 0.00 H new ATOM 0 HG SER A 75 13.885 7.836 1.453 1.00 0.00 H new ATOM 1103 N ALA A 76 11.208 5.403 -1.013 1.00 0.00 N ATOM 1104 CA ALA A 76 11.284 4.618 -2.323 1.00 0.00 C ATOM 1105 C ALA A 76 9.868 3.988 -2.811 1.00 0.00 C ATOM 1106 O ALA A 76 9.675 3.762 -4.049 1.00 0.00 O ATOM 1107 CB ALA A 76 12.364 3.529 -2.163 1.00 0.00 C ATOM 0 H ALA A 76 11.666 4.894 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 76 11.550 5.316 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.439 2.953 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.324 3.998 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.093 2.866 -1.342 1.00 0.00 H new ATOM 1113 N ALA A 77 8.864 3.759 -1.774 1.00 0.00 N ATOM 1114 CA ALA A 77 7.421 3.296 -1.989 1.00 0.00 C ATOM 1115 C ALA A 77 6.381 4.523 -2.178 1.00 0.00 C ATOM 1116 O ALA A 77 5.362 4.374 -2.911 1.00 0.00 O ATOM 1117 CB ALA A 77 6.999 2.320 -0.860 1.00 0.00 C ATOM 0 H ALA A 77 9.077 3.902 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 77 7.385 2.754 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.971 1.997 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.657 1.451 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.072 2.825 0.103 1.00 0.00 H new ATOM 1123 N VAL A 78 6.716 5.766 -1.504 1.00 0.00 N ATOM 1124 CA VAL A 78 5.974 7.173 -1.629 1.00 0.00 C ATOM 1125 C VAL A 78 6.335 7.893 -3.070 1.00 0.00 C ATOM 1126 O VAL A 78 5.426 8.419 -3.728 1.00 0.00 O ATOM 1127 CB VAL A 78 6.298 8.173 -0.280 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.609 9.579 -0.273 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.872 7.518 1.033 1.00 0.00 C ATOM 0 H VAL A 78 7.507 5.816 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 78 4.898 7.002 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 78 7.376 8.310 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.891 10.118 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.929 10.145 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.526 9.454 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.096 8.188 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.801 7.316 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.414 6.582 1.165 1.00 0.00 H new ATOM 1139 N GLU A 79 7.694 7.800 -3.519 1.00 0.00 N ATOM 1140 CA GLU A 79 8.348 8.347 -4.842 1.00 0.00 C ATOM 1141 C GLU A 79 7.760 7.755 -6.169 1.00 0.00 C ATOM 1142 O GLU A 79 7.760 8.448 -7.167 1.00 0.00 O ATOM 1143 CB GLU A 79 9.918 8.217 -4.845 1.00 0.00 C ATOM 1144 CG GLU A 79 10.664 9.300 -4.018 1.00 0.00 C ATOM 1145 CD GLU A 79 12.210 9.215 -4.059 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.829 9.854 -4.954 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.802 8.537 -3.175 1.00 0.00 O ATOM 0 H GLU A 79 8.388 7.323 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 79 8.079 9.403 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.188 7.235 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.270 8.261 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.361 10.283 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.340 9.228 -2.980 1.00 0.00 H new ATOM 1154 N ALA A 80 7.168 6.443 -6.076 1.00 0.00 N ATOM 1155 CA ALA A 80 6.351 5.699 -7.129 1.00 0.00 C ATOM 1156 C ALA A 80 4.874 6.330 -7.312 1.00 0.00 C ATOM 1157 O ALA A 80 4.288 6.266 -8.436 1.00 0.00 O ATOM 1158 CB ALA A 80 6.304 4.195 -6.770 1.00 0.00 C ATOM 0 H ALA A 80 7.270 5.888 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 80 6.840 5.812 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.721 3.660 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.318 3.795 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.840 4.069 -5.792 1.00 0.00 H new ATOM 1164 N LEU A 81 4.333 6.992 -6.135 1.00 0.00 N ATOM 1165 CA LEU A 81 2.996 7.703 -5.997 1.00 0.00 C ATOM 1166 C LEU A 81 3.022 9.244 -6.292 1.00 0.00 C ATOM 1167 O LEU A 81 2.019 9.805 -6.808 1.00 0.00 O ATOM 1168 CB LEU A 81 2.254 7.318 -4.598 1.00 0.00 C ATOM 1169 CG LEU A 81 2.129 5.773 -4.115 1.00 0.00 C ATOM 1170 CD1 LEU A 81 1.285 5.650 -2.916 1.00 0.00 C ATOM 1171 CD2 LEU A 81 1.680 4.763 -5.195 1.00 0.00 C ATOM 0 H LEU A 81 4.862 7.020 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 81 2.380 7.314 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.768 7.860 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.242 7.718 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 81 3.156 5.493 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.223 4.603 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.721 6.231 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.285 6.025 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.631 3.764 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.696 5.044 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.396 4.767 -6.017 1.00 0.00 H new ATOM 1183 N LYS A 82 4.236 9.900 -5.973 1.00 0.00 N ATOM 1184 CA LYS A 82 4.618 11.354 -6.255 1.00 0.00 C ATOM 1185 C LYS A 82 5.179 11.580 -7.752 1.00 0.00 C ATOM 1186 O LYS A 82 5.052 12.723 -8.296 1.00 0.00 O ATOM 1187 CB LYS A 82 5.627 11.903 -5.162 1.00 0.00 C ATOM 1188 CG LYS A 82 5.015 12.167 -3.690 1.00 0.00 C ATOM 1189 CD LYS A 82 6.034 12.808 -2.630 1.00 0.00 C ATOM 1190 CE LYS A 82 6.215 14.402 -2.645 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.011 15.170 -2.148 1.00 0.00 N ATOM 0 H LYS A 82 4.989 9.402 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 82 3.699 11.936 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.449 11.193 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.053 12.837 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.153 12.827 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.649 11.221 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.708 12.516 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.013 12.357 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.077 14.664 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.440 14.721 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.209 16.190 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.189 14.952 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.806 14.897 -1.166 1.00 0.00 H new ATOM 1205 N GLU A 83 5.776 10.421 -8.421 1.00 0.00 N ATOM 1206 CA GLU A 83 6.283 10.416 -9.917 1.00 0.00 C ATOM 1207 C GLU A 83 5.212 10.420 -11.089 1.00 0.00 C ATOM 1208 O GLU A 83 5.358 11.233 -12.054 1.00 0.00 O ATOM 1209 CB GLU A 83 7.493 9.441 -10.198 1.00 0.00 C ATOM 1210 CG GLU A 83 7.286 7.846 -10.298 1.00 0.00 C ATOM 1211 CD GLU A 83 8.578 7.043 -10.563 1.00 0.00 C ATOM 1212 OE1 GLU A 83 8.913 6.813 -11.756 1.00 0.00 O ATOM 1213 OE2 GLU A 83 9.239 6.621 -9.577 1.00 0.00 O ATOM 0 H GLU A 83 5.905 9.524 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 83 6.665 11.436 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.946 9.761 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.229 9.616 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.839 7.492 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.573 7.635 -11.095 1.00 0.00 H new ATOM 1220 N ALA A 84 4.098 9.500 -10.954 1.00 0.00 N ATOM 1221 CA ALA A 84 2.999 9.235 -12.000 1.00 0.00 C ATOM 1222 C ALA A 84 2.069 10.519 -12.382 1.00 0.00 C ATOM 1223 O ALA A 84 1.427 10.564 -13.481 1.00 0.00 O ATOM 1224 CB ALA A 84 2.205 7.996 -11.574 1.00 0.00 C ATOM 0 H ALA A 84 3.968 8.942 -10.110 1.00 0.00 H new ATOM 0 HA ALA A 84 3.493 9.037 -12.951 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.422 7.796 -12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.874 7.138 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.753 8.172 -10.598 1.00 0.00 H new ATOM 1230 N GLY A 85 2.098 11.552 -11.408 1.00 0.00 N ATOM 1231 CA GLY A 85 1.564 12.960 -11.506 1.00 0.00 C ATOM 1232 C GLY A 85 0.078 13.287 -11.337 1.00 0.00 C ATOM 1233 O GLY A 85 -0.247 14.362 -10.769 1.00 0.00 O ATOM 0 H GLY A 85 2.523 11.386 -10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.100 13.550 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.858 13.338 -12.485 1.00 0.00 H new ATOM 1237 N SER A 86 -0.831 12.323 -11.822 1.00 0.00 N ATOM 1238 CA SER A 86 -2.351 12.488 -11.997 1.00 0.00 C ATOM 1239 C SER A 86 -3.110 11.094 -11.938 1.00 0.00 C ATOM 1240 O SER A 86 -4.274 11.067 -11.486 1.00 0.00 O ATOM 1241 CB SER A 86 -2.628 13.237 -13.397 1.00 0.00 C ATOM 1242 OG SER A 86 -3.988 13.666 -13.588 1.00 0.00 O ATOM 0 H SER A 86 -0.515 11.395 -12.105 1.00 0.00 H new ATOM 0 HA SER A 86 -2.739 13.086 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.974 14.106 -13.465 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.354 12.568 -14.213 1.00 0.00 H new ATOM 0 HG SER A 86 -4.072 14.111 -14.457 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.415 9.942 -12.438 1.00 0.00 N ATOM 1249 CA ILE A 87 -3.000 8.521 -12.550 1.00 0.00 C ATOM 1250 C ILE A 87 -2.000 7.499 -11.880 1.00 0.00 C ATOM 1251 O ILE A 87 -0.928 7.155 -12.469 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.509 8.103 -14.161 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.549 9.187 -14.871 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.997 6.589 -14.401 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.981 9.503 -14.240 1.00 0.00 C ATOM 0 H ILE A 87 -1.450 9.994 -12.764 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.936 8.476 -11.993 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.555 8.176 -14.684 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.018 10.136 -14.942 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.721 8.841 -15.890 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.286 6.461 -15.444 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.184 5.903 -14.163 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.852 6.376 -13.759 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.498 10.236 -14.859 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.569 8.587 -14.196 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.855 9.902 -13.234 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.429 7.037 -10.632 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.678 6.051 -9.739 1.00 0.00 C ATOM 1269 C VAL A 88 -2.411 4.637 -9.565 1.00 0.00 C ATOM 1270 O VAL A 88 -3.567 4.570 -9.062 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.159 6.754 -8.371 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.269 7.149 -8.355 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -2.014 7.123 -7.120 1.00 0.00 C ATOM 0 H VAL A 88 -3.310 7.342 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.769 5.768 -10.269 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.012 6.130 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.509 7.608 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.892 6.267 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.458 7.863 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.376 7.583 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.798 7.824 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.467 6.220 -6.710 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.657 3.538 -10.008 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.118 2.054 -10.028 1.00 0.00 C ATOM 1285 C ARG A 89 -1.349 1.089 -9.018 1.00 0.00 C ATOM 1286 O ARG A 89 -0.168 0.758 -9.220 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.364 1.421 -11.538 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.246 1.480 -12.605 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.742 0.770 -13.829 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.701 0.692 -14.938 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.795 0.116 -16.237 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.918 -0.501 -16.730 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.272 0.177 -17.025 1.00 0.00 N ATOM 0 H ARG A 89 -0.708 3.651 -10.364 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.121 2.106 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.630 0.372 -11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.237 1.921 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.996 2.515 -12.839 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.337 1.008 -12.232 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.050 -0.239 -13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.627 1.283 -14.205 1.00 0.00 H new ATOM 0 HE ARG A 89 0.200 1.117 -14.717 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.757 -0.568 -16.154 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.913 -0.892 -17.672 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.126 0.627 -16.694 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.238 -0.226 -17.961 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.113 0.677 -7.922 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.711 -0.241 -6.766 1.00 0.00 C ATOM 1309 C LEU A 90 -2.238 -1.742 -6.918 1.00 0.00 C ATOM 1310 O LEU A 90 -3.399 -1.976 -7.396 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.133 0.447 -5.286 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.633 0.853 -4.809 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.453 1.799 -5.650 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.393 -0.305 -4.261 1.00 0.00 C ATOM 0 H LEU A 90 -3.077 0.995 -7.818 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.625 -0.330 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.759 -0.239 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.543 1.360 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.410 1.533 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.424 1.956 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.933 2.753 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.595 1.373 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.387 0.023 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.483 -1.076 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.866 -0.710 -3.397 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.326 -2.735 -6.482 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.563 -4.230 -6.456 1.00 0.00 C ATOM 1328 C TYR A 91 -1.457 -4.796 -4.989 1.00 0.00 C ATOM 1329 O TYR A 91 -0.307 -4.850 -4.381 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.589 -5.007 -7.520 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.941 -6.505 -7.949 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.203 -6.877 -8.469 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.002 -7.500 -7.796 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.491 -8.153 -8.804 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.270 -8.803 -8.142 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.520 -9.135 -8.646 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.791 -10.437 -9.006 1.00 0.00 O ATOM 0 H TYR A 91 -0.398 -2.489 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.584 -4.422 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.550 -4.406 -8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.417 -5.014 -7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.959 -6.117 -8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.974 -7.251 -7.396 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.466 -8.408 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.486 -9.565 -8.022 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.004 -10.995 -8.832 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.696 -5.263 -4.495 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.993 -5.787 -3.048 1.00 0.00 C ATOM 1349 C VAL A 92 -3.207 -7.420 -2.918 1.00 0.00 C ATOM 1350 O VAL A 92 -3.603 -8.105 -3.922 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.216 -4.928 -2.258 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.907 -3.432 -2.056 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.639 -5.117 -2.879 1.00 0.00 C ATOM 0 H VAL A 92 -3.526 -5.289 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.062 -5.582 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.235 -5.389 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.741 -2.954 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.003 -3.325 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.758 -2.957 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.364 -4.532 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.631 -4.780 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.915 -6.171 -2.842 1.00 0.00 H new ATOM 1363 N MET A 93 -3.026 -7.927 -1.599 1.00 0.00 N ATOM 1364 CA MET A 93 -3.056 -9.424 -1.139 1.00 0.00 C ATOM 1365 C MET A 93 -4.120 -9.743 0.025 1.00 0.00 C ATOM 1366 O MET A 93 -4.018 -9.197 1.166 1.00 0.00 O ATOM 1367 CB MET A 93 -1.545 -10.059 -0.859 1.00 0.00 C ATOM 1368 CG MET A 93 -0.584 -9.373 0.202 1.00 0.00 C ATOM 1369 SD MET A 93 1.009 -10.205 0.338 1.00 0.00 S ATOM 1370 CE MET A 93 1.813 -9.194 1.578 1.00 0.00 C ATOM 0 H MET A 93 -2.853 -7.297 -0.815 1.00 0.00 H new ATOM 0 HA MET A 93 -3.441 -9.966 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.680 -11.096 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.017 -10.075 -1.813 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.423 -8.332 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.071 -9.368 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.813 -9.583 1.772 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.886 -8.168 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.230 -9.215 2.499 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.135 -10.661 -0.333 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.276 -11.198 0.551 1.00 0.00 C ATOM 1382 C ARG A 94 -6.211 -12.784 0.629 1.00 0.00 C ATOM 1383 O ARG A 94 -5.795 -13.461 -0.352 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.746 -10.694 0.071 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.088 -9.173 0.304 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.535 -8.773 -0.129 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.650 -9.243 0.834 1.00 0.00 N ATOM 1388 CZ ARG A 94 -12.056 -9.102 0.731 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.696 -8.497 -0.321 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -12.805 -9.591 1.711 1.00 0.00 N ATOM 0 H ARG A 94 -5.175 -11.054 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.128 -10.785 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.847 -10.905 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.496 -11.294 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.959 -8.940 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.373 -8.562 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.586 -7.688 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.731 -9.185 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.324 -9.728 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.154 -8.113 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.714 -8.431 -0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.365 -10.052 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.821 -9.506 1.668 1.00 0.00 H new ATOM 1404 N ARG A 95 -6.638 -13.349 1.845 1.00 0.00 N ATOM 1405 CA ARG A 95 -6.643 -14.854 2.258 1.00 0.00 C ATOM 1406 C ARG A 95 -7.720 -15.788 1.528 1.00 0.00 C ATOM 1407 O ARG A 95 -8.879 -15.358 1.250 1.00 0.00 O ATOM 1408 CB ARG A 95 -6.677 -15.037 3.844 1.00 0.00 C ATOM 1409 CG ARG A 95 -5.323 -14.880 4.565 1.00 0.00 C ATOM 1410 CD ARG A 95 -5.459 -15.158 6.059 1.00 0.00 C ATOM 1411 NE ARG A 95 -4.134 -15.029 6.798 1.00 0.00 N ATOM 1412 CZ ARG A 95 -3.852 -15.145 8.188 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -4.798 -15.394 9.152 1.00 0.00 N ATOM 1414 NH2 ARG A 95 -2.593 -15.003 8.581 1.00 0.00 N ATOM 0 H ARG A 95 -7.001 -12.758 2.593 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.689 -15.222 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.375 -14.311 4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.075 -16.027 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.595 -15.564 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.942 -13.870 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.181 -14.465 6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.856 -16.163 6.204 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.327 -14.829 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.777 -15.509 8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.522 -15.464 10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.862 -14.817 7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.356 -15.080 9.570 1.00 0.00 H new ATOM 1428 N LYS A 96 -7.242 -17.089 1.230 1.00 0.00 N ATOM 1429 CA LYS A 96 -7.968 -18.261 0.497 1.00 0.00 C ATOM 1430 C LYS A 96 -9.318 -18.902 1.248 1.00 0.00 C ATOM 1431 O LYS A 96 -9.280 -19.008 2.507 1.00 0.00 O ATOM 1432 CB LYS A 96 -6.929 -19.423 -0.011 1.00 0.00 C ATOM 1433 CG LYS A 96 -5.932 -20.086 1.036 1.00 0.00 C ATOM 1434 CD LYS A 96 -5.139 -21.272 0.429 1.00 0.00 C ATOM 1435 CE LYS A 96 -4.136 -21.956 1.421 1.00 0.00 C ATOM 1436 NZ LYS A 96 -2.871 -21.160 1.702 1.00 0.00 N ATOM 0 H LYS A 96 -6.299 -17.363 1.506 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.388 -17.769 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.523 -20.224 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.326 -18.996 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.233 -19.331 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.497 -20.435 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.846 -22.021 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.586 -20.916 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.649 -22.140 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.854 -22.928 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.269 -21.688 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.353 -21.005 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.124 -20.242 2.119 1.00 0.00 H new ATOM 1450 N PRO A 97 -10.574 -19.338 0.444 1.00 0.00 N ATOM 1451 CA PRO A 97 -11.844 -19.988 1.086 1.00 0.00 C ATOM 1452 C PRO A 97 -11.662 -21.532 1.715 1.00 0.00 C ATOM 1453 O PRO A 97 -10.737 -22.252 1.230 1.00 0.00 O ATOM 1454 CB PRO A 97 -12.889 -19.987 -0.094 1.00 0.00 C ATOM 1455 CG PRO A 97 -12.359 -19.025 -1.118 1.00 0.00 C ATOM 1456 CD PRO A 97 -10.861 -19.160 -1.071 1.00 0.00 C ATOM 0 HA PRO A 97 -12.134 -19.419 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.000 -20.985 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.874 -19.679 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.742 -19.261 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.667 -18.004 -0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.514 -20.016 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.363 -18.278 -1.475 1.00 0.00 H new ATOM 1464 N PRO A 98 -12.566 -22.067 2.862 1.00 0.00 N ATOM 1465 CA PRO A 98 -12.463 -23.514 3.462 1.00 0.00 C ATOM 1466 C PRO A 98 -12.842 -24.751 2.472 1.00 0.00 C ATOM 1467 O PRO A 98 -13.791 -24.634 1.627 1.00 0.00 O ATOM 1468 CB PRO A 98 -13.423 -23.455 4.717 1.00 0.00 C ATOM 1469 CG PRO A 98 -13.617 -21.995 5.016 1.00 0.00 C ATOM 1470 CD PRO A 98 -13.645 -21.303 3.677 1.00 0.00 C ATOM 0 HA PRO A 98 -11.422 -23.744 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -14.375 -23.940 4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.985 -23.974 5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -14.545 -21.828 5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -12.808 -21.612 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -14.627 -21.371 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.407 -20.243 3.766 1.00 0.00 H new ATOM 1478 N ALA A 99 -12.011 -25.912 2.609 1.00 0.00 N ATOM 1479 CA ALA A 99 -12.125 -27.211 1.814 1.00 0.00 C ATOM 1480 C ALA A 99 -12.742 -28.407 2.661 1.00 0.00 C ATOM 1481 O ALA A 99 -12.091 -28.909 3.641 1.00 0.00 O ATOM 1482 CB ALA A 99 -10.763 -27.580 1.112 1.00 0.00 C ATOM 1483 OXT ALA A 99 -13.876 -28.821 2.326 1.00 0.00 O ATOM 0 H ALA A 99 -11.248 -25.943 3.286 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.847 -27.033 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.881 -28.510 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.478 -26.781 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.987 -27.705 1.867 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 7.946 -0.390 21.123 1.00 0.00 N ATOM 1491 CA VAL B 1 7.681 -1.025 19.740 1.00 0.00 C ATOM 1492 C VAL B 1 7.342 -0.062 18.575 1.00 0.00 C ATOM 1493 O VAL B 1 7.852 -0.307 17.445 1.00 0.00 O ATOM 1494 CB VAL B 1 6.855 -2.460 19.662 1.00 0.00 C ATOM 1495 CG1 VAL B 1 7.738 -3.635 20.049 1.00 0.00 C ATOM 1496 CG2 VAL B 1 5.485 -2.521 20.451 1.00 0.00 C ATOM 0 H1 VAL B 1 8.161 -1.138 21.813 1.00 0.00 H new ATOM 0 H2 VAL B 1 8.754 0.262 21.057 1.00 0.00 H new ATOM 0 H3 VAL B 1 7.102 0.134 21.432 1.00 0.00 H new ATOM 0 HA VAL B 1 8.709 -1.340 19.559 1.00 0.00 H new ATOM 0 HB VAL B 1 6.575 -2.531 18.611 1.00 0.00 H new ATOM 0 HG11 VAL B 1 7.163 -4.559 19.986 1.00 0.00 H new ATOM 0 HG12 VAL B 1 8.588 -3.690 19.370 1.00 0.00 H new ATOM 0 HG13 VAL B 1 8.097 -3.500 21.069 1.00 0.00 H new ATOM 0 HG21 VAL B 1 5.037 -3.507 20.326 1.00 0.00 H new ATOM 0 HG22 VAL B 1 5.666 -2.336 21.510 1.00 0.00 H new ATOM 0 HG23 VAL B 1 4.806 -1.762 20.061 1.00 0.00 H new ATOM 1508 N VAL B 2 6.520 1.071 18.848 1.00 0.00 N ATOM 1509 CA VAL B 2 6.074 2.084 17.758 1.00 0.00 C ATOM 1510 C VAL B 2 7.110 3.152 17.235 1.00 0.00 C ATOM 1511 O VAL B 2 7.106 4.363 17.606 1.00 0.00 O ATOM 1512 CB VAL B 2 4.490 2.418 17.537 1.00 0.00 C ATOM 1513 CG1 VAL B 2 3.763 1.198 16.922 1.00 0.00 C ATOM 1514 CG2 VAL B 2 3.740 2.910 18.823 1.00 0.00 C ATOM 0 H VAL B 2 6.169 1.293 19.780 1.00 0.00 H new ATOM 0 HA VAL B 2 6.158 1.324 16.981 1.00 0.00 H new ATOM 0 HB VAL B 2 4.463 3.260 16.845 1.00 0.00 H new ATOM 0 HG11 VAL B 2 2.709 1.436 16.781 1.00 0.00 H new ATOM 0 HG12 VAL B 2 4.212 0.954 15.959 1.00 0.00 H new ATOM 0 HG13 VAL B 2 3.855 0.343 17.592 1.00 0.00 H new ATOM 0 HG21 VAL B 2 2.695 3.107 18.582 1.00 0.00 H new ATOM 0 HG22 VAL B 2 3.796 2.141 19.593 1.00 0.00 H new ATOM 0 HG23 VAL B 2 4.207 3.824 19.189 1.00 0.00 H new ATOM 1524 N SER B 3 8.044 2.538 16.376 1.00 0.00 N ATOM 1525 CA SER B 3 9.184 3.146 15.585 1.00 0.00 C ATOM 1526 C SER B 3 8.991 2.821 14.076 1.00 0.00 C ATOM 1527 O SER B 3 9.043 1.628 13.659 1.00 0.00 O ATOM 1528 CB SER B 3 10.643 2.768 16.183 1.00 0.00 C ATOM 1529 OG SER B 3 10.874 1.351 16.295 1.00 0.00 O ATOM 0 H SER B 3 8.000 1.531 16.220 1.00 0.00 H new ATOM 0 HA SER B 3 9.154 4.231 15.687 1.00 0.00 H new ATOM 0 HB2 SER B 3 11.411 3.203 15.544 1.00 0.00 H new ATOM 0 HB3 SER B 3 10.752 3.224 17.167 1.00 0.00 H new ATOM 0 HG SER B 3 11.770 1.193 16.659 1.00 0.00 H new ATOM 1535 N GLU B 4 8.574 3.927 13.287 1.00 0.00 N ATOM 1536 CA GLU B 4 8.247 3.913 11.767 1.00 0.00 C ATOM 1537 C GLU B 4 8.392 5.315 11.042 1.00 0.00 C ATOM 1538 O GLU B 4 9.144 5.427 10.047 1.00 0.00 O ATOM 1539 CB GLU B 4 6.797 3.146 11.347 1.00 0.00 C ATOM 1540 CG GLU B 4 5.430 3.600 11.990 1.00 0.00 C ATOM 1541 CD GLU B 4 5.098 3.118 13.423 1.00 0.00 C ATOM 1542 OE1 GLU B 4 4.478 2.036 13.563 1.00 0.00 O ATOM 1543 OE2 GLU B 4 5.425 3.845 14.388 1.00 0.00 O ATOM 0 H GLU B 4 8.456 4.855 13.694 1.00 0.00 H new ATOM 0 HA GLU B 4 9.044 3.280 11.376 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.688 3.235 10.266 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.919 2.086 11.569 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.409 4.690 11.993 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.627 3.267 11.333 1.00 0.00 H new ATOM 1550 N ARG B 5 7.627 6.416 11.627 1.00 0.00 N ATOM 1551 CA ARG B 5 7.277 7.831 11.036 1.00 0.00 C ATOM 1552 C ARG B 5 6.112 7.708 9.939 1.00 0.00 C ATOM 1553 O ARG B 5 6.373 7.637 8.679 1.00 0.00 O ATOM 1554 CB ARG B 5 8.526 8.811 10.591 1.00 0.00 C ATOM 1555 CG ARG B 5 9.466 9.294 11.710 1.00 0.00 C ATOM 1556 CD ARG B 5 10.607 10.139 11.135 1.00 0.00 C ATOM 1557 NE ARG B 5 11.584 10.606 12.205 1.00 0.00 N ATOM 1558 CZ ARG B 5 12.827 11.286 12.065 1.00 0.00 C ATOM 1559 NH1 ARG B 5 13.379 11.650 10.861 1.00 0.00 N ATOM 1560 NH2 ARG B 5 13.501 11.587 13.168 1.00 0.00 N ATOM 0 H ARG B 5 7.232 6.314 12.562 1.00 0.00 H new ATOM 0 HA ARG B 5 6.901 8.395 11.890 1.00 0.00 H new ATOM 0 HB2 ARG B 5 9.125 8.282 9.850 1.00 0.00 H new ATOM 0 HB3 ARG B 5 8.109 9.688 10.096 1.00 0.00 H new ATOM 0 HG2 ARG B 5 8.903 9.881 12.436 1.00 0.00 H new ATOM 0 HG3 ARG B 5 9.876 8.436 12.243 1.00 0.00 H new ATOM 0 HD2 ARG B 5 11.144 9.557 10.386 1.00 0.00 H new ATOM 0 HD3 ARG B 5 10.190 11.007 10.625 1.00 0.00 H new ATOM 0 HE ARG B 5 11.307 10.401 13.165 1.00 0.00 H new ATOM 0 HH11 ARG B 5 12.893 11.434 9.991 1.00 0.00 H new ATOM 0 HH12 ARG B 5 14.275 12.136 10.837 1.00 0.00 H new ATOM 0 HH21 ARG B 5 13.125 11.331 14.081 1.00 0.00 H new ATOM 0 HH22 ARG B 5 14.395 12.074 13.103 1.00 0.00 H new ATOM 1574 N ILE B 6 4.801 7.553 10.493 1.00 0.00 N ATOM 1575 CA ILE B 6 3.513 7.307 9.681 1.00 0.00 C ATOM 1576 C ILE B 6 2.657 8.652 9.399 1.00 0.00 C ATOM 1577 O ILE B 6 1.604 8.938 10.040 1.00 0.00 O ATOM 1578 CB ILE B 6 2.664 5.858 10.126 1.00 0.00 C ATOM 1579 CG1 ILE B 6 1.475 5.322 9.153 1.00 0.00 C ATOM 1580 CG2 ILE B 6 2.138 5.817 11.600 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.821 4.832 7.734 1.00 0.00 C ATOM 0 H ILE B 6 4.629 7.597 11.498 1.00 0.00 H new ATOM 0 HA ILE B 6 3.817 7.047 8.667 1.00 0.00 H new ATOM 0 HB ILE B 6 3.498 5.168 10.000 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.975 4.502 9.669 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.747 6.127 9.052 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.624 4.872 11.777 1.00 0.00 H new ATOM 0 HG22 ILE B 6 2.978 5.907 12.289 1.00 0.00 H new ATOM 0 HG23 ILE B 6 1.446 6.643 11.762 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.910 4.512 7.227 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.283 5.643 7.172 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.515 3.994 7.798 1.00 0.00 H new ATOM 1593 N SER B 7 3.295 9.470 8.474 1.00 0.00 N ATOM 1594 CA SER B 7 2.802 10.817 7.859 1.00 0.00 C ATOM 1595 C SER B 7 2.796 10.781 6.214 1.00 0.00 C ATOM 1596 O SER B 7 2.746 11.857 5.513 1.00 0.00 O ATOM 1597 CB SER B 7 3.686 12.034 8.436 1.00 0.00 C ATOM 1598 OG SER B 7 3.515 12.202 9.843 1.00 0.00 O ATOM 0 H SER B 7 4.212 9.214 8.107 1.00 0.00 H new ATOM 0 HA SER B 7 1.765 10.973 8.157 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.738 11.852 8.218 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.410 12.956 7.925 1.00 0.00 H new ATOM 0 HG SER B 7 4.069 12.948 10.153 1.00 0.00 H new ATOM 1604 N SER B 8 2.688 9.475 5.633 1.00 0.00 N ATOM 1605 CA SER B 8 2.803 9.077 4.143 1.00 0.00 C ATOM 1606 C SER B 8 1.442 9.312 3.242 1.00 0.00 C ATOM 1607 O SER B 8 0.497 10.002 3.716 1.00 0.00 O ATOM 1608 CB SER B 8 3.372 7.593 4.070 1.00 0.00 C ATOM 1609 OG SER B 8 4.686 7.485 4.624 1.00 0.00 O ATOM 0 H SER B 8 2.514 8.660 6.221 1.00 0.00 H new ATOM 0 HA SER B 8 3.501 9.764 3.665 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.699 6.922 4.604 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.391 7.265 3.031 1.00 0.00 H new ATOM 0 HG SER B 8 4.933 6.540 4.699 1.00 0.00 H new ATOM 1615 N VAL B 9 1.416 8.744 1.916 1.00 0.00 N ATOM 1616 CA VAL B 9 0.313 8.928 0.840 1.00 0.00 C ATOM 1617 C VAL B 9 -0.363 7.499 0.540 1.00 0.00 C ATOM 1618 O VAL B 9 -1.562 7.370 0.774 1.00 0.00 O ATOM 1619 CB VAL B 9 0.876 9.720 -0.597 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.252 10.291 -1.482 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.859 10.912 -0.349 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.329 6.583 0.103 1.00 0.00 O ATOM 0 H VAL B 9 2.173 8.147 1.584 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.444 9.605 1.236 1.00 0.00 H new ATOM 0 HB VAL B 9 1.394 8.902 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.181 10.770 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -0.911 9.482 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.824 11.025 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.156 11.344 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.364 11.673 0.254 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.743 10.551 0.177 1.00 0.00 H new TER 1632 VAL B 9