USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -7.9! C(o=-7.9!,f=-12!) USER MOD Set 2.2: A 71 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 1.18 F(o=-1.3!,f=1.2) USER MOD Single : A 33 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= -0.876 (180deg=-1.03) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 68 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.916 -9.027 -3.378 1.00 0.00 N ATOM 64 CA HIS A 3 2.872 -8.481 -4.285 1.00 0.00 C ATOM 65 C HIS A 3 2.912 -6.954 -4.185 1.00 0.00 C ATOM 66 O HIS A 3 1.913 -6.281 -4.346 1.00 0.00 O ATOM 67 CB HIS A 3 1.493 -8.991 -3.859 1.00 0.00 C ATOM 68 CG HIS A 3 1.527 -10.490 -3.736 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.942 -11.308 -4.778 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.198 -11.334 -2.704 1.00 0.00 C ATOM 71 CE1 HIS A 3 1.853 -12.583 -4.353 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.405 -12.651 -3.098 1.00 0.00 N ATOM 0 HA HIS A 3 3.058 -8.801 -5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.207 -8.544 -2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.742 -8.693 -4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.835 -11.023 -1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.112 -13.443 -4.953 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.247 -13.493 -2.544 1.00 0.00 H new ATOM 81 N ALA A 4 4.067 -6.408 -3.905 1.00 0.00 N ATOM 82 CA ALA A 4 4.191 -4.929 -3.776 1.00 0.00 C ATOM 83 C ALA A 4 3.761 -4.258 -5.083 1.00 0.00 C ATOM 84 O ALA A 4 3.080 -3.250 -5.081 1.00 0.00 O ATOM 85 CB ALA A 4 5.647 -4.568 -3.478 1.00 0.00 C ATOM 0 H ALA A 4 4.933 -6.927 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 4 3.551 -4.582 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.742 -3.486 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.956 -5.043 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.282 -4.918 -4.292 1.00 0.00 H new ATOM 91 N SER A 5 4.157 -4.806 -6.198 1.00 0.00 N ATOM 92 CA SER A 5 3.774 -4.199 -7.503 1.00 0.00 C ATOM 93 C SER A 5 2.256 -4.256 -7.671 1.00 0.00 C ATOM 94 O SER A 5 1.658 -3.401 -8.295 1.00 0.00 O ATOM 95 CB SER A 5 4.443 -4.972 -8.641 1.00 0.00 C ATOM 96 OG SER A 5 3.877 -6.274 -8.718 1.00 0.00 O ATOM 0 H SER A 5 4.729 -5.648 -6.262 1.00 0.00 H new ATOM 0 HA SER A 5 4.101 -3.159 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.304 -4.446 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.517 -5.039 -8.469 1.00 0.00 H new ATOM 0 HG SER A 5 4.301 -6.773 -9.447 1.00 0.00 H new ATOM 102 N VAL A 6 1.625 -5.257 -7.122 1.00 0.00 N ATOM 103 CA VAL A 6 0.146 -5.364 -7.255 1.00 0.00 C ATOM 104 C VAL A 6 -0.516 -4.192 -6.530 1.00 0.00 C ATOM 105 O VAL A 6 -1.417 -3.557 -7.044 1.00 0.00 O ATOM 106 CB VAL A 6 -0.327 -6.679 -6.641 1.00 0.00 C ATOM 107 CG1 VAL A 6 -1.854 -6.703 -6.597 1.00 0.00 C ATOM 108 CG2 VAL A 6 0.177 -7.847 -7.491 1.00 0.00 C ATOM 0 H VAL A 6 2.069 -6.004 -6.588 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.128 -5.339 -8.310 1.00 0.00 H new ATOM 0 HB VAL A 6 0.066 -6.769 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.191 -7.642 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.214 -5.871 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.249 -6.613 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.160 -8.787 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.216 -7.756 -8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.266 -7.831 -7.522 1.00 0.00 H new ATOM 118 N ILE A 7 -0.069 -3.898 -5.342 1.00 0.00 N ATOM 119 CA ILE A 7 -0.664 -2.765 -4.580 1.00 0.00 C ATOM 120 C ILE A 7 -0.477 -1.475 -5.373 1.00 0.00 C ATOM 121 O ILE A 7 -1.375 -0.660 -5.489 1.00 0.00 O ATOM 122 CB ILE A 7 0.052 -2.630 -3.237 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.060 -3.947 -2.465 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.598 -1.507 -2.427 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.837 -3.889 -1.227 1.00 0.00 C ATOM 0 H ILE A 7 0.684 -4.394 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.726 -2.951 -4.417 1.00 0.00 H new ATOM 0 HB ILE A 7 1.103 -2.397 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.095 -4.121 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.235 -4.781 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.089 -1.408 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.520 -0.569 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.649 -1.742 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.758 -4.826 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.871 -3.734 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.521 -3.065 -0.587 1.00 0.00 H new ATOM 137 N ALA A 8 0.691 -1.285 -5.922 1.00 0.00 N ATOM 138 CA ALA A 8 0.951 -0.052 -6.708 1.00 0.00 C ATOM 139 C ALA A 8 -0.023 0.009 -7.887 1.00 0.00 C ATOM 140 O ALA A 8 -0.480 1.066 -8.275 1.00 0.00 O ATOM 141 CB ALA A 8 2.388 -0.082 -7.231 1.00 0.00 C ATOM 0 H ALA A 8 1.476 -1.933 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 8 0.812 0.825 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.584 0.821 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.080 -0.132 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.526 -0.956 -7.867 1.00 0.00 H new ATOM 147 N GLN A 9 -0.342 -1.117 -8.462 1.00 0.00 N ATOM 148 CA GLN A 9 -1.285 -1.125 -9.615 1.00 0.00 C ATOM 149 C GLN A 9 -2.672 -0.658 -9.165 1.00 0.00 C ATOM 150 O GLN A 9 -3.342 0.080 -9.859 1.00 0.00 O ATOM 151 CB GLN A 9 -1.386 -2.543 -10.180 1.00 0.00 C ATOM 152 CG GLN A 9 -2.206 -2.521 -11.471 1.00 0.00 C ATOM 153 CD GLN A 9 -2.390 -3.951 -11.985 1.00 0.00 C ATOM 154 OE1 GLN A 9 -1.769 -4.931 -11.387 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -3.107 -4.179 -12.939 1.00 0.00 N flip ATOM 0 H GLN A 9 0.010 -2.033 -8.183 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.913 -0.447 -10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.390 -2.939 -10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.854 -3.204 -9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.177 -2.061 -11.289 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.702 -1.915 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.592 -3.413 -13.407 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.223 -5.136 -13.272 1.00 0.00 H new ATOM 164 N PHE A 10 -3.116 -1.088 -8.017 1.00 0.00 N ATOM 165 CA PHE A 10 -4.469 -0.671 -7.542 1.00 0.00 C ATOM 166 C PHE A 10 -4.528 0.842 -7.342 1.00 0.00 C ATOM 167 O PHE A 10 -5.430 1.502 -7.818 1.00 0.00 O ATOM 168 CB PHE A 10 -4.785 -1.354 -6.210 1.00 0.00 C ATOM 169 CG PHE A 10 -5.305 -2.751 -6.449 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.638 -2.940 -6.836 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.464 -3.854 -6.269 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.128 -4.235 -7.043 1.00 0.00 C ATOM 173 CE2 PHE A 10 -4.957 -5.149 -6.474 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.287 -5.339 -6.861 1.00 0.00 C ATOM 0 H PHE A 10 -2.605 -1.707 -7.388 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.199 -0.964 -8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.888 -1.393 -5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.525 -0.772 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.287 -2.088 -6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.436 -3.707 -5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.155 -4.382 -7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.309 -6.002 -6.333 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.666 -6.338 -7.020 1.00 0.00 H new ATOM 184 N VAL A 11 -3.588 1.400 -6.636 1.00 0.00 N ATOM 185 CA VAL A 11 -3.619 2.870 -6.410 1.00 0.00 C ATOM 186 C VAL A 11 -3.465 3.591 -7.748 1.00 0.00 C ATOM 187 O VAL A 11 -4.141 4.564 -8.020 1.00 0.00 O ATOM 188 CB VAL A 11 -2.482 3.266 -5.470 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.734 2.671 -4.083 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.161 2.730 -6.018 1.00 0.00 C ATOM 0 H VAL A 11 -2.804 0.907 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.570 3.152 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.434 4.352 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.922 2.954 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.678 3.050 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.782 1.585 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.348 3.012 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.211 1.644 -6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.979 3.152 -7.007 1.00 0.00 H new ATOM 200 N VAL A 12 -2.590 3.120 -8.593 1.00 0.00 N ATOM 201 CA VAL A 12 -2.410 3.780 -9.915 1.00 0.00 C ATOM 202 C VAL A 12 -3.705 3.659 -10.723 1.00 0.00 C ATOM 203 O VAL A 12 -4.179 4.616 -11.300 1.00 0.00 O ATOM 204 CB VAL A 12 -1.262 3.105 -10.668 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.175 3.661 -12.091 1.00 0.00 C ATOM 206 CG2 VAL A 12 0.054 3.379 -9.940 1.00 0.00 C ATOM 0 H VAL A 12 -1.994 2.309 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.173 4.834 -9.771 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.445 2.031 -10.710 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.356 3.176 -12.622 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.111 3.468 -12.615 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.996 4.736 -12.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.873 2.899 -10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.229 4.454 -9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.001 2.980 -8.927 1.00 0.00 H new ATOM 216 N GLU A 13 -4.282 2.486 -10.768 1.00 0.00 N ATOM 217 CA GLU A 13 -5.544 2.301 -11.535 1.00 0.00 C ATOM 218 C GLU A 13 -6.699 3.011 -10.827 1.00 0.00 C ATOM 219 O GLU A 13 -7.657 3.432 -11.445 1.00 0.00 O ATOM 220 CB GLU A 13 -5.851 0.811 -11.646 1.00 0.00 C ATOM 221 CG GLU A 13 -4.810 0.142 -12.538 1.00 0.00 C ATOM 222 CD GLU A 13 -5.153 -1.340 -12.704 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.047 -1.801 -12.014 1.00 0.00 O ATOM 224 OE2 GLU A 13 -4.517 -1.987 -13.518 1.00 0.00 O ATOM 0 H GLU A 13 -3.931 1.648 -10.305 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.425 2.728 -12.531 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.846 0.353 -10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.849 0.664 -12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.783 0.631 -13.512 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.818 0.249 -12.100 1.00 0.00 H new ATOM 231 N GLU A 14 -6.624 3.127 -9.533 1.00 0.00 N ATOM 232 CA GLU A 14 -7.723 3.787 -8.775 1.00 0.00 C ATOM 233 C GLU A 14 -7.834 5.264 -9.163 1.00 0.00 C ATOM 234 O GLU A 14 -8.901 5.843 -9.105 1.00 0.00 O ATOM 235 CB GLU A 14 -7.441 3.677 -7.275 1.00 0.00 C ATOM 236 CG GLU A 14 -8.648 4.192 -6.487 1.00 0.00 C ATOM 237 CD GLU A 14 -8.326 4.178 -4.992 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.215 3.810 -4.648 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.197 4.537 -4.216 1.00 0.00 O ATOM 0 H GLU A 14 -5.846 2.792 -8.964 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.663 3.290 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.235 2.640 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.553 4.254 -7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.899 5.204 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.519 3.569 -6.688 1.00 0.00 H new ATOM 246 N PHE A 15 -6.747 5.889 -9.540 1.00 0.00 N ATOM 247 CA PHE A 15 -6.816 7.338 -9.906 1.00 0.00 C ATOM 248 C PHE A 15 -6.082 7.606 -11.225 1.00 0.00 C ATOM 249 O PHE A 15 -6.586 8.308 -12.081 1.00 0.00 O ATOM 250 CB PHE A 15 -6.178 8.166 -8.788 1.00 0.00 C ATOM 251 CG PHE A 15 -6.361 9.635 -9.081 1.00 0.00 C ATOM 252 CD1 PHE A 15 -7.592 10.253 -8.830 1.00 0.00 C ATOM 253 CD2 PHE A 15 -5.298 10.382 -9.605 1.00 0.00 C ATOM 254 CE1 PHE A 15 -7.761 11.615 -9.102 1.00 0.00 C ATOM 255 CE2 PHE A 15 -5.467 11.744 -9.878 1.00 0.00 C ATOM 256 CZ PHE A 15 -6.698 12.361 -9.627 1.00 0.00 C ATOM 0 H PHE A 15 -5.822 5.464 -9.610 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.862 7.619 -10.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.634 7.916 -7.830 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.117 7.930 -8.707 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.412 9.678 -8.426 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.348 9.907 -9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.711 12.091 -8.907 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.647 12.319 -10.282 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.828 13.412 -9.838 1.00 0.00 H new ATOM 266 N LEU A 16 -4.898 7.079 -11.392 1.00 0.00 N ATOM 267 CA LEU A 16 -4.139 7.337 -12.652 1.00 0.00 C ATOM 268 C LEU A 16 -3.889 6.025 -13.404 1.00 0.00 C ATOM 269 O LEU A 16 -2.815 5.464 -13.341 1.00 0.00 O ATOM 270 CB LEU A 16 -2.796 7.972 -12.296 1.00 0.00 C ATOM 271 CG LEU A 16 -2.926 9.493 -12.346 1.00 0.00 C ATOM 272 CD1 LEU A 16 -1.894 10.125 -11.411 1.00 0.00 C ATOM 273 CD2 LEU A 16 -2.683 9.979 -13.777 1.00 0.00 C ATOM 0 H LEU A 16 -4.424 6.483 -10.713 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.720 8.004 -13.289 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.484 7.655 -11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.027 7.638 -12.993 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.928 9.782 -12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.987 11.210 -11.447 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.067 9.780 -10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.892 9.836 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.776 11.064 -13.813 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.681 9.690 -14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.419 9.530 -14.444 1.00 0.00 H new ATOM 285 N PRO A 17 -4.873 5.545 -14.120 1.00 0.00 N ATOM 286 CA PRO A 17 -4.753 4.284 -14.904 1.00 0.00 C ATOM 287 C PRO A 17 -3.980 4.479 -16.213 1.00 0.00 C ATOM 288 O PRO A 17 -3.607 3.526 -16.869 1.00 0.00 O ATOM 289 CB PRO A 17 -6.203 3.896 -15.191 1.00 0.00 C ATOM 290 CG PRO A 17 -6.983 5.171 -15.145 1.00 0.00 C ATOM 291 CD PRO A 17 -6.209 6.149 -14.257 1.00 0.00 C ATOM 0 HA PRO A 17 -4.197 3.522 -14.358 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.294 3.417 -16.166 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.571 3.185 -14.451 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.109 5.580 -16.147 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.981 4.996 -14.744 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.153 7.138 -14.711 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.691 6.271 -13.287 1.00 0.00 H new ATOM 299 N ASP A 18 -3.740 5.701 -16.603 1.00 0.00 N ATOM 300 CA ASP A 18 -3.001 5.948 -17.869 1.00 0.00 C ATOM 301 C ASP A 18 -1.496 6.027 -17.594 1.00 0.00 C ATOM 302 O ASP A 18 -0.720 6.372 -18.462 1.00 0.00 O ATOM 303 CB ASP A 18 -3.484 7.266 -18.477 1.00 0.00 C ATOM 304 CG ASP A 18 -3.143 8.425 -17.538 1.00 0.00 C ATOM 305 OD1 ASP A 18 -2.374 8.211 -16.616 1.00 0.00 O ATOM 306 OD2 ASP A 18 -3.660 9.508 -17.754 1.00 0.00 O ATOM 0 H ASP A 18 -4.025 6.539 -16.097 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.187 5.129 -18.564 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.015 7.423 -19.448 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.560 7.227 -18.645 1.00 0.00 H new ATOM 311 N VAL A 19 -1.080 5.711 -16.396 1.00 0.00 N ATOM 312 CA VAL A 19 0.376 5.767 -16.066 1.00 0.00 C ATOM 313 C VAL A 19 0.865 4.377 -15.654 1.00 0.00 C ATOM 314 O VAL A 19 0.223 3.680 -14.894 1.00 0.00 O ATOM 315 CB VAL A 19 0.601 6.748 -14.915 1.00 0.00 C ATOM 316 CG1 VAL A 19 2.098 6.849 -14.615 1.00 0.00 C ATOM 317 CG2 VAL A 19 0.070 8.126 -15.313 1.00 0.00 C ATOM 0 H VAL A 19 -1.686 5.416 -15.630 1.00 0.00 H new ATOM 0 HA VAL A 19 0.932 6.100 -16.943 1.00 0.00 H new ATOM 0 HB VAL A 19 0.075 6.395 -14.028 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.258 7.548 -13.794 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.480 5.867 -14.335 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.624 7.203 -15.502 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.229 8.828 -14.494 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.598 8.477 -16.200 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.996 8.057 -15.529 1.00 0.00 H new ATOM 327 N ALA A 20 2.001 3.968 -16.153 1.00 0.00 N ATOM 328 CA ALA A 20 2.536 2.625 -15.794 1.00 0.00 C ATOM 329 C ALA A 20 3.018 2.640 -14.331 1.00 0.00 C ATOM 330 O ALA A 20 3.897 3.404 -13.986 1.00 0.00 O ATOM 331 CB ALA A 20 3.721 2.300 -16.706 1.00 0.00 C ATOM 0 H ALA A 20 2.582 4.508 -16.795 1.00 0.00 H new ATOM 0 HA ALA A 20 1.755 1.875 -15.915 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.119 1.318 -16.450 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.391 2.298 -17.745 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.499 3.052 -16.574 1.00 0.00 H new ATOM 337 N PRO A 21 2.470 1.805 -13.470 1.00 0.00 N ATOM 338 CA PRO A 21 2.897 1.758 -12.040 1.00 0.00 C ATOM 339 C PRO A 21 4.416 1.616 -11.898 1.00 0.00 C ATOM 340 O PRO A 21 4.999 2.041 -10.919 1.00 0.00 O ATOM 341 CB PRO A 21 2.205 0.513 -11.481 1.00 0.00 C ATOM 342 CG PRO A 21 1.043 0.253 -12.379 1.00 0.00 C ATOM 343 CD PRO A 21 1.393 0.836 -13.748 1.00 0.00 C ATOM 0 HA PRO A 21 2.631 2.676 -11.516 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.885 -0.338 -11.466 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.877 0.676 -10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.847 -0.816 -12.455 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.139 0.716 -11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.725 0.060 -14.437 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.531 1.321 -14.206 1.00 0.00 H new ATOM 351 N ALA A 22 5.059 1.024 -12.866 1.00 0.00 N ATOM 352 CA ALA A 22 6.537 0.858 -12.785 1.00 0.00 C ATOM 353 C ALA A 22 7.204 2.235 -12.807 1.00 0.00 C ATOM 354 O ALA A 22 8.298 2.414 -12.311 1.00 0.00 O ATOM 355 CB ALA A 22 7.025 0.036 -13.980 1.00 0.00 C ATOM 0 H ALA A 22 4.625 0.648 -13.709 1.00 0.00 H new ATOM 0 HA ALA A 22 6.795 0.342 -11.860 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.107 -0.085 -13.921 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.548 -0.944 -13.966 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.768 0.551 -14.905 1.00 0.00 H new ATOM 361 N ASP A 23 6.553 3.207 -13.385 1.00 0.00 N ATOM 362 CA ASP A 23 7.147 4.572 -13.445 1.00 0.00 C ATOM 363 C ASP A 23 6.900 5.301 -12.123 1.00 0.00 C ATOM 364 O ASP A 23 7.205 6.470 -11.985 1.00 0.00 O ATOM 365 CB ASP A 23 6.504 5.356 -14.590 1.00 0.00 C ATOM 366 CG ASP A 23 7.208 6.706 -14.743 1.00 0.00 C ATOM 367 OD1 ASP A 23 8.196 6.918 -14.059 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.750 7.504 -15.543 1.00 0.00 O ATOM 0 H ASP A 23 5.634 3.114 -13.819 1.00 0.00 H new ATOM 0 HA ASP A 23 8.221 4.492 -13.616 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.576 4.789 -15.518 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.443 5.508 -14.390 1.00 0.00 H new ATOM 373 N VAL A 24 6.349 4.625 -11.150 1.00 0.00 N ATOM 374 CA VAL A 24 6.084 5.286 -9.839 1.00 0.00 C ATOM 375 C VAL A 24 7.058 4.751 -8.794 1.00 0.00 C ATOM 376 O VAL A 24 7.243 3.558 -8.659 1.00 0.00 O ATOM 377 CB VAL A 24 4.662 4.968 -9.382 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.290 5.870 -8.204 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.686 5.202 -10.538 1.00 0.00 C ATOM 0 H VAL A 24 6.071 3.645 -11.206 1.00 0.00 H new ATOM 0 HA VAL A 24 6.208 6.363 -9.952 1.00 0.00 H new ATOM 0 HB VAL A 24 4.607 3.925 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.275 5.643 -7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.983 5.697 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.347 6.914 -8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.672 4.974 -10.210 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.740 6.244 -10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.950 4.555 -11.374 1.00 0.00 H new ATOM 389 N ASP A 25 7.674 5.618 -8.041 1.00 0.00 N ATOM 390 CA ASP A 25 8.621 5.139 -7.000 1.00 0.00 C ATOM 391 C ASP A 25 7.853 4.898 -5.702 1.00 0.00 C ATOM 392 O ASP A 25 7.251 5.800 -5.152 1.00 0.00 O ATOM 393 CB ASP A 25 9.695 6.202 -6.760 1.00 0.00 C ATOM 394 CG ASP A 25 10.542 6.366 -8.023 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.447 5.515 -8.892 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.273 7.341 -8.100 1.00 0.00 O ATOM 0 H ASP A 25 7.563 6.630 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 25 9.093 4.213 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.229 7.151 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.327 5.912 -5.921 1.00 0.00 H new ATOM 401 N VAL A 26 7.870 3.696 -5.197 1.00 0.00 N ATOM 402 CA VAL A 26 7.143 3.423 -3.931 1.00 0.00 C ATOM 403 C VAL A 26 7.962 3.964 -2.761 1.00 0.00 C ATOM 404 O VAL A 26 7.584 3.838 -1.613 1.00 0.00 O ATOM 405 CB VAL A 26 6.961 1.914 -3.775 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.247 1.354 -5.006 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.332 1.249 -3.636 1.00 0.00 C ATOM 0 H VAL A 26 8.354 2.896 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 26 6.167 3.907 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 26 6.364 1.711 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.118 0.278 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.271 1.828 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.843 1.557 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.204 0.172 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.928 1.454 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.842 1.647 -2.759 1.00 0.00 H new ATOM 417 N ASP A 27 9.075 4.588 -3.045 1.00 0.00 N ATOM 418 CA ASP A 27 9.912 5.161 -1.958 1.00 0.00 C ATOM 419 C ASP A 27 9.295 6.481 -1.506 1.00 0.00 C ATOM 420 O ASP A 27 9.426 6.888 -0.369 1.00 0.00 O ATOM 421 CB ASP A 27 11.327 5.404 -2.484 1.00 0.00 C ATOM 422 CG ASP A 27 11.986 4.065 -2.818 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.453 3.046 -2.408 1.00 0.00 O ATOM 424 OD2 ASP A 27 13.012 4.080 -3.479 1.00 0.00 O ATOM 0 H ASP A 27 9.439 4.724 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 27 9.957 4.470 -1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.293 6.036 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.917 5.935 -1.737 1.00 0.00 H new ATOM 429 N LEU A 28 8.613 7.147 -2.396 1.00 0.00 N ATOM 430 CA LEU A 28 7.970 8.438 -2.035 1.00 0.00 C ATOM 431 C LEU A 28 6.632 8.143 -1.370 1.00 0.00 C ATOM 432 O LEU A 28 5.911 7.253 -1.774 1.00 0.00 O ATOM 433 CB LEU A 28 7.748 9.265 -3.302 1.00 0.00 C ATOM 434 CG LEU A 28 7.137 10.621 -2.935 1.00 0.00 C ATOM 435 CD1 LEU A 28 8.161 11.459 -2.165 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.740 11.360 -4.216 1.00 0.00 C ATOM 0 H LEU A 28 8.474 6.850 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 28 8.607 8.999 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.694 9.411 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.088 8.731 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 28 6.257 10.463 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.722 12.422 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.449 10.935 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.043 11.617 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.305 12.326 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.623 11.514 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.009 10.767 -4.766 1.00 0.00 H new ATOM 448 N ASP A 29 6.296 8.863 -0.339 1.00 0.00 N ATOM 449 CA ASP A 29 5.010 8.589 0.349 1.00 0.00 C ATOM 450 C ASP A 29 3.861 8.692 -0.654 1.00 0.00 C ATOM 451 O ASP A 29 3.773 9.625 -1.427 1.00 0.00 O ATOM 452 CB ASP A 29 4.804 9.600 1.479 1.00 0.00 C ATOM 453 CG ASP A 29 5.864 9.383 2.560 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.521 8.355 2.519 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.002 10.247 3.409 1.00 0.00 O ATOM 0 H ASP A 29 6.852 9.623 0.053 1.00 0.00 H new ATOM 0 HA ASP A 29 5.032 7.583 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.870 10.616 1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.807 9.487 1.905 1.00 0.00 H new ATOM 460 N LEU A 30 2.989 7.726 -0.646 1.00 0.00 N ATOM 461 CA LEU A 30 1.841 7.729 -1.592 1.00 0.00 C ATOM 462 C LEU A 30 0.908 8.907 -1.301 1.00 0.00 C ATOM 463 O LEU A 30 0.342 9.496 -2.198 1.00 0.00 O ATOM 464 CB LEU A 30 1.070 6.417 -1.439 1.00 0.00 C ATOM 465 CG LEU A 30 -0.056 6.361 -2.471 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.542 6.346 -3.878 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.878 5.087 -2.256 1.00 0.00 C ATOM 0 H LEU A 30 3.023 6.924 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 30 2.217 7.828 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.743 5.570 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.659 6.340 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.698 7.235 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.261 6.306 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.131 7.250 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.182 5.471 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.682 5.044 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.234 4.215 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.304 5.094 -1.253 1.00 0.00 H new ATOM 479 N VAL A 31 0.726 9.243 -0.056 1.00 0.00 N ATOM 480 CA VAL A 31 -0.190 10.372 0.280 1.00 0.00 C ATOM 481 C VAL A 31 0.339 11.682 -0.300 1.00 0.00 C ATOM 482 O VAL A 31 -0.422 12.535 -0.711 1.00 0.00 O ATOM 483 CB VAL A 31 -0.318 10.502 1.792 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.104 11.774 2.112 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.066 9.286 2.336 1.00 0.00 C ATOM 0 H VAL A 31 1.169 8.788 0.742 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.168 10.164 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 31 0.669 10.555 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.203 11.879 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.576 12.639 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.095 11.713 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.162 9.372 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.058 9.238 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.513 8.379 2.091 1.00 0.00 H new ATOM 495 N ASP A 32 1.628 11.858 -0.340 1.00 0.00 N ATOM 496 CA ASP A 32 2.172 13.125 -0.898 1.00 0.00 C ATOM 497 C ASP A 32 1.559 13.339 -2.279 1.00 0.00 C ATOM 498 O ASP A 32 1.314 14.451 -2.702 1.00 0.00 O ATOM 499 CB ASP A 32 3.695 13.025 -1.020 1.00 0.00 C ATOM 500 CG ASP A 32 4.318 12.996 0.377 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.598 13.243 1.331 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.504 12.729 0.470 1.00 0.00 O ATOM 0 H ASP A 32 2.323 11.187 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 32 1.928 13.961 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.968 12.125 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.082 13.873 -1.585 1.00 0.00 H new ATOM 507 N ASN A 33 1.305 12.271 -2.979 1.00 0.00 N ATOM 508 CA ASN A 33 0.697 12.382 -4.331 1.00 0.00 C ATOM 509 C ASN A 33 -0.763 12.825 -4.213 1.00 0.00 C ATOM 510 O ASN A 33 -1.277 13.536 -5.055 1.00 0.00 O ATOM 511 CB ASN A 33 0.747 11.017 -5.006 1.00 0.00 C ATOM 512 CG ASN A 33 2.198 10.653 -5.326 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.061 11.507 -5.339 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.504 9.411 -5.585 1.00 0.00 N ATOM 0 H ASN A 33 1.494 11.318 -2.669 1.00 0.00 H new ATOM 0 HA ASN A 33 1.249 13.116 -4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.308 10.262 -4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.155 11.031 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.469 9.157 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.779 8.694 -5.574 1.00 0.00 H new ATOM 521 N GLY A 34 -1.439 12.402 -3.182 1.00 0.00 N ATOM 522 CA GLY A 34 -2.870 12.784 -3.017 1.00 0.00 C ATOM 523 C GLY A 34 -3.745 11.731 -3.689 1.00 0.00 C ATOM 524 O GLY A 34 -4.953 11.847 -3.738 1.00 0.00 O ATOM 0 H GLY A 34 -1.062 11.807 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.120 12.861 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.052 13.763 -3.460 1.00 0.00 H new ATOM 528 N VAL A 35 -3.140 10.694 -4.199 1.00 0.00 N ATOM 529 CA VAL A 35 -3.928 9.621 -4.858 1.00 0.00 C ATOM 530 C VAL A 35 -4.883 9.016 -3.832 1.00 0.00 C ATOM 531 O VAL A 35 -5.948 8.533 -4.162 1.00 0.00 O ATOM 532 CB VAL A 35 -2.984 8.536 -5.381 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.802 7.352 -5.899 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.137 9.107 -6.522 1.00 0.00 C ATOM 0 H VAL A 35 -2.131 10.545 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.492 10.035 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.333 8.201 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.129 6.580 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.407 6.946 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.454 7.685 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.464 8.336 -6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.790 9.441 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.553 9.951 -6.155 1.00 0.00 H new ATOM 544 N ILE A 36 -4.503 9.040 -2.583 1.00 0.00 N ATOM 545 CA ILE A 36 -5.379 8.467 -1.527 1.00 0.00 C ATOM 546 C ILE A 36 -6.217 9.583 -0.901 1.00 0.00 C ATOM 547 O ILE A 36 -5.722 10.645 -0.582 1.00 0.00 O ATOM 548 CB ILE A 36 -4.515 7.818 -0.448 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.607 6.772 -1.084 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.409 7.135 0.580 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.607 6.267 -0.043 1.00 0.00 C ATOM 0 H ILE A 36 -3.622 9.433 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.038 7.718 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.913 8.586 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.202 5.942 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.078 7.202 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.791 6.672 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.067 7.874 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.010 6.370 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.957 5.519 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.005 7.101 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.146 5.821 0.793 1.00 0.00 H new ATOM 563 N ASP A 37 -7.482 9.341 -0.724 1.00 0.00 N ATOM 564 CA ASP A 37 -8.371 10.371 -0.122 1.00 0.00 C ATOM 565 C ASP A 37 -9.330 9.692 0.859 1.00 0.00 C ATOM 566 O ASP A 37 -9.177 8.532 1.187 1.00 0.00 O ATOM 567 CB ASP A 37 -9.176 11.062 -1.225 1.00 0.00 C ATOM 568 CG ASP A 37 -9.886 12.289 -0.650 1.00 0.00 C ATOM 569 OD1 ASP A 37 -9.604 12.634 0.485 1.00 0.00 O ATOM 570 OD2 ASP A 37 -10.701 12.861 -1.355 1.00 0.00 O ATOM 0 H ASP A 37 -7.944 8.466 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.769 11.113 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.515 11.360 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.906 10.370 -1.644 1.00 0.00 H new ATOM 575 N ALA A 38 -10.318 10.403 1.332 1.00 0.00 N ATOM 576 CA ALA A 38 -11.280 9.786 2.289 1.00 0.00 C ATOM 577 C ALA A 38 -11.989 8.628 1.594 1.00 0.00 C ATOM 578 O ALA A 38 -11.971 7.504 2.059 1.00 0.00 O ATOM 579 CB ALA A 38 -12.310 10.831 2.725 1.00 0.00 C ATOM 0 H ALA A 38 -10.500 11.379 1.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.748 9.421 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.013 10.379 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.801 11.664 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.851 11.195 1.852 1.00 0.00 H new ATOM 585 N LEU A 39 -12.580 8.886 0.464 1.00 0.00 N ATOM 586 CA LEU A 39 -13.251 7.797 -0.284 1.00 0.00 C ATOM 587 C LEU A 39 -12.162 6.882 -0.819 1.00 0.00 C ATOM 588 O LEU A 39 -12.328 5.684 -0.931 1.00 0.00 O ATOM 589 CB LEU A 39 -14.054 8.382 -1.446 1.00 0.00 C ATOM 590 CG LEU A 39 -15.259 9.151 -0.904 1.00 0.00 C ATOM 591 CD1 LEU A 39 -14.791 10.429 -0.203 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.191 9.517 -2.062 1.00 0.00 C ATOM 0 H LEU A 39 -12.626 9.807 0.027 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.936 7.249 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.424 9.045 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.388 7.583 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.791 8.525 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.655 10.971 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.130 10.169 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.254 11.058 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.051 10.065 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.654 10.139 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.532 8.607 -2.556 1.00 0.00 H new ATOM 604 N GLY A 40 -11.034 7.454 -1.138 1.00 0.00 N ATOM 605 CA GLY A 40 -9.905 6.645 -1.658 1.00 0.00 C ATOM 606 C GLY A 40 -9.523 5.598 -0.615 1.00 0.00 C ATOM 607 O GLY A 40 -9.318 4.441 -0.925 1.00 0.00 O ATOM 0 H GLY A 40 -10.848 8.454 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.188 6.160 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.052 7.287 -1.878 1.00 0.00 H new ATOM 611 N LEU A 41 -9.437 5.995 0.623 1.00 0.00 N ATOM 612 CA LEU A 41 -9.084 5.029 1.693 1.00 0.00 C ATOM 613 C LEU A 41 -10.194 3.987 1.815 1.00 0.00 C ATOM 614 O LEU A 41 -9.945 2.810 1.988 1.00 0.00 O ATOM 615 CB LEU A 41 -8.928 5.787 3.012 1.00 0.00 C ATOM 616 CG LEU A 41 -8.445 4.835 4.104 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.456 5.571 5.009 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.641 4.367 4.938 1.00 0.00 C ATOM 0 H LEU A 41 -9.597 6.952 0.939 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.148 4.525 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.218 6.605 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.880 6.232 3.301 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.958 3.972 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.107 4.897 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.606 5.912 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.949 6.430 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.297 3.687 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.125 5.230 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.353 3.850 4.295 1.00 0.00 H new ATOM 630 N LEU A 42 -11.424 4.408 1.719 1.00 0.00 N ATOM 631 CA LEU A 42 -12.545 3.436 1.823 1.00 0.00 C ATOM 632 C LEU A 42 -12.402 2.396 0.714 1.00 0.00 C ATOM 633 O LEU A 42 -12.528 1.207 0.936 1.00 0.00 O ATOM 634 CB LEU A 42 -13.870 4.186 1.644 1.00 0.00 C ATOM 635 CG LEU A 42 -15.045 3.208 1.724 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.623 3.214 3.140 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.123 3.631 0.725 1.00 0.00 C ATOM 0 H LEU A 42 -11.700 5.379 1.574 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.527 2.944 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.971 4.951 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.879 4.699 0.682 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.700 2.202 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.459 2.517 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.852 2.912 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.970 4.217 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.962 2.937 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.468 4.636 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.709 3.622 -0.283 1.00 0.00 H new ATOM 649 N LYS A 43 -12.141 2.840 -0.476 1.00 0.00 N ATOM 650 CA LYS A 43 -11.988 1.889 -1.605 1.00 0.00 C ATOM 651 C LYS A 43 -10.818 0.949 -1.323 1.00 0.00 C ATOM 652 O LYS A 43 -10.840 -0.213 -1.679 1.00 0.00 O ATOM 653 CB LYS A 43 -11.723 2.664 -2.893 1.00 0.00 C ATOM 654 CG LYS A 43 -12.958 3.486 -3.265 1.00 0.00 C ATOM 655 CD LYS A 43 -12.725 4.173 -4.613 1.00 0.00 C ATOM 656 CE LYS A 43 -13.908 5.091 -4.930 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.807 6.332 -4.111 1.00 0.00 N ATOM 0 H LYS A 43 -12.026 3.824 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.903 1.306 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.863 3.321 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.477 1.974 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.835 2.841 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.158 4.231 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.801 4.750 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.610 3.426 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.913 5.342 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.847 4.579 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.757 6.622 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.212 6.150 -3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.382 7.091 -4.681 1.00 0.00 H new ATOM 671 N VAL A 44 -9.795 1.442 -0.685 1.00 0.00 N ATOM 672 CA VAL A 44 -8.624 0.577 -0.380 1.00 0.00 C ATOM 673 C VAL A 44 -9.081 -0.600 0.476 1.00 0.00 C ATOM 674 O VAL A 44 -8.683 -1.726 0.264 1.00 0.00 O ATOM 675 CB VAL A 44 -7.572 1.385 0.381 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.449 0.455 0.844 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.992 2.461 -0.541 1.00 0.00 C ATOM 0 H VAL A 44 -9.719 2.406 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.190 0.209 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.034 1.857 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.700 1.031 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.860 -0.313 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.986 -0.017 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.242 3.038 -0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.530 1.987 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.790 3.125 -0.873 1.00 0.00 H new ATOM 687 N ILE A 45 -9.908 -0.345 1.448 1.00 0.00 N ATOM 688 CA ILE A 45 -10.385 -1.439 2.332 1.00 0.00 C ATOM 689 C ILE A 45 -11.270 -2.419 1.554 1.00 0.00 C ATOM 690 O ILE A 45 -11.230 -3.612 1.779 1.00 0.00 O ATOM 691 CB ILE A 45 -11.202 -0.836 3.471 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.434 0.323 4.113 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.464 -1.907 4.522 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.950 -0.025 4.237 1.00 0.00 C ATOM 0 H ILE A 45 -10.276 0.580 1.669 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.520 -1.977 2.721 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.147 -0.463 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.554 1.224 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.847 0.540 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.048 -1.481 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.018 -2.731 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.515 -2.277 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.418 0.809 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.835 -0.914 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.538 -0.218 3.247 1.00 0.00 H new ATOM 706 N ALA A 46 -12.092 -1.927 0.669 1.00 0.00 N ATOM 707 CA ALA A 46 -13.007 -2.837 -0.085 1.00 0.00 C ATOM 708 C ALA A 46 -12.230 -3.797 -0.994 1.00 0.00 C ATOM 709 O ALA A 46 -12.460 -4.992 -0.984 1.00 0.00 O ATOM 710 CB ALA A 46 -13.945 -1.992 -0.944 1.00 0.00 C ATOM 0 H ALA A 46 -12.172 -0.938 0.434 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.567 -3.432 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.618 -2.646 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.528 -1.331 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.359 -1.396 -1.644 1.00 0.00 H new ATOM 716 N TRP A 47 -11.321 -3.302 -1.786 1.00 0.00 N ATOM 717 CA TRP A 47 -10.567 -4.221 -2.689 1.00 0.00 C ATOM 718 C TRP A 47 -9.443 -4.906 -1.916 1.00 0.00 C ATOM 719 O TRP A 47 -9.217 -6.092 -2.053 1.00 0.00 O ATOM 720 CB TRP A 47 -9.974 -3.436 -3.862 1.00 0.00 C ATOM 721 CG TRP A 47 -8.503 -3.696 -3.935 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.928 -4.879 -4.254 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.414 -2.769 -3.686 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.552 -4.736 -4.197 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.188 -3.450 -3.852 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.379 -1.415 -3.330 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.963 -2.805 -3.666 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.152 -0.758 -3.143 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.945 -1.454 -3.309 1.00 0.00 C ATOM 0 H TRP A 47 -11.068 -2.316 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.254 -4.976 -3.072 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.455 -3.733 -4.794 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.161 -2.370 -3.733 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.456 -5.786 -4.511 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.889 -5.488 -4.386 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.303 -0.872 -3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.037 -3.346 -3.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.137 0.287 -2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.003 -0.946 -3.161 1.00 0.00 H new ATOM 740 N LEU A 48 -8.722 -4.170 -1.123 1.00 0.00 N ATOM 741 CA LEU A 48 -7.599 -4.783 -0.365 1.00 0.00 C ATOM 742 C LEU A 48 -8.121 -5.910 0.528 1.00 0.00 C ATOM 743 O LEU A 48 -7.516 -6.958 0.633 1.00 0.00 O ATOM 744 CB LEU A 48 -6.937 -3.713 0.505 1.00 0.00 C ATOM 745 CG LEU A 48 -5.646 -4.261 1.108 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.569 -4.370 0.024 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.166 -3.314 2.210 1.00 0.00 C ATOM 0 H LEU A 48 -8.860 -3.172 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.874 -5.193 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.722 -2.827 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.617 -3.405 1.299 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.833 -5.250 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.651 -4.762 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.911 -5.042 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.377 -3.384 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.244 -3.700 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.982 -2.327 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.929 -3.240 2.984 1.00 0.00 H new ATOM 759 N GLU A 49 -9.237 -5.710 1.175 1.00 0.00 N ATOM 760 CA GLU A 49 -9.779 -6.780 2.057 1.00 0.00 C ATOM 761 C GLU A 49 -10.331 -7.922 1.199 1.00 0.00 C ATOM 762 O GLU A 49 -10.216 -9.081 1.544 1.00 0.00 O ATOM 763 CB GLU A 49 -10.893 -6.204 2.935 1.00 0.00 C ATOM 764 CG GLU A 49 -12.146 -5.978 2.094 1.00 0.00 C ATOM 765 CD GLU A 49 -12.985 -7.258 2.062 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.491 -8.278 2.512 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.107 -7.194 1.588 1.00 0.00 O ATOM 0 H GLU A 49 -9.794 -4.856 1.131 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.982 -7.164 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.112 -6.887 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.568 -5.264 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.732 -5.158 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.868 -5.689 1.081 1.00 0.00 H new ATOM 774 N ASP A 50 -10.932 -7.604 0.085 1.00 0.00 N ATOM 775 CA ASP A 50 -11.494 -8.670 -0.792 1.00 0.00 C ATOM 776 C ASP A 50 -10.382 -9.609 -1.273 1.00 0.00 C ATOM 777 O ASP A 50 -10.575 -10.802 -1.397 1.00 0.00 O ATOM 778 CB ASP A 50 -12.157 -8.018 -2.003 1.00 0.00 C ATOM 779 CG ASP A 50 -12.921 -9.075 -2.801 1.00 0.00 C ATOM 780 OD1 ASP A 50 -12.989 -10.203 -2.340 1.00 0.00 O ATOM 781 OD2 ASP A 50 -13.425 -8.741 -3.860 1.00 0.00 O ATOM 0 H ASP A 50 -11.058 -6.651 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.224 -9.249 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.838 -7.231 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.403 -7.547 -2.633 1.00 0.00 H new ATOM 786 N ARG A 51 -9.231 -9.075 -1.569 1.00 0.00 N ATOM 787 CA ARG A 51 -8.111 -9.922 -2.071 1.00 0.00 C ATOM 788 C ARG A 51 -7.696 -10.972 -1.036 1.00 0.00 C ATOM 789 O ARG A 51 -7.345 -12.081 -1.385 1.00 0.00 O ATOM 790 CB ARG A 51 -6.917 -9.025 -2.387 1.00 0.00 C ATOM 791 CG ARG A 51 -7.296 -8.032 -3.488 1.00 0.00 C ATOM 792 CD ARG A 51 -7.096 -8.676 -4.863 1.00 0.00 C ATOM 793 NE ARG A 51 -5.653 -8.994 -5.056 1.00 0.00 N ATOM 794 CZ ARG A 51 -5.216 -9.354 -6.232 1.00 0.00 C ATOM 795 NH1 ARG A 51 -6.043 -9.439 -7.238 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.952 -9.631 -6.401 1.00 0.00 N ATOM 0 H ARG A 51 -9.015 -8.082 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.447 -10.445 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.606 -8.488 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.069 -9.631 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.335 -7.723 -3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.685 -7.133 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.693 -9.584 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.439 -8.000 -5.647 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.007 -8.930 -4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.031 -9.224 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.701 -9.720 -8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.306 -9.566 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.610 -9.912 -7.320 1.00 0.00 H new ATOM 810 N PHE A 52 -7.711 -10.643 0.227 1.00 0.00 N ATOM 811 CA PHE A 52 -7.290 -11.638 1.248 1.00 0.00 C ATOM 812 C PHE A 52 -8.515 -12.339 1.838 1.00 0.00 C ATOM 813 O PHE A 52 -8.395 -13.291 2.582 1.00 0.00 O ATOM 814 CB PHE A 52 -6.508 -10.918 2.346 1.00 0.00 C ATOM 815 CG PHE A 52 -5.191 -10.448 1.779 1.00 0.00 C ATOM 816 CD1 PHE A 52 -5.138 -9.274 1.020 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.026 -11.193 1.999 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.920 -8.842 0.483 1.00 0.00 C ATOM 819 CE2 PHE A 52 -2.807 -10.761 1.462 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.755 -9.586 0.704 1.00 0.00 C ATOM 0 H PHE A 52 -7.995 -9.734 0.592 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.656 -12.394 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.080 -10.070 2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.338 -11.588 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.037 -8.701 0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.068 -12.101 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.879 -7.935 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.908 -11.334 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.815 -9.253 0.289 1.00 0.00 H new ATOM 830 N GLY A 53 -9.692 -11.882 1.512 1.00 0.00 N ATOM 831 CA GLY A 53 -10.912 -12.532 2.055 1.00 0.00 C ATOM 832 C GLY A 53 -11.021 -12.210 3.538 1.00 0.00 C ATOM 833 O GLY A 53 -11.518 -12.996 4.320 1.00 0.00 O ATOM 0 H GLY A 53 -9.859 -11.088 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.796 -12.177 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.863 -13.611 1.906 1.00 0.00 H new ATOM 837 N ILE A 54 -10.546 -11.060 3.933 1.00 0.00 N ATOM 838 CA ILE A 54 -10.604 -10.685 5.369 1.00 0.00 C ATOM 839 C ILE A 54 -11.639 -9.577 5.575 1.00 0.00 C ATOM 840 O ILE A 54 -11.926 -8.807 4.682 1.00 0.00 O ATOM 841 CB ILE A 54 -9.225 -10.196 5.809 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.847 -8.956 4.996 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.195 -11.301 5.573 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.451 -8.487 5.401 1.00 0.00 C ATOM 0 H ILE A 54 -10.120 -10.365 3.320 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.894 -11.551 5.964 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.245 -9.943 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.870 -9.186 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.573 -8.161 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.210 -10.954 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.469 -12.184 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.170 -11.555 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.182 -7.604 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.444 -8.241 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.730 -9.281 5.208 1.00 0.00 H new ATOM 856 N ALA A 55 -12.204 -9.499 6.747 1.00 0.00 N ATOM 857 CA ALA A 55 -13.227 -8.450 7.017 1.00 0.00 C ATOM 858 C ALA A 55 -12.603 -7.335 7.859 1.00 0.00 C ATOM 859 O ALA A 55 -11.639 -7.544 8.568 1.00 0.00 O ATOM 860 CB ALA A 55 -14.402 -9.066 7.779 1.00 0.00 C ATOM 0 H ALA A 55 -12.001 -10.118 7.532 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.583 -8.038 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.150 -8.298 7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.847 -9.861 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.047 -9.478 8.724 1.00 0.00 H new ATOM 866 N ALA A 56 -13.147 -6.152 7.786 1.00 0.00 N ATOM 867 CA ALA A 56 -12.586 -5.025 8.580 1.00 0.00 C ATOM 868 C ALA A 56 -12.615 -5.389 10.067 1.00 0.00 C ATOM 869 O ALA A 56 -11.835 -4.891 10.852 1.00 0.00 O ATOM 870 CB ALA A 56 -13.427 -3.768 8.347 1.00 0.00 C ATOM 0 H ALA A 56 -13.956 -5.918 7.211 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.558 -4.836 8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.016 -2.943 8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.410 -3.510 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.455 -3.955 8.658 1.00 0.00 H new ATOM 876 N ASP A 57 -13.520 -6.249 10.457 1.00 0.00 N ATOM 877 CA ASP A 57 -13.617 -6.651 11.884 1.00 0.00 C ATOM 878 C ASP A 57 -13.875 -5.414 12.734 1.00 0.00 C ATOM 879 O ASP A 57 -13.368 -5.280 13.830 1.00 0.00 O ATOM 880 CB ASP A 57 -12.320 -7.329 12.320 1.00 0.00 C ATOM 881 CG ASP A 57 -12.472 -7.853 13.749 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.567 -7.763 14.279 1.00 0.00 O ATOM 883 OD2 ASP A 57 -11.490 -8.334 14.290 1.00 0.00 O ATOM 0 H ASP A 57 -14.200 -6.692 9.839 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.439 -7.355 12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.082 -8.150 11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.492 -6.622 12.267 1.00 0.00 H new ATOM 888 N ASP A 58 -14.677 -4.511 12.236 1.00 0.00 N ATOM 889 CA ASP A 58 -14.994 -3.282 13.008 1.00 0.00 C ATOM 890 C ASP A 58 -13.706 -2.567 13.423 1.00 0.00 C ATOM 891 O ASP A 58 -13.565 -2.129 14.548 1.00 0.00 O ATOM 892 CB ASP A 58 -15.793 -3.673 14.247 1.00 0.00 C ATOM 893 CG ASP A 58 -17.181 -4.160 13.827 1.00 0.00 C ATOM 894 OD1 ASP A 58 -17.524 -3.982 12.669 1.00 0.00 O ATOM 895 OD2 ASP A 58 -17.876 -4.702 14.670 1.00 0.00 O ATOM 0 H ASP A 58 -15.127 -4.575 11.323 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.579 -2.603 12.387 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.272 -4.457 14.796 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.883 -2.819 14.919 1.00 0.00 H new ATOM 900 N VAL A 59 -12.771 -2.434 12.518 1.00 0.00 N ATOM 901 CA VAL A 59 -11.495 -1.734 12.850 1.00 0.00 C ATOM 902 C VAL A 59 -11.323 -0.537 11.914 1.00 0.00 C ATOM 903 O VAL A 59 -11.517 -0.642 10.719 1.00 0.00 O ATOM 904 CB VAL A 59 -10.319 -2.692 12.670 1.00 0.00 C ATOM 905 CG1 VAL A 59 -9.021 -1.987 13.064 1.00 0.00 C ATOM 906 CG2 VAL A 59 -10.520 -3.918 13.562 1.00 0.00 C ATOM 0 H VAL A 59 -12.837 -2.781 11.561 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.525 -1.393 13.885 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.262 -3.004 11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.182 -2.671 12.935 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.876 -1.112 12.431 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.078 -1.675 14.107 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.681 -4.602 13.434 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.577 -3.604 14.604 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.445 -4.422 13.284 1.00 0.00 H new ATOM 916 N GLU A 60 -10.964 0.600 12.445 1.00 0.00 N ATOM 917 CA GLU A 60 -10.785 1.798 11.578 1.00 0.00 C ATOM 918 C GLU A 60 -9.294 2.043 11.340 1.00 0.00 C ATOM 919 O GLU A 60 -8.503 2.066 12.261 1.00 0.00 O ATOM 920 CB GLU A 60 -11.397 3.019 12.266 1.00 0.00 C ATOM 921 CG GLU A 60 -11.345 4.216 11.324 1.00 0.00 C ATOM 922 CD GLU A 60 -11.859 5.462 12.047 1.00 0.00 C ATOM 923 OE1 GLU A 60 -12.197 5.348 13.214 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.908 6.508 11.422 1.00 0.00 O ATOM 0 H GLU A 60 -10.788 0.751 13.438 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.281 1.630 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.429 2.811 12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.854 3.242 13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.323 4.378 10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.951 4.021 10.439 1.00 0.00 H new ATOM 931 N LEU A 61 -8.908 2.229 10.108 1.00 0.00 N ATOM 932 CA LEU A 61 -7.478 2.476 9.801 1.00 0.00 C ATOM 933 C LEU A 61 -7.256 3.978 9.617 1.00 0.00 C ATOM 934 O LEU A 61 -8.097 4.677 9.088 1.00 0.00 O ATOM 935 CB LEU A 61 -7.113 1.743 8.512 1.00 0.00 C ATOM 936 CG LEU A 61 -7.449 0.260 8.652 1.00 0.00 C ATOM 937 CD1 LEU A 61 -6.999 -0.489 7.396 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.729 -0.315 9.873 1.00 0.00 C ATOM 0 H LEU A 61 -9.528 2.220 9.298 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.853 2.114 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.658 2.172 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.051 1.867 8.300 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.526 0.144 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.240 -1.547 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.514 -0.082 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.923 -0.372 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.969 -1.374 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.652 -0.197 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.051 0.216 10.769 1.00 0.00 H new ATOM 950 N SER A 62 -6.131 4.484 10.043 1.00 0.00 N ATOM 951 CA SER A 62 -5.866 5.931 9.885 1.00 0.00 C ATOM 952 C SER A 62 -5.173 6.159 8.540 1.00 0.00 C ATOM 953 O SER A 62 -4.433 5.317 8.074 1.00 0.00 O ATOM 954 CB SER A 62 -4.958 6.403 11.019 1.00 0.00 C ATOM 955 OG SER A 62 -3.874 5.495 11.160 1.00 0.00 O ATOM 0 H SER A 62 -5.386 3.952 10.494 1.00 0.00 H new ATOM 0 HA SER A 62 -6.801 6.491 9.917 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.584 7.405 10.808 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.521 6.463 11.950 1.00 0.00 H new ATOM 0 HG SER A 62 -3.288 5.795 11.886 1.00 0.00 H new ATOM 961 N PRO A 63 -5.403 7.282 7.917 1.00 0.00 N ATOM 962 CA PRO A 63 -4.785 7.601 6.601 1.00 0.00 C ATOM 963 C PRO A 63 -3.255 7.554 6.663 1.00 0.00 C ATOM 964 O PRO A 63 -2.585 7.432 5.657 1.00 0.00 O ATOM 965 CB PRO A 63 -5.268 9.022 6.285 1.00 0.00 C ATOM 966 CG PRO A 63 -5.808 9.567 7.566 1.00 0.00 C ATOM 967 CD PRO A 63 -6.262 8.373 8.394 1.00 0.00 C ATOM 0 HA PRO A 63 -5.070 6.877 5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.450 9.639 5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.036 9.010 5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.045 10.137 8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.640 10.246 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.130 8.551 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.318 8.152 8.235 1.00 0.00 H new ATOM 975 N GLU A 64 -2.700 7.651 7.843 1.00 0.00 N ATOM 976 CA GLU A 64 -1.222 7.614 7.983 1.00 0.00 C ATOM 977 C GLU A 64 -0.718 6.226 7.613 1.00 0.00 C ATOM 978 O GLU A 64 0.376 6.064 7.115 1.00 0.00 O ATOM 979 CB GLU A 64 -0.846 7.927 9.427 1.00 0.00 C ATOM 980 CG GLU A 64 -1.314 9.333 9.784 1.00 0.00 C ATOM 981 CD GLU A 64 -0.857 9.682 11.201 1.00 0.00 C ATOM 982 OE1 GLU A 64 -0.368 8.794 11.880 1.00 0.00 O ATOM 983 OE2 GLU A 64 -1.002 10.831 11.583 1.00 0.00 O ATOM 0 H GLU A 64 -3.214 7.755 8.718 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.769 8.353 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.303 7.200 10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.233 7.848 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.909 10.053 9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.400 9.394 9.716 1.00 0.00 H new ATOM 990 N HIS A 65 -1.508 5.221 7.847 1.00 0.00 N ATOM 991 CA HIS A 65 -1.068 3.848 7.502 1.00 0.00 C ATOM 992 C HIS A 65 -0.950 3.736 5.988 1.00 0.00 C ATOM 993 O HIS A 65 -0.296 2.858 5.463 1.00 0.00 O ATOM 994 CB HIS A 65 -2.097 2.837 7.999 1.00 0.00 C ATOM 995 CG HIS A 65 -1.992 1.581 7.182 1.00 0.00 C ATOM 996 ND1 HIS A 65 -3.094 1.012 6.557 1.00 0.00 N ATOM 997 CD2 HIS A 65 -0.923 0.782 6.862 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.666 -0.081 5.898 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.353 -0.263 6.052 1.00 0.00 N ATOM 0 H HIS A 65 -2.437 5.291 8.261 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.106 3.643 7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.926 2.615 9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.101 3.254 7.920 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.053 1.359 6.591 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.094 0.940 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.305 -0.729 5.317 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.589 4.624 5.286 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.534 4.587 3.806 1.00 0.00 C ATOM 1010 C PHE A 66 -0.487 5.589 3.325 1.00 0.00 C ATOM 1011 O PHE A 66 -0.414 5.927 2.160 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.906 4.959 3.241 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.982 4.130 3.906 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.320 4.357 5.248 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.648 3.140 3.178 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.322 3.594 5.856 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.652 2.379 3.787 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.987 2.609 5.127 1.00 0.00 C ATOM 0 H PHE A 66 -2.151 5.379 5.679 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.265 3.587 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.100 6.019 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.922 4.794 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.806 5.121 5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.388 2.962 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.581 3.768 6.890 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.168 1.615 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.762 2.022 5.597 1.00 0.00 H new ATOM 1028 N ARG A 67 0.320 6.064 4.226 1.00 0.00 N ATOM 1029 CA ARG A 67 1.372 7.049 3.864 1.00 0.00 C ATOM 1030 C ARG A 67 2.169 6.550 2.656 1.00 0.00 C ATOM 1031 O ARG A 67 2.601 7.326 1.827 1.00 0.00 O ATOM 1032 CB ARG A 67 2.304 7.208 5.063 1.00 0.00 C ATOM 1033 CG ARG A 67 3.032 5.883 5.309 1.00 0.00 C ATOM 1034 CD ARG A 67 3.194 5.627 6.811 1.00 0.00 C ATOM 1035 NE ARG A 67 4.495 4.945 7.059 1.00 0.00 N ATOM 1036 CZ ARG A 67 5.079 5.056 8.221 1.00 0.00 C ATOM 1037 NH1 ARG A 67 4.518 5.755 9.170 1.00 0.00 N ATOM 1038 NH2 ARG A 67 6.223 4.467 8.436 1.00 0.00 N ATOM 0 H ARG A 67 0.295 5.808 5.213 1.00 0.00 H new ATOM 0 HA ARG A 67 0.915 8.004 3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.025 8.004 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.734 7.494 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.474 5.065 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.011 5.906 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.155 6.569 7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.372 5.011 7.177 1.00 0.00 H new ATOM 0 HE ARG A 67 4.929 4.391 6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.623 6.215 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.975 5.841 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.662 3.919 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.679 4.554 9.344 1.00 0.00 H new ATOM 1052 N SER A 68 2.375 5.265 2.549 1.00 0.00 N ATOM 1053 CA SER A 68 3.153 4.739 1.395 1.00 0.00 C ATOM 1054 C SER A 68 2.732 3.304 1.091 1.00 0.00 C ATOM 1055 O SER A 68 2.270 2.581 1.950 1.00 0.00 O ATOM 1056 CB SER A 68 4.646 4.758 1.729 1.00 0.00 C ATOM 1057 OG SER A 68 5.392 4.420 0.568 1.00 0.00 O ATOM 0 H SER A 68 2.040 4.562 3.207 1.00 0.00 H new ATOM 0 HA SER A 68 2.959 5.367 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.937 5.745 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.860 4.051 2.531 1.00 0.00 H new ATOM 0 HG SER A 68 6.315 4.733 0.670 1.00 0.00 H new ATOM 1063 N ILE A 69 2.915 2.883 -0.127 1.00 0.00 N ATOM 1064 CA ILE A 69 2.559 1.498 -0.506 1.00 0.00 C ATOM 1065 C ILE A 69 3.333 0.544 0.400 1.00 0.00 C ATOM 1066 O ILE A 69 2.866 -0.521 0.754 1.00 0.00 O ATOM 1067 CB ILE A 69 2.969 1.269 -1.957 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.395 2.392 -2.822 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.419 -0.069 -2.435 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.507 3.379 -3.180 1.00 0.00 C ATOM 0 H ILE A 69 3.301 3.450 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 69 1.488 1.328 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 69 4.056 1.262 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.956 1.978 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.596 2.906 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.712 -0.233 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.820 -0.870 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.331 -0.062 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.098 4.180 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.926 3.802 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.290 2.860 -3.732 1.00 0.00 H new ATOM 1082 N ARG A 70 4.525 0.927 0.765 1.00 0.00 N ATOM 1083 CA ARG A 70 5.364 0.063 1.639 1.00 0.00 C ATOM 1084 C ARG A 70 4.610 -0.240 2.936 1.00 0.00 C ATOM 1085 O ARG A 70 4.564 -1.366 3.394 1.00 0.00 O ATOM 1086 CB ARG A 70 6.641 0.831 1.987 1.00 0.00 C ATOM 1087 CG ARG A 70 7.359 1.261 0.707 1.00 0.00 C ATOM 1088 CD ARG A 70 8.263 2.457 1.015 1.00 0.00 C ATOM 1089 NE ARG A 70 9.348 2.037 1.946 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.181 2.922 2.419 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.065 4.176 2.075 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.129 2.554 3.236 1.00 0.00 N ATOM 0 H ARG A 70 4.957 1.810 0.492 1.00 0.00 H new ATOM 0 HA ARG A 70 5.598 -0.869 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.396 1.707 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.299 0.205 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.951 0.435 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.632 1.527 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.693 2.848 0.093 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.679 3.262 1.461 1.00 0.00 H new ATOM 0 HE ARG A 70 9.439 1.057 2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.323 4.463 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.716 4.869 2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.219 1.574 3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.781 3.246 3.606 1.00 0.00 H new ATOM 1106 N SER A 71 4.019 0.757 3.531 1.00 0.00 N ATOM 1107 CA SER A 71 3.268 0.535 4.798 1.00 0.00 C ATOM 1108 C SER A 71 2.050 -0.352 4.532 1.00 0.00 C ATOM 1109 O SER A 71 1.727 -1.230 5.306 1.00 0.00 O ATOM 1110 CB SER A 71 2.805 1.880 5.358 1.00 0.00 C ATOM 1111 OG SER A 71 2.230 1.681 6.643 1.00 0.00 O ATOM 0 H SER A 71 4.023 1.720 3.194 1.00 0.00 H new ATOM 0 HA SER A 71 3.920 0.043 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.648 2.568 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.076 2.335 4.687 1.00 0.00 H new ATOM 0 HG SER A 71 1.933 2.542 7.005 1.00 0.00 H new ATOM 1117 N ILE A 72 1.365 -0.121 3.446 1.00 0.00 N ATOM 1118 CA ILE A 72 0.167 -0.936 3.130 1.00 0.00 C ATOM 1119 C ILE A 72 0.561 -2.404 2.966 1.00 0.00 C ATOM 1120 O ILE A 72 -0.088 -3.293 3.481 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.451 -0.421 1.833 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.811 1.058 1.997 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.709 -1.220 1.521 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.367 1.596 0.678 1.00 0.00 C ATOM 0 H ILE A 72 1.588 0.602 2.762 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.555 -0.856 3.943 1.00 0.00 H new ATOM 0 HB ILE A 72 0.262 -0.534 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.548 1.178 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.070 1.627 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.152 -0.854 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.452 -2.273 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.424 -1.105 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.624 2.649 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.615 1.490 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.259 1.033 0.403 1.00 0.00 H new ATOM 1136 N ASP A 73 1.619 -2.668 2.250 1.00 0.00 N ATOM 1137 CA ASP A 73 2.047 -4.081 2.054 1.00 0.00 C ATOM 1138 C ASP A 73 2.353 -4.715 3.408 1.00 0.00 C ATOM 1139 O ASP A 73 2.023 -5.857 3.660 1.00 0.00 O ATOM 1140 CB ASP A 73 3.306 -4.115 1.189 1.00 0.00 C ATOM 1141 CG ASP A 73 3.527 -5.535 0.667 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.671 -6.373 0.903 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.550 -5.763 0.042 1.00 0.00 O ATOM 0 H ASP A 73 2.204 -1.968 1.793 1.00 0.00 H new ATOM 0 HA ASP A 73 1.247 -4.635 1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.206 -3.421 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.169 -3.792 1.771 1.00 0.00 H new ATOM 1148 N ALA A 74 2.988 -3.986 4.283 1.00 0.00 N ATOM 1149 CA ALA A 74 3.320 -4.549 5.618 1.00 0.00 C ATOM 1150 C ALA A 74 2.033 -4.804 6.401 1.00 0.00 C ATOM 1151 O ALA A 74 1.850 -5.850 6.992 1.00 0.00 O ATOM 1152 CB ALA A 74 4.198 -3.553 6.374 1.00 0.00 C ATOM 0 H ALA A 74 3.291 -3.024 4.130 1.00 0.00 H new ATOM 0 HA ALA A 74 3.855 -5.491 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.446 -3.958 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.115 -3.376 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.660 -2.613 6.496 1.00 0.00 H new ATOM 1158 N PHE A 75 1.136 -3.860 6.405 1.00 0.00 N ATOM 1159 CA PHE A 75 -0.142 -4.053 7.143 1.00 0.00 C ATOM 1160 C PHE A 75 -0.912 -5.216 6.516 1.00 0.00 C ATOM 1161 O PHE A 75 -1.443 -6.067 7.201 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.977 -2.777 7.060 1.00 0.00 C ATOM 1163 CG PHE A 75 -2.195 -2.912 7.943 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -2.107 -2.607 9.307 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.411 -3.342 7.398 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -3.236 -2.733 10.125 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.540 -3.467 8.217 1.00 0.00 C ATOM 1168 CZ PHE A 75 -4.453 -3.162 9.581 1.00 0.00 C ATOM 0 H PHE A 75 1.232 -2.963 5.929 1.00 0.00 H new ATOM 0 HA PHE A 75 0.067 -4.276 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.381 -1.919 7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.281 -2.595 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.169 -2.275 9.727 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.478 -3.577 6.346 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.168 -2.499 11.177 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.478 -3.799 7.797 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.324 -3.258 10.213 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.967 -5.260 5.212 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.688 -6.362 4.526 1.00 0.00 C ATOM 1180 C VAL A 76 -1.015 -7.693 4.858 1.00 0.00 C ATOM 1181 O VAL A 76 -1.665 -8.663 5.196 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.618 -6.116 3.020 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.120 -7.346 2.275 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.491 -4.912 2.663 1.00 0.00 C ATOM 0 H VAL A 76 -0.539 -4.573 4.591 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.727 -6.396 4.854 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.585 -5.918 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.069 -7.167 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.499 -8.205 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.152 -7.548 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.443 -4.734 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.523 -5.112 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.130 -4.031 3.193 1.00 0.00 H new ATOM 1194 N VAL A 77 0.285 -7.747 4.769 1.00 0.00 N ATOM 1195 CA VAL A 77 1.004 -9.006 5.081 1.00 0.00 C ATOM 1196 C VAL A 77 0.901 -9.292 6.581 1.00 0.00 C ATOM 1197 O VAL A 77 0.689 -10.412 6.998 1.00 0.00 O ATOM 1198 CB VAL A 77 2.469 -8.848 4.680 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.258 -10.063 5.146 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.569 -8.729 3.157 1.00 0.00 C ATOM 0 H VAL A 77 0.880 -6.967 4.492 1.00 0.00 H new ATOM 0 HA VAL A 77 0.562 -9.837 4.531 1.00 0.00 H new ATOM 0 HB VAL A 77 2.878 -7.950 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.304 -9.950 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.186 -10.150 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.850 -10.961 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.614 -8.616 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.160 -9.627 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.004 -7.859 2.822 1.00 0.00 H new ATOM 1210 N GLY A 78 1.044 -8.280 7.393 1.00 0.00 N ATOM 1211 CA GLY A 78 0.955 -8.476 8.869 1.00 0.00 C ATOM 1212 C GLY A 78 -0.405 -9.074 9.231 1.00 0.00 C ATOM 1213 O GLY A 78 -0.570 -9.686 10.268 1.00 0.00 O ATOM 0 H GLY A 78 1.220 -7.320 7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.754 -9.136 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.091 -7.523 9.381 1.00 0.00 H new ATOM 1217 N ALA A 79 -1.385 -8.886 8.393 1.00 0.00 N ATOM 1218 CA ALA A 79 -2.740 -9.425 8.693 1.00 0.00 C ATOM 1219 C ALA A 79 -2.730 -10.957 8.666 1.00 0.00 C ATOM 1220 O ALA A 79 -3.463 -11.594 9.397 1.00 0.00 O ATOM 1221 CB ALA A 79 -3.732 -8.907 7.650 1.00 0.00 C ATOM 0 H ALA A 79 -1.306 -8.381 7.511 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.036 -9.094 9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.726 -9.300 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.757 -7.818 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.421 -9.234 6.658 1.00 0.00 H new ATOM 1227 N THR A 80 -1.925 -11.554 7.825 1.00 0.00 N ATOM 1228 CA THR A 80 -1.898 -13.048 7.754 1.00 0.00 C ATOM 1229 C THR A 80 -0.494 -13.580 8.048 1.00 0.00 C ATOM 1230 O THR A 80 -0.337 -14.644 8.614 1.00 0.00 O ATOM 1231 CB THR A 80 -2.325 -13.490 6.353 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.294 -13.180 5.426 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.610 -12.760 5.955 1.00 0.00 C ATOM 0 H THR A 80 -1.288 -11.076 7.187 1.00 0.00 H new ATOM 0 HA THR A 80 -2.584 -13.448 8.501 1.00 0.00 H new ATOM 0 HB THR A 80 -2.505 -14.565 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.565 -13.464 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.913 -13.076 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.400 -12.999 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.433 -11.684 5.957 1.00 0.00 H new ATOM 1241 N THR A 81 0.523 -12.864 7.661 1.00 0.00 N ATOM 1242 CA THR A 81 1.910 -13.346 7.912 1.00 0.00 C ATOM 1243 C THR A 81 2.755 -12.210 8.500 1.00 0.00 C ATOM 1244 O THR A 81 2.497 -11.053 8.248 1.00 0.00 O ATOM 1245 CB THR A 81 2.520 -13.804 6.589 1.00 0.00 C ATOM 1246 OG1 THR A 81 1.752 -13.285 5.512 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.524 -15.331 6.526 1.00 0.00 C ATOM 0 H THR A 81 0.455 -11.966 7.182 1.00 0.00 H new ATOM 0 HA THR A 81 1.889 -14.176 8.619 1.00 0.00 H new ATOM 0 HB THR A 81 3.544 -13.439 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.142 -13.576 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.960 -15.655 5.581 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.114 -15.728 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.501 -15.701 6.600 1.00 0.00 H new