USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 417 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 12 CYS SG : rot 50:sc= -8.97! USER MOD Set 1.2: A 16 GLN : amide:sc= -14.8! C(o=-24!,f=-24!) USER MOD Single : A 2 GLN : amide:sc= -0.284 K(o=-0.28,f=-2.5!) USER MOD Single : A 6 ASN : amide:sc= -0.105 K(o=-0.11,f=-0.95) USER MOD Single : A 8 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.015) USER MOD Single : A 10 MET CE :methyl 154:sc= -3.51! (180deg=-4.55!) USER MOD Single : A 11 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.5!) USER MOD Single : A 17 THR OG1 : rot 135:sc= 1.68 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -10.4! C(o=-10!,f=-5.6!) USER MOD Single : A 37 ASN : amide:sc= -2.04! K(o=-2!,f=-0.0078) USER MOD Single : A 38 GLN : amide:sc= -2.19! K(o=-2.2!,f=-1.6) USER MOD Single : A 39 GLN : amide:sc= -2.33 K(o=-2.3,f=-7.4!) USER MOD Single : A 45 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -6.96! C(o=-7!,f=-5.2!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -7.75! C(o=-7.8!,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 11.705 4.137 1.305 1.00 0.00 N ATOM 21 CA GLN A 2 10.713 5.051 1.915 1.00 0.00 C ATOM 22 C GLN A 2 9.477 5.136 1.060 1.00 0.00 C ATOM 23 O GLN A 2 9.478 4.794 -0.107 1.00 0.00 O ATOM 24 CB GLN A 2 11.417 6.386 1.981 1.00 0.00 C ATOM 25 CG GLN A 2 10.465 7.480 2.459 1.00 0.00 C ATOM 26 CD GLN A 2 10.838 8.800 1.781 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.372 8.804 0.688 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.581 9.930 2.381 1.00 0.00 N ATOM 0 HA GLN A 2 10.383 4.712 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.270 6.319 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.809 6.644 0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.435 7.213 2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.525 7.584 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.133 9.931 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.828 10.813 1.933 1.00 0.00 H new ATOM 37 N ILE A 3 8.399 5.521 1.658 1.00 0.00 N ATOM 38 CA ILE A 3 7.144 5.554 0.921 1.00 0.00 C ATOM 39 C ILE A 3 6.245 6.673 1.390 1.00 0.00 C ATOM 40 O ILE A 3 6.504 7.352 2.364 1.00 0.00 O ATOM 41 CB ILE A 3 6.491 4.218 1.272 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.653 4.368 2.560 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.579 3.167 1.474 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.696 3.092 3.412 1.00 0.00 C ATOM 0 H ILE A 3 8.343 5.815 2.633 1.00 0.00 H new ATOM 0 HA ILE A 3 7.308 5.713 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 3 5.833 3.907 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.028 5.209 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.620 4.597 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.119 2.211 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.158 3.062 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.238 3.477 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.095 3.234 4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.297 2.257 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.727 2.878 3.695 1.00 0.00 H new ATOM 56 N LEU A 4 5.137 6.784 0.751 1.00 0.00 N ATOM 57 CA LEU A 4 4.132 7.757 1.192 1.00 0.00 C ATOM 58 C LEU A 4 2.835 6.992 1.403 1.00 0.00 C ATOM 59 O LEU A 4 2.195 6.586 0.462 1.00 0.00 O ATOM 60 CB LEU A 4 3.972 8.757 0.053 1.00 0.00 C ATOM 61 CG LEU A 4 2.943 9.805 0.475 1.00 0.00 C ATOM 62 CD1 LEU A 4 1.552 9.192 0.370 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.214 10.226 1.919 1.00 0.00 C ATOM 0 H LEU A 4 4.880 6.235 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 4 4.408 8.273 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.927 9.232 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.646 8.249 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 4 3.010 10.680 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.806 9.929 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.367 8.884 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.487 8.324 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.482 10.974 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.138 9.357 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.216 10.648 1.993 1.00 0.00 H new ATOM 75 N PHE A 5 2.436 6.794 2.622 1.00 0.00 N ATOM 76 CA PHE A 5 1.174 6.051 2.863 1.00 0.00 C ATOM 77 C PHE A 5 0.091 7.034 3.295 1.00 0.00 C ATOM 78 O PHE A 5 0.087 7.524 4.406 1.00 0.00 O ATOM 79 CB PHE A 5 1.505 5.057 3.981 1.00 0.00 C ATOM 80 CG PHE A 5 0.338 4.122 4.208 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.223 2.946 3.453 1.00 0.00 C ATOM 82 CD2 PHE A 5 -0.626 4.425 5.179 1.00 0.00 C ATOM 83 CE1 PHE A 5 -0.850 2.075 3.671 1.00 0.00 C ATOM 84 CE2 PHE A 5 -1.699 3.551 5.397 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.812 2.379 4.641 1.00 0.00 C ATOM 0 H PHE A 5 2.925 7.112 3.459 1.00 0.00 H new ATOM 0 HA PHE A 5 0.803 5.534 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.394 4.484 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.734 5.595 4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.964 2.712 2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.542 5.332 5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.936 1.168 3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.439 3.782 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.642 1.708 4.806 1.00 0.00 H new ATOM 95 N ASN A 6 -0.811 7.347 2.416 1.00 0.00 N ATOM 96 CA ASN A 6 -1.872 8.324 2.763 1.00 0.00 C ATOM 97 C ASN A 6 -1.222 9.648 3.105 1.00 0.00 C ATOM 98 O ASN A 6 -1.426 10.223 4.155 1.00 0.00 O ATOM 99 CB ASN A 6 -2.614 7.733 3.962 1.00 0.00 C ATOM 100 CG ASN A 6 -4.005 8.362 4.077 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.251 9.427 3.548 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.933 7.739 4.754 1.00 0.00 N ATOM 0 H ASN A 6 -0.860 6.968 1.470 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.568 8.504 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.702 6.652 3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.048 7.913 4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.864 8.147 4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.726 6.844 5.198 1.00 0.00 H new ATOM 109 N ASP A 7 -0.444 10.118 2.193 1.00 0.00 N ATOM 110 CA ASP A 7 0.263 11.405 2.377 1.00 0.00 C ATOM 111 C ASP A 7 1.129 11.332 3.633 1.00 0.00 C ATOM 112 O ASP A 7 1.514 12.334 4.202 1.00 0.00 O ATOM 113 CB ASP A 7 -0.812 12.477 2.497 1.00 0.00 C ATOM 114 CG ASP A 7 -2.088 12.040 1.766 1.00 0.00 C ATOM 115 OD1 ASP A 7 -2.109 12.121 0.546 1.00 0.00 O ATOM 116 OD2 ASP A 7 -3.017 11.620 2.438 1.00 0.00 O ATOM 0 H ASP A 7 -0.260 9.656 1.303 1.00 0.00 H new ATOM 0 HA ASP A 7 0.926 11.634 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.033 12.663 3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.448 13.415 2.077 1.00 0.00 H new ATOM 121 N GLN A 8 1.462 10.143 4.050 1.00 0.00 N ATOM 122 CA GLN A 8 2.337 9.996 5.249 1.00 0.00 C ATOM 123 C GLN A 8 3.643 9.328 4.832 1.00 0.00 C ATOM 124 O GLN A 8 3.663 8.209 4.377 1.00 0.00 O ATOM 125 CB GLN A 8 1.547 9.108 6.198 1.00 0.00 C ATOM 126 CG GLN A 8 0.136 9.677 6.332 1.00 0.00 C ATOM 127 CD GLN A 8 -0.091 10.204 7.749 1.00 0.00 C ATOM 128 OE1 GLN A 8 -0.519 11.327 7.928 1.00 0.00 O ATOM 129 NE2 GLN A 8 0.176 9.440 8.771 1.00 0.00 N ATOM 0 H GLN A 8 1.168 9.268 3.615 1.00 0.00 H new ATOM 0 HA GLN A 8 2.594 10.947 5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.509 8.087 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.033 9.068 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.009 10.481 5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.598 8.905 6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.535 8.497 8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.026 9.785 9.719 1.00 0.00 H new ATOM 138 N ALA A 9 4.732 10.012 4.965 1.00 0.00 N ATOM 139 CA ALA A 9 6.031 9.417 4.541 1.00 0.00 C ATOM 140 C ALA A 9 6.449 8.272 5.462 1.00 0.00 C ATOM 141 O ALA A 9 6.140 8.249 6.637 1.00 0.00 O ATOM 142 CB ALA A 9 7.034 10.560 4.596 1.00 0.00 C ATOM 0 H ALA A 9 4.787 10.956 5.347 1.00 0.00 H new ATOM 0 HA ALA A 9 5.965 8.984 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.017 10.196 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.718 11.354 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.086 10.950 5.613 1.00 0.00 H new ATOM 148 N MET A 10 7.125 7.306 4.908 1.00 0.00 N ATOM 149 CA MET A 10 7.552 6.115 5.710 1.00 0.00 C ATOM 150 C MET A 10 8.897 5.562 5.258 1.00 0.00 C ATOM 151 O MET A 10 9.448 5.952 4.249 1.00 0.00 O ATOM 152 CB MET A 10 6.544 5.048 5.334 1.00 0.00 C ATOM 153 CG MET A 10 6.239 4.128 6.506 1.00 0.00 C ATOM 154 SD MET A 10 4.927 4.848 7.525 1.00 0.00 S ATOM 155 CE MET A 10 3.540 4.425 6.442 1.00 0.00 C ATOM 0 H MET A 10 7.404 7.286 3.927 1.00 0.00 H new ATOM 0 HA MET A 10 7.618 6.381 6.765 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.623 5.521 4.993 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.929 4.461 4.500 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.932 3.148 6.141 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.137 3.978 7.106 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.628 4.345 7.033 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.417 5.203 5.688 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.739 3.472 5.951 1.00 0.00 H new ATOM 165 N GLN A 11 9.352 4.557 5.955 1.00 0.00 N ATOM 166 CA GLN A 11 10.578 3.837 5.543 1.00 0.00 C ATOM 167 C GLN A 11 10.364 2.378 5.885 1.00 0.00 C ATOM 168 O GLN A 11 10.124 2.010 7.016 1.00 0.00 O ATOM 169 CB GLN A 11 11.779 4.353 6.313 1.00 0.00 C ATOM 170 CG GLN A 11 11.548 5.771 6.828 1.00 0.00 C ATOM 171 CD GLN A 11 11.091 5.717 8.287 1.00 0.00 C ATOM 172 OE1 GLN A 11 11.421 4.793 9.005 1.00 0.00 O ATOM 173 NE2 GLN A 11 10.343 6.675 8.761 1.00 0.00 N ATOM 0 H GLN A 11 8.915 4.203 6.806 1.00 0.00 H new ATOM 0 HA GLN A 11 10.765 3.981 4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.986 3.689 7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.659 4.338 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.466 6.353 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.796 6.272 6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.066 7.451 8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.036 6.648 9.733 1.00 0.00 H new ATOM 182 N CYS A 12 10.414 1.563 4.903 1.00 0.00 N ATOM 183 CA CYS A 12 10.177 0.108 5.120 1.00 0.00 C ATOM 184 C CYS A 12 10.990 -0.745 4.153 1.00 0.00 C ATOM 185 O CYS A 12 12.003 -0.334 3.630 1.00 0.00 O ATOM 186 CB CYS A 12 8.680 -0.064 4.881 1.00 0.00 C ATOM 187 SG CYS A 12 8.260 0.532 3.224 1.00 0.00 S ATOM 0 H CYS A 12 10.611 1.829 3.938 1.00 0.00 H new ATOM 0 HA CYS A 12 10.484 -0.215 6.115 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.403 -1.113 4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.115 0.489 5.632 1.00 0.00 H new ATOM 0 HG CYS A 12 9.070 0.004 2.355 1.00 0.00 H new ATOM 193 N ALA A 13 10.570 -1.955 3.959 1.00 0.00 N ATOM 194 CA ALA A 13 11.310 -2.881 3.071 1.00 0.00 C ATOM 195 C ALA A 13 11.098 -2.570 1.588 1.00 0.00 C ATOM 196 O ALA A 13 10.050 -2.830 1.034 1.00 0.00 O ATOM 197 CB ALA A 13 10.728 -4.255 3.390 1.00 0.00 C ATOM 0 H ALA A 13 9.731 -2.349 4.385 1.00 0.00 H new ATOM 0 HA ALA A 13 12.384 -2.805 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.219 -5.010 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.890 -4.483 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.659 -4.255 3.179 1.00 0.00 H new ATOM 203 N ALA A 14 12.093 -2.051 0.927 1.00 0.00 N ATOM 204 CA ALA A 14 11.940 -1.786 -0.532 1.00 0.00 C ATOM 205 C ALA A 14 11.868 -3.119 -1.274 1.00 0.00 C ATOM 206 O ALA A 14 12.481 -4.092 -0.882 1.00 0.00 O ATOM 207 CB ALA A 14 13.195 -1.031 -0.956 1.00 0.00 C ATOM 0 H ALA A 14 12.997 -1.800 1.327 1.00 0.00 H new ATOM 0 HA ALA A 14 11.038 -1.216 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.142 -0.807 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.268 -0.101 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.073 -1.645 -0.758 1.00 0.00 H new ATOM 213 N GLY A 15 11.127 -3.175 -2.337 1.00 0.00 N ATOM 214 CA GLY A 15 11.013 -4.441 -3.100 1.00 0.00 C ATOM 215 C GLY A 15 9.955 -5.328 -2.449 1.00 0.00 C ATOM 216 O GLY A 15 9.675 -6.418 -2.906 1.00 0.00 O ATOM 0 H GLY A 15 10.591 -2.393 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.742 -4.232 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.974 -4.955 -3.119 1.00 0.00 H new ATOM 220 N GLN A 16 9.359 -4.858 -1.387 1.00 0.00 N ATOM 221 CA GLN A 16 8.306 -5.648 -0.696 1.00 0.00 C ATOM 222 C GLN A 16 6.936 -5.247 -1.265 1.00 0.00 C ATOM 223 O GLN A 16 6.663 -4.077 -1.435 1.00 0.00 O ATOM 224 CB GLN A 16 8.454 -5.239 0.779 1.00 0.00 C ATOM 225 CG GLN A 16 7.348 -4.255 1.185 1.00 0.00 C ATOM 226 CD GLN A 16 7.680 -3.627 2.531 1.00 0.00 C ATOM 227 OE1 GLN A 16 7.524 -4.247 3.562 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.136 -2.408 2.561 1.00 0.00 N ATOM 0 H GLN A 16 9.560 -3.951 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 16 8.395 -6.727 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.410 -6.125 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.430 -4.782 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.245 -3.478 0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.391 -4.774 1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.266 -1.890 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.364 -1.970 3.454 1.00 0.00 H new ATOM 237 N THR A 17 6.071 -6.167 -1.584 1.00 0.00 N ATOM 238 CA THR A 17 4.769 -5.727 -2.144 1.00 0.00 C ATOM 239 C THR A 17 4.017 -4.865 -1.151 1.00 0.00 C ATOM 240 O THR A 17 4.535 -4.413 -0.154 1.00 0.00 O ATOM 241 CB THR A 17 3.890 -6.949 -2.367 1.00 0.00 C ATOM 242 OG1 THR A 17 3.240 -7.284 -1.141 1.00 0.00 O ATOM 243 CG2 THR A 17 4.696 -8.147 -2.840 1.00 0.00 C ATOM 0 H THR A 17 6.203 -7.174 -1.485 1.00 0.00 H new ATOM 0 HA THR A 17 4.973 -5.177 -3.063 1.00 0.00 H new ATOM 0 HB THR A 17 3.162 -6.704 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.294 -7.473 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.031 -8.998 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.189 -7.905 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.447 -8.399 -2.091 1.00 0.00 H new ATOM 251 N VAL A 18 2.760 -4.713 -1.434 1.00 0.00 N ATOM 252 CA VAL A 18 1.824 -3.959 -0.565 1.00 0.00 C ATOM 253 C VAL A 18 1.447 -4.833 0.590 1.00 0.00 C ATOM 254 O VAL A 18 1.664 -4.516 1.735 1.00 0.00 O ATOM 255 CB VAL A 18 0.623 -3.823 -1.432 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.459 -3.056 -0.705 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.030 -3.146 -2.723 1.00 0.00 C ATOM 0 H VAL A 18 2.324 -5.099 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 18 2.227 -3.018 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 18 0.213 -4.804 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.334 -2.962 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.734 -3.589 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.090 -2.063 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.158 -3.040 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.441 -2.161 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.784 -3.749 -3.228 1.00 0.00 H new ATOM 267 N HIS A 19 0.940 -5.999 0.276 1.00 0.00 N ATOM 268 CA HIS A 19 0.618 -6.953 1.343 1.00 0.00 C ATOM 269 C HIS A 19 1.863 -7.023 2.194 1.00 0.00 C ATOM 270 O HIS A 19 1.829 -7.237 3.389 1.00 0.00 O ATOM 271 CB HIS A 19 0.397 -8.273 0.612 1.00 0.00 C ATOM 272 CG HIS A 19 -0.123 -9.298 1.580 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.475 -9.572 1.716 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.517 -10.117 2.478 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.604 -10.518 2.663 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.419 -10.887 3.160 1.00 0.00 N ATOM 0 H HIS A 19 0.741 -6.317 -0.673 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.245 -6.702 1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.312 -8.135 -0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.331 -8.617 0.168 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.585 -10.157 2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.550 -10.930 2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.240 -11.583 3.884 1.00 0.00 H new ATOM 284 N GLU A 20 2.970 -6.766 1.553 1.00 0.00 N ATOM 285 CA GLU A 20 4.257 -6.746 2.293 1.00 0.00 C ATOM 286 C GLU A 20 4.455 -5.353 2.888 1.00 0.00 C ATOM 287 O GLU A 20 4.946 -5.200 3.988 1.00 0.00 O ATOM 288 CB GLU A 20 5.327 -7.080 1.255 1.00 0.00 C ATOM 289 CG GLU A 20 5.172 -8.543 0.828 1.00 0.00 C ATOM 290 CD GLU A 20 5.750 -9.456 1.908 1.00 0.00 C ATOM 291 OE1 GLU A 20 5.238 -9.429 3.014 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.689 -10.172 1.608 1.00 0.00 O ATOM 0 H GLU A 20 3.036 -6.570 0.554 1.00 0.00 H new ATOM 0 HA GLU A 20 4.296 -7.457 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.230 -6.424 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.320 -6.913 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.119 -8.776 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.685 -8.712 -0.119 1.00 0.00 H new ATOM 299 N LEU A 21 4.050 -4.335 2.173 1.00 0.00 N ATOM 300 CA LEU A 21 4.189 -2.950 2.703 1.00 0.00 C ATOM 301 C LEU A 21 3.226 -2.780 3.879 1.00 0.00 C ATOM 302 O LEU A 21 3.627 -2.528 4.994 1.00 0.00 O ATOM 303 CB LEU A 21 3.786 -2.059 1.519 1.00 0.00 C ATOM 304 CG LEU A 21 4.363 -0.644 1.657 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.586 0.135 2.710 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.834 -0.713 2.065 1.00 0.00 C ATOM 0 H LEU A 21 3.630 -4.405 1.246 1.00 0.00 H new ATOM 0 HA LEU A 21 5.188 -2.708 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.137 -2.507 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.699 -2.005 1.456 1.00 0.00 H new ATOM 0 HG LEU A 21 4.278 -0.139 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.002 1.138 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.539 0.202 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.660 -0.377 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.233 0.297 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.923 -1.230 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.397 -1.256 1.306 1.00 0.00 H new ATOM 318 N LEU A 22 1.958 -2.956 3.635 1.00 0.00 N ATOM 319 CA LEU A 22 0.950 -2.837 4.726 1.00 0.00 C ATOM 320 C LEU A 22 1.372 -3.675 5.921 1.00 0.00 C ATOM 321 O LEU A 22 1.490 -3.201 7.034 1.00 0.00 O ATOM 322 CB LEU A 22 -0.313 -3.448 4.126 1.00 0.00 C ATOM 323 CG LEU A 22 -0.997 -2.435 3.226 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.115 -3.127 2.442 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.587 -1.339 4.100 1.00 0.00 C ATOM 0 H LEU A 22 1.573 -3.179 2.717 1.00 0.00 H new ATOM 0 HA LEU A 22 0.824 -1.808 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.060 -4.342 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.991 -3.758 4.921 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.281 -2.008 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.608 -2.402 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.692 -3.927 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.842 -3.546 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.084 -0.600 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.310 -1.774 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.790 -0.857 4.666 1.00 0.00 H new ATOM 337 N GLU A 23 1.587 -4.928 5.679 1.00 0.00 N ATOM 338 CA GLU A 23 1.999 -5.850 6.772 1.00 0.00 C ATOM 339 C GLU A 23 3.286 -5.352 7.425 1.00 0.00 C ATOM 340 O GLU A 23 3.436 -5.393 8.631 1.00 0.00 O ATOM 341 CB GLU A 23 2.231 -7.175 6.062 1.00 0.00 C ATOM 342 CG GLU A 23 2.382 -8.303 7.083 1.00 0.00 C ATOM 343 CD GLU A 23 3.836 -8.383 7.546 1.00 0.00 C ATOM 344 OE1 GLU A 23 4.683 -7.839 6.863 1.00 0.00 O ATOM 345 OE2 GLU A 23 4.077 -8.985 8.578 1.00 0.00 O ATOM 0 H GLU A 23 1.495 -5.363 4.761 1.00 0.00 H new ATOM 0 HA GLU A 23 1.259 -5.927 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.397 -7.389 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.126 -7.112 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.727 -8.125 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.078 -9.251 6.640 1.00 0.00 H new ATOM 352 N GLN A 24 4.212 -4.862 6.643 1.00 0.00 N ATOM 353 CA GLN A 24 5.477 -4.345 7.236 1.00 0.00 C ATOM 354 C GLN A 24 5.150 -3.136 8.105 1.00 0.00 C ATOM 355 O GLN A 24 5.623 -3.004 9.215 1.00 0.00 O ATOM 356 CB GLN A 24 6.337 -3.940 6.041 1.00 0.00 C ATOM 357 CG GLN A 24 7.723 -3.505 6.516 1.00 0.00 C ATOM 358 CD GLN A 24 7.628 -2.192 7.297 1.00 0.00 C ATOM 359 OE1 GLN A 24 8.216 -2.054 8.352 1.00 0.00 O ATOM 360 NE2 GLN A 24 6.907 -1.215 6.821 1.00 0.00 N ATOM 0 H GLN A 24 4.147 -4.798 5.627 1.00 0.00 H new ATOM 0 HA GLN A 24 5.990 -5.075 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.427 -4.776 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.858 -3.126 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.159 -4.280 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.386 -3.380 5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.413 -1.330 5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.837 -0.336 7.334 1.00 0.00 H new ATOM 369 N LEU A 25 4.317 -2.265 7.612 1.00 0.00 N ATOM 370 CA LEU A 25 3.924 -1.083 8.405 1.00 0.00 C ATOM 371 C LEU A 25 3.147 -1.561 9.629 1.00 0.00 C ATOM 372 O LEU A 25 2.972 -0.835 10.583 1.00 0.00 O ATOM 373 CB LEU A 25 3.020 -0.277 7.480 1.00 0.00 C ATOM 374 CG LEU A 25 3.786 0.152 6.224 1.00 0.00 C ATOM 375 CD1 LEU A 25 2.828 0.903 5.297 1.00 0.00 C ATOM 376 CD2 LEU A 25 4.943 1.078 6.599 1.00 0.00 C ATOM 0 H LEU A 25 3.892 -2.327 6.687 1.00 0.00 H new ATOM 0 HA LEU A 25 4.771 -0.491 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.153 -0.874 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.645 0.603 8.003 1.00 0.00 H new ATOM 0 HG LEU A 25 4.186 -0.732 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.361 1.214 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.001 0.249 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.439 1.782 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.478 1.375 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.552 1.965 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.625 0.555 7.270 1.00 0.00 H new ATOM 388 N ASP A 26 2.663 -2.787 9.576 1.00 0.00 N ATOM 389 CA ASP A 26 1.868 -3.371 10.696 1.00 0.00 C ATOM 390 C ASP A 26 0.434 -2.860 10.619 1.00 0.00 C ATOM 391 O ASP A 26 -0.222 -2.632 11.616 1.00 0.00 O ATOM 392 CB ASP A 26 2.547 -2.915 11.981 1.00 0.00 C ATOM 393 CG ASP A 26 2.045 -3.762 13.149 1.00 0.00 C ATOM 394 OD1 ASP A 26 1.221 -4.630 12.914 1.00 0.00 O ATOM 395 OD2 ASP A 26 2.492 -3.530 14.259 1.00 0.00 O ATOM 0 H ASP A 26 2.793 -3.414 8.782 1.00 0.00 H new ATOM 0 HA ASP A 26 1.828 -4.459 10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.629 -3.010 11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.334 -1.862 12.164 1.00 0.00 H new ATOM 475 N ALA A 32 -9.806 -2.584 2.792 1.00 0.00 N ATOM 476 CA ALA A 32 -9.298 -1.265 2.323 1.00 0.00 C ATOM 477 C ALA A 32 -8.710 -1.387 0.923 1.00 0.00 C ATOM 478 O ALA A 32 -8.412 -2.468 0.453 1.00 0.00 O ATOM 479 CB ALA A 32 -8.182 -0.904 3.301 1.00 0.00 C ATOM 0 HA ALA A 32 -10.092 -0.519 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.753 0.059 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.588 -0.844 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.407 -1.670 3.267 1.00 0.00 H new ATOM 485 N ALA A 33 -8.507 -0.280 0.270 1.00 0.00 N ATOM 486 CA ALA A 33 -7.896 -0.318 -1.088 1.00 0.00 C ATOM 487 C ALA A 33 -6.881 0.815 -1.176 1.00 0.00 C ATOM 488 O ALA A 33 -6.885 1.710 -0.355 1.00 0.00 O ATOM 489 CB ALA A 33 -9.046 -0.122 -2.071 1.00 0.00 C ATOM 0 H ALA A 33 -8.737 0.651 0.617 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.378 -1.252 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.660 -0.140 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.774 -0.923 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.527 0.838 -1.882 1.00 0.00 H new ATOM 495 N LEU A 34 -5.986 0.788 -2.121 1.00 0.00 N ATOM 496 CA LEU A 34 -4.976 1.878 -2.161 1.00 0.00 C ATOM 497 C LEU A 34 -4.504 2.190 -3.582 1.00 0.00 C ATOM 498 O LEU A 34 -4.680 1.410 -4.498 1.00 0.00 O ATOM 499 CB LEU A 34 -3.831 1.336 -1.286 1.00 0.00 C ATOM 500 CG LEU A 34 -2.565 1.042 -2.116 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.664 2.272 -2.115 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.811 -0.140 -1.499 1.00 0.00 C ATOM 0 H LEU A 34 -5.909 0.078 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.377 2.826 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.595 2.061 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.157 0.424 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.850 0.797 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.768 2.067 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.199 3.115 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.380 2.514 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.916 -0.347 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.525 0.105 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.454 -1.020 -1.495 1.00 0.00 H new ATOM 514 N ALA A 35 -3.860 3.316 -3.754 1.00 0.00 N ATOM 515 CA ALA A 35 -3.329 3.666 -5.097 1.00 0.00 C ATOM 516 C ALA A 35 -1.863 4.069 -4.959 1.00 0.00 C ATOM 517 O ALA A 35 -1.528 5.023 -4.291 1.00 0.00 O ATOM 518 CB ALA A 35 -4.183 4.830 -5.568 1.00 0.00 C ATOM 0 H ALA A 35 -3.681 4.004 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.371 2.840 -5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.852 5.148 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.227 4.519 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.084 5.660 -4.868 1.00 0.00 H new ATOM 524 N ILE A 36 -0.978 3.340 -5.565 1.00 0.00 N ATOM 525 CA ILE A 36 0.467 3.691 -5.422 1.00 0.00 C ATOM 526 C ILE A 36 0.939 4.526 -6.609 1.00 0.00 C ATOM 527 O ILE A 36 0.614 4.244 -7.739 1.00 0.00 O ATOM 528 CB ILE A 36 1.232 2.369 -5.395 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.684 1.471 -4.284 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.711 2.658 -5.127 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.629 0.287 -4.082 1.00 0.00 C ATOM 0 H ILE A 36 -1.181 2.527 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 36 0.633 4.276 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 36 1.116 1.862 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.587 2.037 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.313 1.116 -4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.267 1.721 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.106 3.296 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.815 3.163 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.243 -0.356 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.703 -0.282 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.617 0.653 -3.802 1.00 0.00 H new ATOM 543 N ASN A 37 1.707 5.550 -6.376 1.00 0.00 N ATOM 544 CA ASN A 37 2.178 6.373 -7.523 1.00 0.00 C ATOM 545 C ASN A 37 0.966 6.890 -8.298 1.00 0.00 C ATOM 546 O ASN A 37 1.060 7.206 -9.462 1.00 0.00 O ATOM 547 CB ASN A 37 2.999 5.416 -8.392 1.00 0.00 C ATOM 548 CG ASN A 37 4.467 5.451 -7.960 1.00 0.00 C ATOM 549 OD1 ASN A 37 5.193 6.363 -8.308 1.00 0.00 O ATOM 550 ND2 ASN A 37 4.939 4.490 -7.214 1.00 0.00 N ATOM 0 H ASN A 37 2.026 5.851 -5.455 1.00 0.00 H new ATOM 0 HA ASN A 37 2.767 7.236 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.608 4.403 -8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.913 5.699 -9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.916 4.504 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.330 3.725 -6.922 1.00 0.00 H new ATOM 557 N GLN A 38 -0.166 6.961 -7.637 1.00 0.00 N ATOM 558 CA GLN A 38 -1.437 7.447 -8.275 1.00 0.00 C ATOM 559 C GLN A 38 -2.142 6.304 -9.009 1.00 0.00 C ATOM 560 O GLN A 38 -3.240 6.462 -9.507 1.00 0.00 O ATOM 561 CB GLN A 38 -1.045 8.599 -9.229 1.00 0.00 C ATOM 562 CG GLN A 38 -0.912 8.105 -10.677 1.00 0.00 C ATOM 563 CD GLN A 38 -2.200 8.412 -11.440 1.00 0.00 C ATOM 564 OE1 GLN A 38 -2.452 9.547 -11.794 1.00 0.00 O ATOM 565 NE2 GLN A 38 -3.033 7.446 -11.707 1.00 0.00 N ATOM 0 H GLN A 38 -0.266 6.696 -6.657 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.145 7.808 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.797 9.387 -9.179 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.101 9.038 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.065 8.590 -11.162 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.715 7.033 -10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.821 6.493 -11.410 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.897 7.642 -12.213 1.00 0.00 H new ATOM 574 N GLN A 39 -1.544 5.149 -9.058 1.00 0.00 N ATOM 575 CA GLN A 39 -2.220 4.019 -9.739 1.00 0.00 C ATOM 576 C GLN A 39 -3.071 3.259 -8.724 1.00 0.00 C ATOM 577 O GLN A 39 -2.573 2.622 -7.819 1.00 0.00 O ATOM 578 CB GLN A 39 -1.104 3.125 -10.310 1.00 0.00 C ATOM 579 CG GLN A 39 -0.493 2.258 -9.205 1.00 0.00 C ATOM 580 CD GLN A 39 1.005 2.070 -9.457 1.00 0.00 C ATOM 581 OE1 GLN A 39 1.807 2.224 -8.557 1.00 0.00 O ATOM 582 NE2 GLN A 39 1.420 1.739 -10.649 1.00 0.00 N ATOM 0 H GLN A 39 -0.628 4.942 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.881 4.354 -10.538 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.507 2.489 -11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.330 3.744 -10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.651 2.727 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.990 1.288 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.748 1.609 -11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.416 1.610 -10.824 1.00 0.00 H new ATOM 591 N ILE A 40 -4.356 3.320 -8.848 1.00 0.00 N ATOM 592 CA ILE A 40 -5.190 2.585 -7.868 1.00 0.00 C ATOM 593 C ILE A 40 -5.089 1.096 -8.164 1.00 0.00 C ATOM 594 O ILE A 40 -5.505 0.625 -9.205 1.00 0.00 O ATOM 595 CB ILE A 40 -6.626 3.075 -8.080 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.837 4.390 -7.330 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.611 2.023 -7.550 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.168 5.531 -8.100 1.00 0.00 C ATOM 0 H ILE A 40 -4.861 3.835 -9.569 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.871 2.753 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.798 3.233 -9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.903 4.589 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.418 4.320 -6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.632 2.372 -7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.465 1.085 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.436 1.864 -6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.319 6.469 -7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.100 5.332 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.608 5.606 -9.094 1.00 0.00 H new ATOM 610 N VAL A 41 -4.535 0.352 -7.259 1.00 0.00 N ATOM 611 CA VAL A 41 -4.406 -1.103 -7.491 1.00 0.00 C ATOM 612 C VAL A 41 -5.379 -1.850 -6.637 1.00 0.00 C ATOM 613 O VAL A 41 -5.627 -1.485 -5.503 1.00 0.00 O ATOM 614 CB VAL A 41 -3.020 -1.481 -7.041 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.807 -2.975 -7.306 1.00 0.00 C ATOM 616 CG2 VAL A 41 -2.004 -0.653 -7.817 1.00 0.00 C ATOM 0 H VAL A 41 -4.166 0.688 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.592 -1.340 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.896 -1.285 -5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.806 -3.262 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.546 -3.552 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.917 -3.175 -8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.997 -0.920 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.111 -0.852 -8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.176 0.406 -7.626 1.00 0.00 H new ATOM 626 N PRO A 42 -5.873 -2.896 -7.186 1.00 0.00 N ATOM 627 CA PRO A 42 -6.794 -3.725 -6.434 1.00 0.00 C ATOM 628 C PRO A 42 -6.066 -4.503 -5.359 1.00 0.00 C ATOM 629 O PRO A 42 -5.145 -5.253 -5.604 1.00 0.00 O ATOM 630 CB PRO A 42 -7.384 -4.645 -7.459 1.00 0.00 C ATOM 631 CG PRO A 42 -6.393 -4.698 -8.576 1.00 0.00 C ATOM 632 CD PRO A 42 -5.635 -3.400 -8.543 1.00 0.00 C ATOM 0 HA PRO A 42 -7.554 -3.140 -5.916 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.556 -5.637 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.348 -4.275 -7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.717 -5.544 -8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.896 -4.828 -9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.573 -3.551 -8.734 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.999 -2.704 -9.299 1.00 0.00 H new ATOM 640 N ARG A 43 -6.520 -4.306 -4.180 1.00 0.00 N ATOM 641 CA ARG A 43 -5.959 -4.994 -2.976 1.00 0.00 C ATOM 642 C ARG A 43 -5.297 -6.325 -3.320 1.00 0.00 C ATOM 643 O ARG A 43 -4.140 -6.550 -3.040 1.00 0.00 O ATOM 644 CB ARG A 43 -7.170 -5.260 -2.076 1.00 0.00 C ATOM 645 CG ARG A 43 -8.399 -5.666 -2.907 1.00 0.00 C ATOM 646 CD ARG A 43 -9.553 -4.714 -2.587 1.00 0.00 C ATOM 647 NE ARG A 43 -10.306 -4.569 -3.862 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.546 -4.166 -3.839 1.00 0.00 C ATOM 649 NH1 ARG A 43 -12.510 -5.033 -3.684 1.00 0.00 N ATOM 650 NH2 ARG A 43 -11.823 -2.897 -3.965 1.00 0.00 N ATOM 0 H ARG A 43 -7.291 -3.671 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.190 -4.378 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.931 -6.050 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.399 -4.366 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.164 -5.628 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.684 -6.693 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.188 -5.117 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.183 -3.750 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.854 -4.784 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.293 -6.024 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.480 -4.719 -3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.069 -2.220 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.793 -2.583 -3.947 1.00 0.00 H new ATOM 664 N GLU A 44 -6.035 -7.212 -3.901 1.00 0.00 N ATOM 665 CA GLU A 44 -5.487 -8.543 -4.250 1.00 0.00 C ATOM 666 C GLU A 44 -4.062 -8.433 -4.802 1.00 0.00 C ATOM 667 O GLU A 44 -3.195 -9.214 -4.464 1.00 0.00 O ATOM 668 CB GLU A 44 -6.460 -9.042 -5.302 1.00 0.00 C ATOM 669 CG GLU A 44 -5.805 -10.140 -6.149 1.00 0.00 C ATOM 670 CD GLU A 44 -6.886 -11.022 -6.770 1.00 0.00 C ATOM 671 OE1 GLU A 44 -7.796 -11.402 -6.055 1.00 0.00 O ATOM 672 OE2 GLU A 44 -6.783 -11.307 -7.951 1.00 0.00 O ATOM 0 H GLU A 44 -7.013 -7.071 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.402 -9.214 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.359 -9.430 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.771 -8.216 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.193 -9.693 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.141 -10.743 -5.530 1.00 0.00 H new ATOM 679 N GLN A 45 -3.812 -7.479 -5.649 1.00 0.00 N ATOM 680 CA GLN A 45 -2.440 -7.338 -6.216 1.00 0.00 C ATOM 681 C GLN A 45 -1.444 -6.961 -5.118 1.00 0.00 C ATOM 682 O GLN A 45 -0.280 -7.282 -5.203 1.00 0.00 O ATOM 683 CB GLN A 45 -2.540 -6.223 -7.263 1.00 0.00 C ATOM 684 CG GLN A 45 -3.382 -6.696 -8.455 1.00 0.00 C ATOM 685 CD GLN A 45 -2.662 -7.836 -9.182 1.00 0.00 C ATOM 686 OE1 GLN A 45 -2.594 -8.941 -8.685 1.00 0.00 O ATOM 687 NE2 GLN A 45 -2.123 -7.611 -10.350 1.00 0.00 N ATOM 0 H GLN A 45 -4.492 -6.792 -5.974 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.086 -8.270 -6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.990 -5.335 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.543 -5.940 -7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.359 -7.033 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.555 -5.867 -9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.180 -6.682 -10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.645 -8.364 -10.845 1.00 0.00 H new ATOM 696 N TRP A 46 -1.887 -6.291 -4.087 1.00 0.00 N ATOM 697 CA TRP A 46 -0.964 -5.913 -2.989 1.00 0.00 C ATOM 698 C TRP A 46 0.020 -7.046 -2.695 1.00 0.00 C ATOM 699 O TRP A 46 1.176 -6.824 -2.398 1.00 0.00 O ATOM 700 CB TRP A 46 -1.871 -5.717 -1.768 1.00 0.00 C ATOM 701 CG TRP A 46 -2.675 -4.454 -1.871 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.738 -3.634 -2.948 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.543 -3.863 -0.858 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.582 -2.573 -2.652 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.102 -2.670 -1.373 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.891 -4.246 0.450 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.978 -1.886 -0.612 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.772 -3.461 1.212 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.313 -2.283 0.678 1.00 0.00 C ATOM 0 H TRP A 46 -2.854 -5.990 -3.962 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.382 -5.027 -3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.543 -6.570 -1.673 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.263 -5.689 -0.864 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.217 -3.782 -3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.794 -1.813 -3.299 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.478 -5.150 0.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.391 -0.978 -1.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.034 -3.766 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.990 -1.684 1.269 1.00 0.00 H new ATOM 720 N ALA A 47 -0.445 -8.253 -2.754 1.00 0.00 N ATOM 721 CA ALA A 47 0.432 -9.418 -2.455 1.00 0.00 C ATOM 722 C ALA A 47 1.443 -9.661 -3.574 1.00 0.00 C ATOM 723 O ALA A 47 2.338 -10.474 -3.447 1.00 0.00 O ATOM 724 CB ALA A 47 -0.538 -10.581 -2.372 1.00 0.00 C ATOM 0 H ALA A 47 -1.406 -8.490 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 47 1.017 -9.270 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.010 -11.497 -2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.263 -10.394 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.059 -10.688 -3.323 1.00 0.00 H new ATOM 730 N GLN A 48 1.310 -8.974 -4.667 1.00 0.00 N ATOM 731 CA GLN A 48 2.264 -9.182 -5.786 1.00 0.00 C ATOM 732 C GLN A 48 2.774 -7.833 -6.289 1.00 0.00 C ATOM 733 O GLN A 48 3.575 -7.756 -7.200 1.00 0.00 O ATOM 734 CB GLN A 48 1.448 -9.888 -6.871 1.00 0.00 C ATOM 735 CG GLN A 48 1.171 -11.332 -6.447 1.00 0.00 C ATOM 736 CD GLN A 48 1.587 -12.284 -7.571 1.00 0.00 C ATOM 737 OE1 GLN A 48 0.783 -12.646 -8.407 1.00 0.00 O ATOM 738 NE2 GLN A 48 2.820 -12.708 -7.624 1.00 0.00 N ATOM 0 H GLN A 48 0.584 -8.278 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 48 3.137 -9.765 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.509 -9.360 -7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.991 -9.874 -7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.721 -11.566 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.112 -11.459 -6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.495 -12.404 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.109 -13.344 -8.367 1.00 0.00 H new ATOM 747 N HIS A 49 2.305 -6.770 -5.702 1.00 0.00 N ATOM 748 CA HIS A 49 2.735 -5.418 -6.134 1.00 0.00 C ATOM 749 C HIS A 49 3.989 -4.984 -5.376 1.00 0.00 C ATOM 750 O HIS A 49 3.923 -4.195 -4.457 1.00 0.00 O ATOM 751 CB HIS A 49 1.549 -4.531 -5.777 1.00 0.00 C ATOM 752 CG HIS A 49 1.751 -3.168 -6.382 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.721 -2.248 -6.504 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.860 -2.558 -6.917 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.226 -1.149 -7.093 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.525 -1.285 -7.366 1.00 0.00 N ATOM 0 H HIS A 49 1.635 -6.783 -4.933 1.00 0.00 H new ATOM 0 HA HIS A 49 2.992 -5.371 -7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.624 -4.973 -6.148 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.452 -4.451 -4.694 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.843 -3.000 -6.979 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.650 -0.264 -7.318 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.140 -0.602 -7.809 1.00 0.00 H new ATOM 764 N ILE A 50 5.133 -5.495 -5.759 1.00 0.00 N ATOM 765 CA ILE A 50 6.391 -5.128 -5.059 1.00 0.00 C ATOM 766 C ILE A 50 6.534 -3.616 -4.984 1.00 0.00 C ATOM 767 O ILE A 50 6.405 -2.904 -5.959 1.00 0.00 O ATOM 768 CB ILE A 50 7.515 -5.722 -5.903 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.473 -7.244 -5.799 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.863 -5.212 -5.386 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.857 -7.666 -4.382 1.00 0.00 C ATOM 0 H ILE A 50 5.245 -6.153 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 50 6.408 -5.504 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 50 7.389 -5.424 -6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.475 -7.609 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.158 -7.688 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.667 -5.635 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.892 -4.125 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.991 -5.513 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.828 -8.753 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.864 -7.314 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.154 -7.233 -3.670 1.00 0.00 H new ATOM 783 N VAL A 51 6.777 -3.141 -3.806 1.00 0.00 N ATOM 784 CA VAL A 51 6.914 -1.683 -3.569 1.00 0.00 C ATOM 785 C VAL A 51 8.379 -1.246 -3.686 1.00 0.00 C ATOM 786 O VAL A 51 9.283 -1.997 -3.381 1.00 0.00 O ATOM 787 CB VAL A 51 6.395 -1.529 -2.149 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.364 -0.063 -1.790 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.980 -2.109 -2.076 1.00 0.00 C ATOM 0 H VAL A 51 6.890 -3.717 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 51 6.376 -1.067 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 51 7.044 -2.057 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.992 0.055 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.370 0.350 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.707 0.467 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.596 -2.005 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.330 -1.572 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.005 -3.164 -2.348 1.00 0.00 H new ATOM 799 N GLN A 52 8.623 -0.047 -4.156 1.00 0.00 N ATOM 800 CA GLN A 52 10.037 0.419 -4.324 1.00 0.00 C ATOM 801 C GLN A 52 10.393 1.571 -3.388 1.00 0.00 C ATOM 802 O GLN A 52 9.549 2.336 -2.967 1.00 0.00 O ATOM 803 CB GLN A 52 10.102 0.929 -5.754 1.00 0.00 C ATOM 804 CG GLN A 52 10.289 -0.252 -6.714 1.00 0.00 C ATOM 805 CD GLN A 52 9.335 -0.116 -7.905 1.00 0.00 C ATOM 806 OE1 GLN A 52 9.371 0.865 -8.621 1.00 0.00 O ATOM 807 NE2 GLN A 52 8.479 -1.072 -8.150 1.00 0.00 N ATOM 0 H GLN A 52 7.908 0.627 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 52 10.731 -0.391 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.188 1.469 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.927 1.633 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.320 -0.286 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.100 -1.190 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.449 -1.896 -7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.841 -0.995 -8.942 1.00 0.00 H new ATOM 816 N ASP A 53 11.661 1.717 -3.101 1.00 0.00 N ATOM 817 CA ASP A 53 12.113 2.840 -2.236 1.00 0.00 C ATOM 818 C ASP A 53 11.683 4.148 -2.881 1.00 0.00 C ATOM 819 O ASP A 53 12.125 4.523 -3.948 1.00 0.00 O ATOM 820 CB ASP A 53 13.630 2.708 -2.174 1.00 0.00 C ATOM 821 CG ASP A 53 14.295 4.085 -2.053 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.935 4.816 -1.145 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.154 4.383 -2.866 1.00 0.00 O ATOM 0 H ASP A 53 12.404 1.102 -3.432 1.00 0.00 H new ATOM 0 HA ASP A 53 11.688 2.820 -1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.911 2.088 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.992 2.202 -3.069 1.00 0.00 H new ATOM 828 N GLY A 54 10.769 4.790 -2.252 1.00 0.00 N ATOM 829 CA GLY A 54 10.190 6.038 -2.789 1.00 0.00 C ATOM 830 C GLY A 54 8.746 5.696 -3.133 1.00 0.00 C ATOM 831 O GLY A 54 8.036 6.447 -3.772 1.00 0.00 O ATOM 0 H GLY A 54 10.381 4.497 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.240 6.842 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.735 6.377 -3.670 1.00 0.00 H new ATOM 835 N ASP A 55 8.322 4.528 -2.708 1.00 0.00 N ATOM 836 CA ASP A 55 6.947 4.068 -2.986 1.00 0.00 C ATOM 837 C ASP A 55 5.911 5.121 -2.578 1.00 0.00 C ATOM 838 O ASP A 55 6.078 5.841 -1.622 1.00 0.00 O ATOM 839 CB ASP A 55 6.789 2.829 -2.122 1.00 0.00 C ATOM 840 CG ASP A 55 5.310 2.448 -2.069 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.755 2.165 -3.117 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.764 2.436 -0.984 1.00 0.00 O ATOM 0 H ASP A 55 8.890 3.872 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 55 6.790 3.878 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.376 2.007 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.165 3.020 -1.117 1.00 0.00 H new ATOM 847 N GLN A 56 4.826 5.192 -3.279 1.00 0.00 N ATOM 848 CA GLN A 56 3.759 6.164 -2.912 1.00 0.00 C ATOM 849 C GLN A 56 2.468 5.388 -2.701 1.00 0.00 C ATOM 850 O GLN A 56 2.255 4.371 -3.318 1.00 0.00 O ATOM 851 CB GLN A 56 3.672 7.113 -4.104 1.00 0.00 C ATOM 852 CG GLN A 56 2.318 7.820 -4.113 1.00 0.00 C ATOM 853 CD GLN A 56 2.276 8.899 -3.026 1.00 0.00 C ATOM 854 OE1 GLN A 56 1.268 9.076 -2.372 1.00 0.00 O ATOM 855 NE2 GLN A 56 3.329 9.639 -2.810 1.00 0.00 N ATOM 0 H GLN A 56 4.625 4.617 -4.097 1.00 0.00 H new ATOM 0 HA GLN A 56 3.954 6.722 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.475 7.848 -4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.807 6.557 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.142 8.271 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.520 7.096 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.177 9.492 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.304 10.364 -2.093 1.00 0.00 H new ATOM 864 N ILE A 57 1.621 5.815 -1.811 1.00 0.00 N ATOM 865 CA ILE A 57 0.380 5.029 -1.579 1.00 0.00 C ATOM 866 C ILE A 57 -0.851 5.915 -1.345 1.00 0.00 C ATOM 867 O ILE A 57 -0.827 6.851 -0.574 1.00 0.00 O ATOM 868 CB ILE A 57 0.686 4.217 -0.324 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.614 3.054 -0.658 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.609 3.675 0.277 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.289 2.593 0.631 1.00 0.00 C ATOM 0 H ILE A 57 1.729 6.656 -1.244 1.00 0.00 H new ATOM 0 HA ILE A 57 0.133 4.420 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 57 1.176 4.870 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.050 2.235 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.362 3.363 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.381 3.097 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.264 4.506 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.108 3.035 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.958 1.760 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.862 3.417 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.530 2.272 1.344 1.00 0.00 H new ATOM 883 N LEU A 58 -1.948 5.561 -1.961 1.00 0.00 N ATOM 884 CA LEU A 58 -3.218 6.299 -1.737 1.00 0.00 C ATOM 885 C LEU A 58 -4.146 5.372 -0.952 1.00 0.00 C ATOM 886 O LEU A 58 -4.059 4.171 -1.082 1.00 0.00 O ATOM 887 CB LEU A 58 -3.771 6.623 -3.123 1.00 0.00 C ATOM 888 CG LEU A 58 -3.517 8.101 -3.435 1.00 0.00 C ATOM 889 CD1 LEU A 58 -2.015 8.389 -3.378 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.040 8.429 -4.837 1.00 0.00 C ATOM 0 H LEU A 58 -2.015 4.782 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.099 7.223 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.294 5.993 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.839 6.410 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.035 8.715 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.838 9.441 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.638 8.160 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.498 7.771 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.858 9.481 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.524 7.811 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.111 8.229 -4.882 1.00 0.00 H new ATOM 902 N LEU A 59 -4.992 5.884 -0.102 1.00 0.00 N ATOM 903 CA LEU A 59 -5.849 4.955 0.691 1.00 0.00 C ATOM 904 C LEU A 59 -7.338 5.091 0.378 1.00 0.00 C ATOM 905 O LEU A 59 -7.865 6.170 0.201 1.00 0.00 O ATOM 906 CB LEU A 59 -5.606 5.298 2.157 1.00 0.00 C ATOM 907 CG LEU A 59 -6.419 4.325 3.013 1.00 0.00 C ATOM 908 CD1 LEU A 59 -5.962 2.892 2.726 1.00 0.00 C ATOM 909 CD2 LEU A 59 -6.214 4.637 4.496 1.00 0.00 C ATOM 0 H LEU A 59 -5.127 6.879 0.077 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.584 3.927 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.545 5.220 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.904 6.326 2.362 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.476 4.430 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.540 2.197 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.116 2.665 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.904 2.792 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.796 3.940 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.158 4.538 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.542 5.656 4.702 1.00 0.00 H new ATOM 921 N PHE A 60 -8.013 3.974 0.350 1.00 0.00 N ATOM 922 CA PHE A 60 -9.477 3.959 0.096 1.00 0.00 C ATOM 923 C PHE A 60 -10.163 3.258 1.278 1.00 0.00 C ATOM 924 O PHE A 60 -9.561 2.431 1.939 1.00 0.00 O ATOM 925 CB PHE A 60 -9.624 3.177 -1.207 1.00 0.00 C ATOM 926 CG PHE A 60 -8.879 3.920 -2.291 1.00 0.00 C ATOM 927 CD1 PHE A 60 -9.197 5.255 -2.560 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.865 3.284 -3.018 1.00 0.00 C ATOM 929 CE1 PHE A 60 -8.506 5.955 -3.558 1.00 0.00 C ATOM 930 CE2 PHE A 60 -7.172 3.983 -4.015 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.493 5.319 -4.285 1.00 0.00 C ATOM 0 H PHE A 60 -7.600 3.053 0.496 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.932 4.945 0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.224 2.170 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.676 3.074 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.977 5.747 -1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.617 2.254 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.755 6.985 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.390 3.492 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.959 5.858 -5.054 1.00 0.00 H new