USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -158:sc= 1.13 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.161 K(o=0.97,f=-2.8!) USER MOD Set 2.1: A 112 THR OG1 : rot 72:sc= 0.227 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.218 USER MOD Set 3.1: A 85 THR OG1 : rot 75:sc= 0.182 USER MOD Set 3.2: A 90 GLN : amide:sc= 0.173 X(o=0.36,f=0.02) USER MOD Single : A 84 ASN : amide:sc= 0.0903 K(o=0.09,f=-9.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.794 K(o=-0.79,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.01) USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= 1.25 (180deg=1.02) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.851 USER MOD Single : A 99 SER OG : rot 135:sc= -2.26! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 59:sc= 0.368 USER MOD Single : A 109 TYR OH : rot 50:sc= 1.2 USER MOD Single : A 115 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 119 LYS NZ :NH3+ -167:sc= -0.0244 (180deg=-0.226) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 123 CYS SG : rot 110:sc= -4.74! USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -3.34! K(o=-3.3!,f=-2.7) USER MOD Single : A 137 ASN : amide:sc= -0.0335 X(o=-0.033,f=-0.24) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot -32:sc= 0.0941 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -6.486 -7.029 -9.315 1.00 0.00 N ATOM 2 CA ASN A 84 -6.926 -8.174 -8.519 1.00 0.00 C ATOM 3 C ASN A 84 -8.285 -7.872 -7.932 1.00 0.00 C ATOM 4 O ASN A 84 -8.416 -7.024 -7.055 1.00 0.00 O ATOM 5 CB ASN A 84 -5.916 -8.491 -7.393 1.00 0.00 C ATOM 6 CG ASN A 84 -6.257 -9.759 -6.593 1.00 0.00 C ATOM 7 OD1 ASN A 84 -7.427 -10.134 -6.418 1.00 0.00 O ATOM 8 ND2 ASN A 84 -5.242 -10.422 -6.095 1.00 0.00 N ATOM 0 HA ASN A 84 -6.988 -9.050 -9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.923 -8.604 -7.829 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.870 -7.643 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.404 -11.268 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.290 -10.092 -6.254 1.00 0.00 H new ATOM 17 N THR A 85 -9.285 -8.560 -8.393 1.00 0.00 N ATOM 18 CA THR A 85 -10.618 -8.340 -7.924 1.00 0.00 C ATOM 19 C THR A 85 -11.210 -9.657 -7.356 1.00 0.00 C ATOM 20 O THR A 85 -12.426 -9.831 -7.253 1.00 0.00 O ATOM 21 CB THR A 85 -11.498 -7.738 -9.060 1.00 0.00 C ATOM 22 OG1 THR A 85 -12.774 -7.308 -8.550 1.00 0.00 O ATOM 23 CG2 THR A 85 -11.700 -8.732 -10.178 1.00 0.00 C ATOM 0 H THR A 85 -9.200 -9.288 -9.103 1.00 0.00 H new ATOM 0 HA THR A 85 -10.601 -7.615 -7.111 1.00 0.00 H new ATOM 0 HB THR A 85 -10.970 -6.872 -9.458 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.662 -6.473 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 85 -12.318 -8.284 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.733 -9.009 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.195 -9.622 -9.789 1.00 0.00 H new ATOM 31 N ALA A 86 -10.333 -10.559 -6.933 1.00 0.00 N ATOM 32 CA ALA A 86 -10.780 -11.840 -6.407 1.00 0.00 C ATOM 33 C ALA A 86 -10.314 -12.101 -4.964 1.00 0.00 C ATOM 34 O ALA A 86 -10.908 -12.911 -4.260 1.00 0.00 O ATOM 35 CB ALA A 86 -10.330 -12.968 -7.326 1.00 0.00 C ATOM 0 H ALA A 86 -9.321 -10.429 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.869 -11.804 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.669 -13.922 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.756 -12.821 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.242 -12.969 -7.395 1.00 0.00 H new ATOM 41 N ALA A 87 -9.295 -11.403 -4.512 1.00 0.00 N ATOM 42 CA ALA A 87 -8.715 -11.687 -3.192 1.00 0.00 C ATOM 43 C ALA A 87 -9.154 -10.694 -2.123 1.00 0.00 C ATOM 44 O ALA A 87 -8.561 -10.649 -1.036 1.00 0.00 O ATOM 45 CB ALA A 87 -7.208 -11.682 -3.292 1.00 0.00 C ATOM 0 H ALA A 87 -8.847 -10.642 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.079 -12.668 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.778 -11.893 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.888 -12.446 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.869 -10.704 -3.634 1.00 0.00 H new ATOM 51 N SER A 88 -10.200 -9.915 -2.421 1.00 0.00 N ATOM 52 CA SER A 88 -10.706 -8.861 -1.533 1.00 0.00 C ATOM 53 C SER A 88 -9.629 -7.779 -1.335 1.00 0.00 C ATOM 54 O SER A 88 -9.637 -7.012 -0.376 1.00 0.00 O ATOM 55 CB SER A 88 -11.149 -9.469 -0.207 1.00 0.00 C ATOM 56 OG SER A 88 -12.218 -10.399 -0.398 1.00 0.00 O ATOM 0 H SER A 88 -10.724 -9.999 -3.292 1.00 0.00 H new ATOM 0 HA SER A 88 -11.575 -8.384 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.305 -9.972 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.468 -8.677 0.471 1.00 0.00 H new ATOM 0 HG SER A 88 -12.482 -10.776 0.467 1.00 0.00 H new ATOM 62 N LEU A 89 -8.780 -7.685 -2.329 1.00 0.00 N ATOM 63 CA LEU A 89 -7.624 -6.826 -2.362 1.00 0.00 C ATOM 64 C LEU A 89 -8.015 -5.413 -2.837 1.00 0.00 C ATOM 65 O LEU A 89 -7.216 -4.511 -2.910 1.00 0.00 O ATOM 66 CB LEU A 89 -6.569 -7.538 -3.253 1.00 0.00 C ATOM 67 CG LEU A 89 -5.104 -7.087 -3.181 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.214 -8.188 -3.690 1.00 0.00 C ATOM 69 CD2 LEU A 89 -4.871 -5.859 -4.009 1.00 0.00 C ATOM 0 H LEU A 89 -8.883 -8.235 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.190 -6.668 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.598 -8.600 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.893 -7.438 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.874 -6.858 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.173 -7.868 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.350 -9.079 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.473 -8.416 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.824 -5.565 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.118 -6.070 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.501 -5.049 -3.643 1.00 0.00 H new ATOM 81 N GLN A 90 -9.264 -5.227 -3.102 1.00 0.00 N ATOM 82 CA GLN A 90 -9.742 -3.904 -3.501 1.00 0.00 C ATOM 83 C GLN A 90 -10.372 -3.188 -2.314 1.00 0.00 C ATOM 84 O GLN A 90 -10.938 -2.097 -2.443 1.00 0.00 O ATOM 85 CB GLN A 90 -10.703 -3.961 -4.696 1.00 0.00 C ATOM 86 CG GLN A 90 -10.066 -4.509 -5.960 1.00 0.00 C ATOM 87 CD GLN A 90 -10.993 -4.495 -7.162 1.00 0.00 C ATOM 88 OE1 GLN A 90 -12.212 -4.610 -7.038 1.00 0.00 O ATOM 89 NE2 GLN A 90 -10.422 -4.374 -8.334 1.00 0.00 N ATOM 0 H GLN A 90 -9.981 -5.951 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.876 -3.331 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.561 -4.580 -4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.082 -2.959 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.176 -3.924 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.737 -5.532 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.408 -4.281 -8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.991 -4.373 -9.181 1.00 0.00 H new ATOM 98 N GLN A 91 -10.253 -3.801 -1.155 1.00 0.00 N ATOM 99 CA GLN A 91 -10.759 -3.251 0.072 1.00 0.00 C ATOM 100 C GLN A 91 -9.772 -3.529 1.195 1.00 0.00 C ATOM 101 O GLN A 91 -9.317 -4.658 1.378 1.00 0.00 O ATOM 102 CB GLN A 91 -12.164 -3.789 0.392 1.00 0.00 C ATOM 103 CG GLN A 91 -12.273 -5.304 0.470 1.00 0.00 C ATOM 104 CD GLN A 91 -13.691 -5.795 0.709 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.067 -6.888 0.270 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.484 -5.018 1.405 1.00 0.00 N ATOM 0 H GLN A 91 -9.796 -4.706 -1.044 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.863 -2.171 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.489 -3.368 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.856 -3.429 -0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.898 -5.736 -0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.631 -5.666 1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.143 -4.122 1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.442 -5.309 1.599 1.00 0.00 H new ATOM 115 N TRP A 92 -9.400 -2.494 1.895 1.00 0.00 N ATOM 116 CA TRP A 92 -8.418 -2.568 2.958 1.00 0.00 C ATOM 117 C TRP A 92 -8.891 -1.727 4.109 1.00 0.00 C ATOM 118 O TRP A 92 -9.832 -0.939 3.941 1.00 0.00 O ATOM 119 CB TRP A 92 -7.073 -2.030 2.490 1.00 0.00 C ATOM 120 CG TRP A 92 -6.465 -2.752 1.339 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.731 -2.547 0.027 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.465 -3.776 1.390 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.981 -3.380 -0.736 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.190 -4.142 0.066 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.780 -4.420 2.422 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.260 -5.114 -0.262 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.853 -5.390 2.089 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.601 -5.723 0.756 1.00 0.00 C ATOM 0 H TRP A 92 -9.773 -1.556 1.746 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.300 -3.610 3.255 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.195 -0.982 2.217 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.376 -2.062 3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.437 -1.825 -0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.006 -3.428 -1.755 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.970 -4.167 3.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.066 -5.378 -1.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.314 -5.900 2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.866 -6.481 0.531 1.00 0.00 H new ATOM 139 N LYS A 93 -8.303 -1.906 5.268 1.00 0.00 N ATOM 140 CA LYS A 93 -8.645 -1.091 6.418 1.00 0.00 C ATOM 141 C LYS A 93 -7.375 -0.557 7.067 1.00 0.00 C ATOM 142 O LYS A 93 -6.298 -1.146 6.911 1.00 0.00 O ATOM 143 CB LYS A 93 -9.490 -1.877 7.416 1.00 0.00 C ATOM 144 CG LYS A 93 -8.766 -2.981 8.136 1.00 0.00 C ATOM 145 CD LYS A 93 -9.783 -3.910 8.795 1.00 0.00 C ATOM 146 CE LYS A 93 -9.150 -5.117 9.463 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.186 -4.754 10.513 1.00 0.00 N ATOM 0 H LYS A 93 -7.584 -2.608 5.444 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.246 -0.245 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.890 -1.183 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.342 -2.306 6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.146 -3.541 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.098 -2.562 8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.350 -3.348 9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.494 -4.251 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.934 -5.738 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.646 -5.720 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.864 -5.614 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.370 -4.273 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.642 -4.118 11.198 1.00 0.00 H new ATOM 161 N VAL A 94 -7.496 0.552 7.758 1.00 0.00 N ATOM 162 CA VAL A 94 -6.371 1.183 8.414 1.00 0.00 C ATOM 163 C VAL A 94 -5.780 0.264 9.475 1.00 0.00 C ATOM 164 O VAL A 94 -6.493 -0.244 10.346 1.00 0.00 O ATOM 165 CB VAL A 94 -6.777 2.536 9.068 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.611 3.160 9.817 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.298 3.504 8.024 1.00 0.00 C ATOM 0 H VAL A 94 -8.380 1.045 7.883 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.621 1.380 7.648 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.572 2.327 9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.927 4.103 10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.278 2.482 10.603 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.790 3.343 9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.576 4.442 8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.522 3.692 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.172 3.075 7.534 1.00 0.00 H new ATOM 177 N GLY A 95 -4.492 0.054 9.389 1.00 0.00 N ATOM 178 CA GLY A 95 -3.804 -0.751 10.357 1.00 0.00 C ATOM 179 C GLY A 95 -3.489 -2.117 9.844 1.00 0.00 C ATOM 180 O GLY A 95 -3.025 -2.975 10.594 1.00 0.00 O ATOM 0 H GLY A 95 -3.897 0.433 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.879 -0.253 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.416 -0.836 11.255 1.00 0.00 H new ATOM 184 N ASP A 96 -3.765 -2.345 8.589 1.00 0.00 N ATOM 185 CA ASP A 96 -3.473 -3.621 7.970 1.00 0.00 C ATOM 186 C ASP A 96 -2.263 -3.511 7.110 1.00 0.00 C ATOM 187 O ASP A 96 -1.960 -2.439 6.585 1.00 0.00 O ATOM 188 CB ASP A 96 -4.661 -4.157 7.174 1.00 0.00 C ATOM 189 CG ASP A 96 -5.714 -4.812 8.041 1.00 0.00 C ATOM 190 OD1 ASP A 96 -5.892 -4.417 9.215 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.406 -5.733 7.561 1.00 0.00 O ATOM 0 H ASP A 96 -4.195 -1.662 7.966 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.275 -4.338 8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.116 -3.338 6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.302 -4.880 6.441 1.00 0.00 H new ATOM 196 N LYS A 97 -1.538 -4.580 7.003 1.00 0.00 N ATOM 197 CA LYS A 97 -0.339 -4.601 6.224 1.00 0.00 C ATOM 198 C LYS A 97 -0.636 -4.962 4.798 1.00 0.00 C ATOM 199 O LYS A 97 -1.589 -5.697 4.518 1.00 0.00 O ATOM 200 CB LYS A 97 0.584 -5.595 6.832 1.00 0.00 C ATOM 201 CG LYS A 97 0.790 -5.305 8.300 1.00 0.00 C ATOM 202 CD LYS A 97 1.451 -6.429 9.005 1.00 0.00 C ATOM 203 CE LYS A 97 2.923 -6.501 8.686 1.00 0.00 C ATOM 204 NZ LYS A 97 3.600 -7.601 9.409 1.00 0.00 N ATOM 0 H LYS A 97 -1.762 -5.467 7.455 1.00 0.00 H new ATOM 0 HA LYS A 97 0.120 -3.612 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.178 -6.599 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.543 -5.573 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.394 -4.404 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.174 -5.102 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.317 -6.313 10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.972 -7.367 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.054 -6.640 7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.396 -5.554 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.519 -7.269 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.009 -7.907 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.749 -8.402 8.762 1.00 0.00 H new ATOM 218 N CYS A 98 0.178 -4.467 3.918 1.00 0.00 N ATOM 219 CA CYS A 98 0.020 -4.674 2.523 1.00 0.00 C ATOM 220 C CYS A 98 1.374 -4.512 1.842 1.00 0.00 C ATOM 221 O CYS A 98 2.423 -4.499 2.500 1.00 0.00 O ATOM 222 CB CYS A 98 -0.971 -3.639 1.976 1.00 0.00 C ATOM 223 SG CYS A 98 -0.469 -1.938 2.285 1.00 0.00 S ATOM 0 H CYS A 98 0.987 -3.896 4.161 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.362 -5.676 2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.085 -3.787 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.949 -3.809 2.426 1.00 0.00 H new ATOM 0 HG CYS A 98 0.521 -1.924 3.127 1.00 0.00 H new ATOM 229 N SER A 99 1.346 -4.435 0.569 1.00 0.00 N ATOM 230 CA SER A 99 2.495 -4.142 -0.223 1.00 0.00 C ATOM 231 C SER A 99 2.150 -3.029 -1.162 1.00 0.00 C ATOM 232 O SER A 99 1.002 -2.924 -1.615 1.00 0.00 O ATOM 233 CB SER A 99 2.957 -5.368 -0.978 1.00 0.00 C ATOM 234 OG SER A 99 3.427 -6.352 -0.091 1.00 0.00 O ATOM 0 H SER A 99 0.498 -4.578 0.021 1.00 0.00 H new ATOM 0 HA SER A 99 3.319 -3.835 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.134 -5.768 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.748 -5.094 -1.677 1.00 0.00 H new ATOM 0 HG SER A 99 3.062 -7.225 -0.347 1.00 0.00 H new ATOM 240 N ALA A 100 3.093 -2.192 -1.423 1.00 0.00 N ATOM 241 CA ALA A 100 2.878 -1.068 -2.261 1.00 0.00 C ATOM 242 C ALA A 100 4.029 -0.911 -3.210 1.00 0.00 C ATOM 243 O ALA A 100 5.112 -1.481 -2.995 1.00 0.00 O ATOM 244 CB ALA A 100 2.696 0.183 -1.426 1.00 0.00 C ATOM 0 H ALA A 100 4.042 -2.270 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 100 1.969 -1.225 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.532 1.038 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.835 0.060 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.590 0.353 -0.826 1.00 0.00 H new ATOM 250 N ILE A 101 3.784 -0.198 -4.262 1.00 0.00 N ATOM 251 CA ILE A 101 4.778 0.090 -5.244 1.00 0.00 C ATOM 252 C ILE A 101 5.411 1.410 -4.916 1.00 0.00 C ATOM 253 O ILE A 101 4.766 2.466 -5.024 1.00 0.00 O ATOM 254 CB ILE A 101 4.162 0.119 -6.664 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.764 -1.292 -7.094 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.102 0.762 -7.693 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.915 -2.181 -7.488 1.00 0.00 C ATOM 0 H ILE A 101 2.871 0.208 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 101 5.535 -0.694 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 101 3.269 0.742 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.220 -1.766 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.075 -1.219 -7.935 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.625 0.759 -8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.317 1.789 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.032 0.196 -7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.535 -3.161 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.448 -1.736 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.596 -2.291 -6.644 1.00 0.00 H new ATOM 269 N TRP A 102 6.646 1.350 -4.500 1.00 0.00 N ATOM 270 CA TRP A 102 7.377 2.530 -4.146 1.00 0.00 C ATOM 271 C TRP A 102 7.564 3.317 -5.383 1.00 0.00 C ATOM 272 O TRP A 102 8.158 2.828 -6.328 1.00 0.00 O ATOM 273 CB TRP A 102 8.729 2.167 -3.574 1.00 0.00 C ATOM 274 CG TRP A 102 9.364 3.263 -2.773 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.729 4.230 -2.053 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.751 3.460 -2.564 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.651 5.024 -1.424 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.903 4.563 -1.720 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.877 2.815 -3.011 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.159 5.018 -1.321 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.103 3.270 -2.616 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.233 4.358 -1.777 1.00 0.00 C ATOM 0 H TRP A 102 7.171 0.482 -4.398 1.00 0.00 H new ATOM 0 HA TRP A 102 6.832 3.098 -3.392 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.620 1.285 -2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.397 1.894 -4.391 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.658 4.352 -1.988 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.438 5.827 -0.832 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.795 1.960 -3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.263 5.872 -0.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.991 2.767 -2.968 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.219 4.684 -1.482 1.00 0.00 H new ATOM 293 N SER A 103 7.091 4.523 -5.373 1.00 0.00 N ATOM 294 CA SER A 103 7.099 5.387 -6.529 1.00 0.00 C ATOM 295 C SER A 103 8.524 5.649 -6.991 1.00 0.00 C ATOM 296 O SER A 103 8.777 5.951 -8.151 1.00 0.00 O ATOM 297 CB SER A 103 6.428 6.694 -6.141 1.00 0.00 C ATOM 298 OG SER A 103 6.181 7.534 -7.262 1.00 0.00 O ATOM 0 H SER A 103 6.677 4.952 -4.545 1.00 0.00 H new ATOM 0 HA SER A 103 6.564 4.913 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.485 6.479 -5.638 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.058 7.224 -5.426 1.00 0.00 H new ATOM 0 HG SER A 103 5.748 8.360 -6.962 1.00 0.00 H new ATOM 304 N GLU A 104 9.445 5.476 -6.080 1.00 0.00 N ATOM 305 CA GLU A 104 10.817 5.798 -6.305 1.00 0.00 C ATOM 306 C GLU A 104 11.556 4.715 -7.082 1.00 0.00 C ATOM 307 O GLU A 104 12.327 5.020 -7.983 1.00 0.00 O ATOM 308 CB GLU A 104 11.420 6.021 -4.972 1.00 0.00 C ATOM 309 CG GLU A 104 10.607 7.018 -4.192 1.00 0.00 C ATOM 310 CD GLU A 104 10.717 8.426 -4.702 1.00 0.00 C ATOM 311 OE1 GLU A 104 11.803 9.031 -4.601 1.00 0.00 O ATOM 312 OE2 GLU A 104 9.718 8.955 -5.232 1.00 0.00 O ATOM 0 H GLU A 104 9.254 5.102 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 104 10.895 6.689 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.473 5.079 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.442 6.383 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.560 6.715 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.924 6.994 -3.149 1.00 0.00 H new ATOM 319 N ASP A 105 11.318 3.461 -6.755 1.00 0.00 N ATOM 320 CA ASP A 105 11.996 2.373 -7.487 1.00 0.00 C ATOM 321 C ASP A 105 11.047 1.666 -8.416 1.00 0.00 C ATOM 322 O ASP A 105 11.463 0.889 -9.272 1.00 0.00 O ATOM 323 CB ASP A 105 12.639 1.326 -6.552 1.00 0.00 C ATOM 324 CG ASP A 105 13.868 1.806 -5.810 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.640 2.623 -6.350 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.115 1.337 -4.685 1.00 0.00 O ATOM 0 H ASP A 105 10.684 3.160 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 105 12.789 2.857 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.895 1.005 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.907 0.449 -7.142 1.00 0.00 H new ATOM 331 N GLY A 106 9.759 1.896 -8.216 1.00 0.00 N ATOM 332 CA GLY A 106 8.726 1.259 -9.032 1.00 0.00 C ATOM 333 C GLY A 106 8.517 -0.186 -8.625 1.00 0.00 C ATOM 334 O GLY A 106 7.711 -0.914 -9.218 1.00 0.00 O ATOM 0 H GLY A 106 9.399 2.520 -7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.789 1.807 -8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.010 1.306 -10.083 1.00 0.00 H new ATOM 338 N CYS A 107 9.268 -0.588 -7.639 1.00 0.00 N ATOM 339 CA CYS A 107 9.299 -1.898 -7.137 1.00 0.00 C ATOM 340 C CYS A 107 8.297 -2.108 -5.993 1.00 0.00 C ATOM 341 O CYS A 107 7.791 -1.138 -5.403 1.00 0.00 O ATOM 342 CB CYS A 107 10.711 -2.161 -6.702 1.00 0.00 C ATOM 343 SG CYS A 107 11.918 -2.185 -8.053 1.00 0.00 S ATOM 0 H CYS A 107 9.905 0.040 -7.148 1.00 0.00 H new ATOM 0 HA CYS A 107 8.996 -2.606 -7.908 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.005 -1.397 -5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.746 -3.119 -6.183 1.00 0.00 H new ATOM 0 HG CYS A 107 11.896 -1.044 -8.675 1.00 0.00 H new ATOM 349 N ILE A 108 8.031 -3.364 -5.690 1.00 0.00 N ATOM 350 CA ILE A 108 7.113 -3.759 -4.640 1.00 0.00 C ATOM 351 C ILE A 108 7.845 -3.855 -3.315 1.00 0.00 C ATOM 352 O ILE A 108 8.940 -4.438 -3.236 1.00 0.00 O ATOM 353 CB ILE A 108 6.504 -5.144 -4.919 1.00 0.00 C ATOM 354 CG1 ILE A 108 6.021 -5.224 -6.359 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.354 -5.382 -3.951 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.379 -6.546 -6.742 1.00 0.00 C ATOM 0 H ILE A 108 8.456 -4.154 -6.177 1.00 0.00 H new ATOM 0 HA ILE A 108 6.327 -3.005 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 108 7.260 -5.916 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.302 -4.423 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.867 -5.041 -7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.915 -6.362 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.726 -5.343 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.596 -4.612 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.066 -6.510 -7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.099 -7.353 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.510 -6.725 -6.109 1.00 0.00 H new ATOM 368 N TYR A 109 7.259 -3.289 -2.297 1.00 0.00 N ATOM 369 CA TYR A 109 7.807 -3.305 -0.961 1.00 0.00 C ATOM 370 C TYR A 109 6.679 -3.416 0.061 1.00 0.00 C ATOM 371 O TYR A 109 5.546 -2.996 -0.225 1.00 0.00 O ATOM 372 CB TYR A 109 8.580 -2.037 -0.691 1.00 0.00 C ATOM 373 CG TYR A 109 9.841 -1.822 -1.508 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.794 -1.170 -2.733 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.079 -2.202 -1.011 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.945 -0.910 -3.443 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.240 -1.930 -1.711 1.00 0.00 C ATOM 378 CZ TYR A 109 12.166 -1.282 -2.927 1.00 0.00 C ATOM 379 OH TYR A 109 13.323 -0.998 -3.619 1.00 0.00 O ATOM 0 H TYR A 109 6.370 -2.793 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 109 8.475 -4.162 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.915 -1.190 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.851 -2.022 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.840 -0.862 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.137 -2.718 -0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.890 -0.416 -4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.199 -2.223 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 109 13.324 -0.054 -3.882 1.00 0.00 H new ATOM 389 N PRO A 110 6.955 -3.996 1.248 1.00 0.00 N ATOM 390 CA PRO A 110 5.958 -4.130 2.315 1.00 0.00 C ATOM 391 C PRO A 110 5.627 -2.777 2.962 1.00 0.00 C ATOM 392 O PRO A 110 6.521 -1.993 3.308 1.00 0.00 O ATOM 393 CB PRO A 110 6.644 -5.045 3.337 1.00 0.00 C ATOM 394 CG PRO A 110 8.102 -4.834 3.117 1.00 0.00 C ATOM 395 CD PRO A 110 8.266 -4.557 1.650 1.00 0.00 C ATOM 0 HA PRO A 110 5.011 -4.520 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.356 -4.786 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.367 -6.088 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.470 -4.000 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.672 -5.714 3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.077 -3.852 1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.500 -5.466 1.095 1.00 0.00 H new ATOM 403 N ALA A 111 4.361 -2.518 3.137 1.00 0.00 N ATOM 404 CA ALA A 111 3.915 -1.286 3.716 1.00 0.00 C ATOM 405 C ALA A 111 2.676 -1.524 4.542 1.00 0.00 C ATOM 406 O ALA A 111 1.925 -2.444 4.280 1.00 0.00 O ATOM 407 CB ALA A 111 3.637 -0.270 2.632 1.00 0.00 C ATOM 0 H ALA A 111 3.609 -3.158 2.881 1.00 0.00 H new ATOM 0 HA ALA A 111 4.699 -0.895 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.299 0.662 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.548 -0.087 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.863 -0.651 1.966 1.00 0.00 H new ATOM 413 N THR A 112 2.453 -0.711 5.511 1.00 0.00 N ATOM 414 CA THR A 112 1.309 -0.871 6.362 1.00 0.00 C ATOM 415 C THR A 112 0.403 0.353 6.231 1.00 0.00 C ATOM 416 O THR A 112 0.885 1.486 6.181 1.00 0.00 O ATOM 417 CB THR A 112 1.744 -1.100 7.831 1.00 0.00 C ATOM 418 OG1 THR A 112 2.723 -2.161 7.860 1.00 0.00 O ATOM 419 CG2 THR A 112 0.557 -1.528 8.684 1.00 0.00 C ATOM 0 H THR A 112 3.050 0.083 5.743 1.00 0.00 H new ATOM 0 HA THR A 112 0.749 -1.753 6.051 1.00 0.00 H new ATOM 0 HB THR A 112 2.153 -0.170 8.225 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.568 -1.837 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.885 -1.683 9.712 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.207 -0.751 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.143 -2.456 8.291 1.00 0.00 H new ATOM 427 N ILE A 113 -0.885 0.113 6.124 1.00 0.00 N ATOM 428 CA ILE A 113 -1.875 1.161 5.928 1.00 0.00 C ATOM 429 C ILE A 113 -1.966 2.072 7.146 1.00 0.00 C ATOM 430 O ILE A 113 -2.318 1.625 8.249 1.00 0.00 O ATOM 431 CB ILE A 113 -3.247 0.542 5.653 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.142 -0.411 4.472 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.269 1.637 5.354 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.301 -1.341 4.363 1.00 0.00 C ATOM 0 H ILE A 113 -1.284 -0.825 6.171 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.562 1.759 5.072 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.577 -0.008 6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.062 0.168 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.225 -0.993 4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.241 1.184 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.345 2.307 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.951 2.202 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.164 -1.993 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.369 -1.945 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.219 -0.766 4.241 1.00 0.00 H new ATOM 446 N ALA A 114 -1.659 3.328 6.937 1.00 0.00 N ATOM 447 CA ALA A 114 -1.669 4.318 7.985 1.00 0.00 C ATOM 448 C ALA A 114 -2.990 5.065 8.014 1.00 0.00 C ATOM 449 O ALA A 114 -3.493 5.391 9.079 1.00 0.00 O ATOM 450 CB ALA A 114 -0.522 5.294 7.800 1.00 0.00 C ATOM 0 H ALA A 114 -1.392 3.696 6.024 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.546 3.803 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.543 6.035 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.424 4.754 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.622 5.795 6.837 1.00 0.00 H new ATOM 456 N SER A 115 -3.542 5.351 6.843 1.00 0.00 N ATOM 457 CA SER A 115 -4.820 6.065 6.728 1.00 0.00 C ATOM 458 C SER A 115 -5.421 5.759 5.358 1.00 0.00 C ATOM 459 O SER A 115 -4.679 5.486 4.427 1.00 0.00 O ATOM 460 CB SER A 115 -4.598 7.589 6.836 1.00 0.00 C ATOM 461 OG SER A 115 -3.885 7.952 8.020 1.00 0.00 O ATOM 0 H SER A 115 -3.125 5.099 5.947 1.00 0.00 H new ATOM 0 HA SER A 115 -5.484 5.743 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.047 7.936 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.563 8.096 6.826 1.00 0.00 H new ATOM 0 HG SER A 115 -3.766 8.924 8.045 1.00 0.00 H new ATOM 467 N ILE A 116 -6.737 5.797 5.242 1.00 0.00 N ATOM 468 CA ILE A 116 -7.426 5.560 3.987 1.00 0.00 C ATOM 469 C ILE A 116 -8.372 6.711 3.709 1.00 0.00 C ATOM 470 O ILE A 116 -9.094 7.167 4.608 1.00 0.00 O ATOM 471 CB ILE A 116 -8.269 4.250 4.017 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.395 3.045 4.341 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.001 4.037 2.681 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.152 1.754 4.421 1.00 0.00 C ATOM 0 H ILE A 116 -7.362 5.995 6.023 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.664 5.469 3.213 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.015 4.354 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.620 2.955 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.890 3.219 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.582 3.116 2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.668 4.878 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.272 3.965 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.463 0.942 4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.909 1.824 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.635 1.556 3.464 1.00 0.00 H new ATOM 486 N ASP A 117 -8.352 7.190 2.502 1.00 0.00 N ATOM 487 CA ASP A 117 -9.274 8.201 2.062 1.00 0.00 C ATOM 488 C ASP A 117 -10.224 7.531 1.119 1.00 0.00 C ATOM 489 O ASP A 117 -9.877 7.239 -0.032 1.00 0.00 O ATOM 490 CB ASP A 117 -8.567 9.343 1.351 1.00 0.00 C ATOM 491 CG ASP A 117 -9.494 10.511 1.065 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.322 10.435 0.140 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.398 11.544 1.778 1.00 0.00 O ATOM 0 H ASP A 117 -7.691 6.889 1.786 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.786 8.635 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.733 9.687 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.147 8.979 0.414 1.00 0.00 H new ATOM 498 N PHE A 118 -11.399 7.252 1.595 1.00 0.00 N ATOM 499 CA PHE A 118 -12.379 6.507 0.841 1.00 0.00 C ATOM 500 C PHE A 118 -12.951 7.312 -0.313 1.00 0.00 C ATOM 501 O PHE A 118 -13.491 6.742 -1.262 1.00 0.00 O ATOM 502 CB PHE A 118 -13.488 5.989 1.753 1.00 0.00 C ATOM 503 CG PHE A 118 -13.028 4.958 2.754 1.00 0.00 C ATOM 504 CD1 PHE A 118 -13.001 3.613 2.418 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.622 5.333 4.024 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.578 2.662 3.331 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.198 4.388 4.939 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.176 3.051 4.591 1.00 0.00 C ATOM 0 H PHE A 118 -11.714 7.534 2.523 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.865 5.651 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.926 6.831 2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.278 5.557 1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.314 3.303 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.637 6.376 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.563 1.618 3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.884 4.695 5.926 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.844 2.312 5.305 1.00 0.00 H new ATOM 518 N LYS A 119 -12.794 8.621 -0.253 1.00 0.00 N ATOM 519 CA LYS A 119 -13.288 9.494 -1.303 1.00 0.00 C ATOM 520 C LYS A 119 -12.409 9.347 -2.538 1.00 0.00 C ATOM 521 O LYS A 119 -12.900 9.302 -3.663 1.00 0.00 O ATOM 522 CB LYS A 119 -13.286 10.957 -0.846 1.00 0.00 C ATOM 523 CG LYS A 119 -14.086 11.246 0.417 1.00 0.00 C ATOM 524 CD LYS A 119 -15.568 10.979 0.236 1.00 0.00 C ATOM 525 CE LYS A 119 -16.341 11.282 1.514 1.00 0.00 C ATOM 526 NZ LYS A 119 -15.914 10.423 2.637 1.00 0.00 N ATOM 0 H LYS A 119 -12.327 9.105 0.514 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.313 9.207 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.254 11.268 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.679 11.573 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -13.706 10.632 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.940 12.287 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.954 11.591 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -15.721 9.938 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.199 12.328 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.407 11.141 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.600 10.501 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -15.864 9.434 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.977 10.727 2.970 1.00 0.00 H new ATOM 540 N ARG A 120 -11.110 9.239 -2.320 1.00 0.00 N ATOM 541 CA ARG A 120 -10.165 9.111 -3.422 1.00 0.00 C ATOM 542 C ARG A 120 -9.872 7.659 -3.712 1.00 0.00 C ATOM 543 O ARG A 120 -9.200 7.347 -4.693 1.00 0.00 O ATOM 544 CB ARG A 120 -8.851 9.793 -3.068 1.00 0.00 C ATOM 545 CG ARG A 120 -8.983 11.236 -2.672 1.00 0.00 C ATOM 546 CD ARG A 120 -9.542 12.064 -3.789 1.00 0.00 C ATOM 547 NE ARG A 120 -9.737 13.447 -3.395 1.00 0.00 N ATOM 548 CZ ARG A 120 -9.894 14.455 -4.242 1.00 0.00 C ATOM 549 NH1 ARG A 120 -9.748 14.253 -5.556 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.180 15.672 -3.786 1.00 0.00 N ATOM 0 H ARG A 120 -10.684 9.237 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.614 9.579 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.382 9.247 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.179 9.724 -3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.630 11.317 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.007 11.625 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.867 12.022 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.493 11.642 -4.113 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.754 13.658 -2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.516 13.324 -5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.869 15.028 -6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.279 15.831 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.300 16.446 -4.439 1.00 0.00 H new ATOM 564 N GLU A 121 -10.376 6.784 -2.849 1.00 0.00 N ATOM 565 CA GLU A 121 -10.125 5.344 -2.910 1.00 0.00 C ATOM 566 C GLU A 121 -8.630 5.064 -2.740 1.00 0.00 C ATOM 567 O GLU A 121 -8.107 4.038 -3.184 1.00 0.00 O ATOM 568 CB GLU A 121 -10.665 4.711 -4.206 1.00 0.00 C ATOM 569 CG GLU A 121 -12.169 4.821 -4.370 1.00 0.00 C ATOM 570 CD GLU A 121 -12.695 3.967 -5.493 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.959 2.762 -5.257 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.882 4.473 -6.620 1.00 0.00 O ATOM 0 H GLU A 121 -10.980 7.057 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.668 4.878 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.182 5.187 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.384 3.658 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.654 4.529 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.435 5.862 -4.555 1.00 0.00 H new ATOM 579 N THR A 122 -7.962 5.949 -2.051 1.00 0.00 N ATOM 580 CA THR A 122 -6.557 5.822 -1.850 1.00 0.00 C ATOM 581 C THR A 122 -6.244 5.723 -0.374 1.00 0.00 C ATOM 582 O THR A 122 -7.093 5.993 0.465 1.00 0.00 O ATOM 583 CB THR A 122 -5.773 6.996 -2.488 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.256 8.260 -1.988 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.885 6.986 -4.002 1.00 0.00 C ATOM 0 H THR A 122 -8.380 6.772 -1.618 1.00 0.00 H new ATOM 0 HA THR A 122 -6.237 4.906 -2.346 1.00 0.00 H new ATOM 0 HB THR A 122 -4.726 6.868 -2.215 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.749 8.990 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.323 7.824 -4.414 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.481 6.051 -4.391 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.932 7.076 -4.290 1.00 0.00 H new ATOM 593 N CYS A 123 -5.060 5.323 -0.063 1.00 0.00 N ATOM 594 CA CYS A 123 -4.630 5.204 1.286 1.00 0.00 C ATOM 595 C CYS A 123 -3.161 5.489 1.386 1.00 0.00 C ATOM 596 O CYS A 123 -2.414 5.288 0.428 1.00 0.00 O ATOM 597 CB CYS A 123 -4.919 3.808 1.795 1.00 0.00 C ATOM 598 SG CYS A 123 -4.271 2.509 0.732 1.00 0.00 S ATOM 0 H CYS A 123 -4.352 5.065 -0.750 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.172 5.927 1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.492 3.698 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.997 3.682 1.894 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.277 1.917 1.326 1.00 0.00 H new ATOM 604 N VAL A 124 -2.758 5.949 2.513 1.00 0.00 N ATOM 605 CA VAL A 124 -1.390 6.207 2.780 1.00 0.00 C ATOM 606 C VAL A 124 -0.834 5.016 3.506 1.00 0.00 C ATOM 607 O VAL A 124 -1.435 4.536 4.483 1.00 0.00 O ATOM 608 CB VAL A 124 -1.205 7.473 3.641 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.271 7.713 3.937 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.805 8.671 2.931 1.00 0.00 C ATOM 0 H VAL A 124 -3.382 6.161 3.292 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.867 6.377 1.839 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.721 7.329 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.379 8.611 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.678 6.858 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.814 7.842 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.671 9.562 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.307 8.812 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.869 8.501 2.766 1.00 0.00 H new ATOM 620 N VAL A 125 0.275 4.540 3.054 1.00 0.00 N ATOM 621 CA VAL A 125 0.888 3.397 3.635 1.00 0.00 C ATOM 622 C VAL A 125 2.294 3.755 4.056 1.00 0.00 C ATOM 623 O VAL A 125 2.942 4.609 3.441 1.00 0.00 O ATOM 624 CB VAL A 125 0.936 2.185 2.640 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.454 1.770 2.169 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.845 2.478 1.448 1.00 0.00 C ATOM 0 H VAL A 125 0.785 4.936 2.265 1.00 0.00 H new ATOM 0 HA VAL A 125 0.291 3.094 4.496 1.00 0.00 H new ATOM 0 HB VAL A 125 1.357 1.345 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.369 0.928 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.057 1.478 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.930 2.607 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.856 1.618 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.472 3.351 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.857 2.675 1.802 1.00 0.00 H new ATOM 636 N VAL A 126 2.730 3.154 5.103 1.00 0.00 N ATOM 637 CA VAL A 126 4.044 3.352 5.618 1.00 0.00 C ATOM 638 C VAL A 126 4.869 2.135 5.319 1.00 0.00 C ATOM 639 O VAL A 126 4.496 1.028 5.676 1.00 0.00 O ATOM 640 CB VAL A 126 4.029 3.645 7.141 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.448 3.603 7.720 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.386 5.012 7.397 1.00 0.00 C ATOM 0 H VAL A 126 2.171 2.493 5.643 1.00 0.00 H new ATOM 0 HA VAL A 126 4.482 4.225 5.135 1.00 0.00 H new ATOM 0 HB VAL A 126 3.441 2.874 7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.411 3.812 8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.878 2.615 7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.065 4.353 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.377 5.215 8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.960 5.785 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.363 5.010 7.020 1.00 0.00 H new ATOM 652 N TYR A 127 5.955 2.340 4.637 1.00 0.00 N ATOM 653 CA TYR A 127 6.831 1.273 4.259 1.00 0.00 C ATOM 654 C TYR A 127 7.547 0.748 5.457 1.00 0.00 C ATOM 655 O TYR A 127 8.362 1.453 6.094 1.00 0.00 O ATOM 656 CB TYR A 127 7.795 1.711 3.193 1.00 0.00 C ATOM 657 CG TYR A 127 7.118 2.040 1.898 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.700 1.024 1.047 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.899 3.354 1.517 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.082 1.306 -0.140 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.284 3.642 0.329 1.00 0.00 C ATOM 662 CZ TYR A 127 5.877 2.615 -0.497 1.00 0.00 C ATOM 663 OH TYR A 127 5.223 2.898 -1.668 1.00 0.00 O ATOM 0 H TYR A 127 6.261 3.261 4.324 1.00 0.00 H new ATOM 0 HA TYR A 127 6.231 0.467 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.344 2.585 3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.527 0.921 3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.866 -0.006 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.217 4.159 2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.759 0.506 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.118 4.669 0.039 1.00 0.00 H new ATOM 0 HH TYR A 127 5.452 3.805 -1.959 1.00 0.00 H new ATOM 673 N THR A 128 7.238 -0.464 5.754 1.00 0.00 N ATOM 674 CA THR A 128 7.692 -1.137 6.903 1.00 0.00 C ATOM 675 C THR A 128 9.210 -1.312 6.880 1.00 0.00 C ATOM 676 O THR A 128 9.788 -1.759 5.886 1.00 0.00 O ATOM 677 CB THR A 128 6.993 -2.489 6.913 1.00 0.00 C ATOM 678 OG1 THR A 128 5.567 -2.266 6.858 1.00 0.00 O ATOM 679 CG2 THR A 128 7.359 -3.303 8.132 1.00 0.00 C ATOM 0 H THR A 128 6.630 -1.036 5.168 1.00 0.00 H new ATOM 0 HA THR A 128 7.462 -0.566 7.802 1.00 0.00 H new ATOM 0 HB THR A 128 7.318 -3.063 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.101 -3.128 6.862 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.839 -4.260 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.435 -3.475 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.068 -2.762 9.032 1.00 0.00 H new ATOM 687 N GLY A 129 9.843 -0.928 7.969 1.00 0.00 N ATOM 688 CA GLY A 129 11.270 -1.059 8.098 1.00 0.00 C ATOM 689 C GLY A 129 12.006 0.127 7.535 1.00 0.00 C ATOM 690 O GLY A 129 13.202 0.300 7.781 1.00 0.00 O ATOM 0 H GLY A 129 9.382 -0.519 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.528 -1.178 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.597 -1.964 7.586 1.00 0.00 H new ATOM 694 N TYR A 130 11.317 0.944 6.778 1.00 0.00 N ATOM 695 CA TYR A 130 11.934 2.097 6.189 1.00 0.00 C ATOM 696 C TYR A 130 11.420 3.357 6.845 1.00 0.00 C ATOM 697 O TYR A 130 12.190 4.254 7.175 1.00 0.00 O ATOM 698 CB TYR A 130 11.688 2.130 4.700 1.00 0.00 C ATOM 699 CG TYR A 130 12.198 0.914 3.966 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.553 0.716 3.790 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.324 -0.033 3.449 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.028 -0.385 3.120 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.793 -1.140 2.775 1.00 0.00 C ATOM 704 CZ TYR A 130 13.148 -1.308 2.614 1.00 0.00 C ATOM 705 OH TYR A 130 13.633 -2.416 1.960 1.00 0.00 O ATOM 0 H TYR A 130 10.328 0.828 6.557 1.00 0.00 H new ATOM 0 HA TYR A 130 13.010 2.037 6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.617 2.227 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.162 3.019 4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.251 1.439 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.260 0.100 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.091 -0.524 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.102 -1.869 2.377 1.00 0.00 H new ATOM 0 HH TYR A 130 12.884 -2.974 1.662 1.00 0.00 H new ATOM 715 N GLY A 131 10.120 3.422 7.037 1.00 0.00 N ATOM 716 CA GLY A 131 9.548 4.549 7.718 1.00 0.00 C ATOM 717 C GLY A 131 9.025 5.620 6.795 1.00 0.00 C ATOM 718 O GLY A 131 8.678 6.707 7.247 1.00 0.00 O ATOM 0 H GLY A 131 9.451 2.714 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.734 4.202 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.301 4.985 8.374 1.00 0.00 H new ATOM 722 N ASN A 132 8.955 5.338 5.514 1.00 0.00 N ATOM 723 CA ASN A 132 8.406 6.319 4.579 1.00 0.00 C ATOM 724 C ASN A 132 6.956 6.086 4.415 1.00 0.00 C ATOM 725 O ASN A 132 6.467 5.015 4.729 1.00 0.00 O ATOM 726 CB ASN A 132 9.064 6.305 3.198 1.00 0.00 C ATOM 727 CG ASN A 132 10.465 6.855 3.172 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.850 7.669 4.010 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.215 6.461 2.185 1.00 0.00 N ATOM 0 H ASN A 132 9.261 4.461 5.093 1.00 0.00 H new ATOM 0 HA ASN A 132 8.611 7.296 5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.082 5.280 2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.447 6.882 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.161 6.829 2.085 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.857 5.784 1.511 1.00 0.00 H new ATOM 736 N ARG A 133 6.276 7.041 3.889 1.00 0.00 N ATOM 737 CA ARG A 133 4.862 6.938 3.726 1.00 0.00 C ATOM 738 C ARG A 133 4.494 7.423 2.345 1.00 0.00 C ATOM 739 O ARG A 133 5.061 8.396 1.843 1.00 0.00 O ATOM 740 CB ARG A 133 4.120 7.678 4.872 1.00 0.00 C ATOM 741 CG ARG A 133 4.309 9.184 4.924 1.00 0.00 C ATOM 742 CD ARG A 133 3.366 9.892 3.983 1.00 0.00 C ATOM 743 NE ARG A 133 3.614 11.330 3.930 1.00 0.00 N ATOM 744 CZ ARG A 133 4.244 11.965 2.920 1.00 0.00 C ATOM 745 NH1 ARG A 133 4.748 11.272 1.890 1.00 0.00 N ATOM 746 NH2 ARG A 133 4.387 13.284 2.955 1.00 0.00 N ATOM 0 H ARG A 133 6.679 7.917 3.558 1.00 0.00 H new ATOM 0 HA ARG A 133 4.541 5.899 3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.054 7.468 4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.449 7.257 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.143 9.538 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.338 9.432 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.469 9.470 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.338 9.714 4.300 1.00 0.00 H new ATOM 0 HE ARG A 133 3.287 11.895 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 133 4.657 10.256 1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 133 5.223 11.760 1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.021 13.816 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 133 4.863 13.766 2.192 1.00 0.00 H new ATOM 760 N GLU A 134 3.606 6.750 1.729 1.00 0.00 N ATOM 761 CA GLU A 134 3.243 7.045 0.400 1.00 0.00 C ATOM 762 C GLU A 134 1.765 6.768 0.201 1.00 0.00 C ATOM 763 O GLU A 134 1.206 5.904 0.878 1.00 0.00 O ATOM 764 CB GLU A 134 4.141 6.206 -0.491 1.00 0.00 C ATOM 765 CG GLU A 134 3.899 6.321 -1.944 1.00 0.00 C ATOM 766 CD GLU A 134 5.194 6.178 -2.727 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.891 7.214 -2.904 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.556 5.063 -3.141 1.00 0.00 O ATOM 0 H GLU A 134 3.101 5.965 2.139 1.00 0.00 H new ATOM 0 HA GLU A 134 3.382 8.097 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.177 6.481 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.029 5.160 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.193 5.553 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.442 7.285 -2.165 1.00 0.00 H new ATOM 775 N GLU A 135 1.145 7.485 -0.706 1.00 0.00 N ATOM 776 CA GLU A 135 -0.263 7.355 -0.945 1.00 0.00 C ATOM 777 C GLU A 135 -0.468 6.521 -2.179 1.00 0.00 C ATOM 778 O GLU A 135 0.025 6.846 -3.269 1.00 0.00 O ATOM 779 CB GLU A 135 -0.924 8.718 -1.127 1.00 0.00 C ATOM 780 CG GLU A 135 -2.426 8.631 -1.331 1.00 0.00 C ATOM 781 CD GLU A 135 -3.060 9.957 -1.601 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.381 10.684 -0.638 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.267 10.295 -2.781 1.00 0.00 O ATOM 0 H GLU A 135 1.608 8.175 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.723 6.876 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.718 9.335 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.476 9.221 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.635 7.959 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.882 8.191 -0.444 1.00 0.00 H new ATOM 790 N GLN A 136 -1.172 5.459 -1.995 1.00 0.00 N ATOM 791 CA GLN A 136 -1.396 4.476 -3.001 1.00 0.00 C ATOM 792 C GLN A 136 -2.876 4.230 -3.087 1.00 0.00 C ATOM 793 O GLN A 136 -3.607 4.576 -2.176 1.00 0.00 O ATOM 794 CB GLN A 136 -0.702 3.186 -2.579 1.00 0.00 C ATOM 795 CG GLN A 136 0.761 3.376 -2.214 1.00 0.00 C ATOM 796 CD GLN A 136 1.664 3.560 -3.411 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.250 4.031 -4.476 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.905 3.275 -3.224 1.00 0.00 N ATOM 0 H GLN A 136 -1.625 5.242 -1.107 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.009 4.809 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.229 2.762 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.775 2.462 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.854 4.245 -1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.100 2.511 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.210 2.887 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.583 3.437 -3.968 1.00 0.00 H new ATOM 807 N ASN A 137 -3.306 3.637 -4.140 1.00 0.00 N ATOM 808 CA ASN A 137 -4.715 3.330 -4.325 1.00 0.00 C ATOM 809 C ASN A 137 -4.984 2.024 -3.673 1.00 0.00 C ATOM 810 O ASN A 137 -4.136 1.140 -3.706 1.00 0.00 O ATOM 811 CB ASN A 137 -5.050 3.202 -5.807 1.00 0.00 C ATOM 812 CG ASN A 137 -4.706 4.417 -6.620 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.535 5.288 -6.836 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.466 4.509 -7.042 1.00 0.00 N ATOM 0 H ASN A 137 -2.707 3.342 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.318 4.129 -3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.519 2.342 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.116 2.998 -5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.166 5.329 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.802 3.761 -6.842 1.00 0.00 H new ATOM 821 N LEU A 138 -6.144 1.893 -3.103 1.00 0.00 N ATOM 822 CA LEU A 138 -6.565 0.656 -2.437 1.00 0.00 C ATOM 823 C LEU A 138 -6.521 -0.522 -3.410 1.00 0.00 C ATOM 824 O LEU A 138 -6.063 -1.598 -3.077 1.00 0.00 O ATOM 825 CB LEU A 138 -7.979 0.826 -1.880 1.00 0.00 C ATOM 826 CG LEU A 138 -8.154 1.918 -0.834 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.621 2.222 -0.648 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.542 1.491 0.484 1.00 0.00 C ATOM 0 H LEU A 138 -6.843 2.635 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.878 0.448 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.653 1.034 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.293 -0.122 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.644 2.817 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.738 3.004 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.045 2.559 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.140 1.322 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.676 2.283 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.031 0.582 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.478 1.300 0.346 1.00 0.00 H new ATOM 840 N SER A 139 -6.953 -0.281 -4.622 1.00 0.00 N ATOM 841 CA SER A 139 -6.968 -1.309 -5.640 1.00 0.00 C ATOM 842 C SER A 139 -5.582 -1.476 -6.286 1.00 0.00 C ATOM 843 O SER A 139 -5.365 -2.396 -7.085 1.00 0.00 O ATOM 844 CB SER A 139 -8.011 -0.973 -6.697 1.00 0.00 C ATOM 845 OG SER A 139 -9.292 -0.774 -6.104 1.00 0.00 O ATOM 0 H SER A 139 -7.303 0.625 -4.933 1.00 0.00 H new ATOM 0 HA SER A 139 -7.229 -2.256 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.712 -0.074 -7.236 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.066 -1.779 -7.428 1.00 0.00 H new ATOM 0 HG SER A 139 -9.945 -0.558 -6.802 1.00 0.00 H new ATOM 851 N ASP A 140 -4.650 -0.590 -5.944 1.00 0.00 N ATOM 852 CA ASP A 140 -3.305 -0.639 -6.528 1.00 0.00 C ATOM 853 C ASP A 140 -2.361 -1.259 -5.526 1.00 0.00 C ATOM 854 O ASP A 140 -1.181 -1.503 -5.809 1.00 0.00 O ATOM 855 CB ASP A 140 -2.808 0.758 -6.928 1.00 0.00 C ATOM 856 CG ASP A 140 -1.538 0.745 -7.775 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.626 0.506 -8.997 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.437 1.014 -7.253 1.00 0.00 O ATOM 0 H ASP A 140 -4.795 0.164 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.341 -1.242 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.596 1.269 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.624 1.340 -6.025 1.00 0.00 H new ATOM 863 N LEU A 141 -2.890 -1.520 -4.341 1.00 0.00 N ATOM 864 CA LEU A 141 -2.140 -2.185 -3.314 1.00 0.00 C ATOM 865 C LEU A 141 -1.904 -3.624 -3.689 1.00 0.00 C ATOM 866 O LEU A 141 -2.426 -4.123 -4.698 1.00 0.00 O ATOM 867 CB LEU A 141 -2.825 -2.098 -1.948 1.00 0.00 C ATOM 868 CG LEU A 141 -2.970 -0.706 -1.343 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.583 -0.785 0.041 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.632 -0.004 -1.295 1.00 0.00 C ATOM 0 H LEU A 141 -3.844 -1.275 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.182 -1.672 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.819 -2.536 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.266 -2.717 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.638 -0.125 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.678 0.219 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.569 -1.245 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.944 -1.385 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.757 0.988 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.939 -0.583 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.234 0.090 -2.305 1.00 0.00 H new ATOM 882 N LEU A 142 -1.100 -4.267 -2.920 1.00 0.00 N ATOM 883 CA LEU A 142 -0.725 -5.627 -3.162 1.00 0.00 C ATOM 884 C LEU A 142 -0.721 -6.365 -1.852 1.00 0.00 C ATOM 885 O LEU A 142 -0.698 -5.730 -0.787 1.00 0.00 O ATOM 886 CB LEU A 142 0.671 -5.625 -3.774 1.00 0.00 C ATOM 887 CG LEU A 142 0.793 -4.866 -5.086 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.227 -4.545 -5.394 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.164 -5.654 -6.211 1.00 0.00 C ATOM 0 H LEU A 142 -0.673 -3.861 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.423 -6.117 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.367 -5.193 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.982 -6.657 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 142 0.257 -3.922 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.284 -4.002 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.642 -3.929 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.798 -5.470 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.260 -5.097 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.669 -6.615 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.891 -5.819 -5.994 1.00 0.00 H new ATOM 901 N SER A 143 -0.742 -7.671 -1.912 1.00 0.00 N ATOM 902 CA SER A 143 -0.709 -8.491 -0.723 1.00 0.00 C ATOM 903 C SER A 143 0.659 -8.345 -0.042 1.00 0.00 C ATOM 904 O SER A 143 1.699 -8.316 -0.724 1.00 0.00 O ATOM 905 CB SER A 143 -1.016 -9.941 -1.089 1.00 0.00 C ATOM 906 OG SER A 143 -2.271 -10.025 -1.760 1.00 0.00 O ATOM 0 H SER A 143 -0.782 -8.198 -2.784 1.00 0.00 H new ATOM 0 HA SER A 143 -1.471 -8.163 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.227 -10.337 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.035 -10.555 -0.188 1.00 0.00 H new ATOM 0 HG SER A 143 -2.456 -10.959 -1.991 1.00 0.00 H new ATOM 912 N PRO A 144 0.675 -8.232 1.297 1.00 0.00 N ATOM 913 CA PRO A 144 1.890 -7.931 2.059 1.00 0.00 C ATOM 914 C PRO A 144 3.005 -8.957 1.937 1.00 0.00 C ATOM 915 O PRO A 144 2.774 -10.164 1.878 1.00 0.00 O ATOM 916 CB PRO A 144 1.424 -7.845 3.498 1.00 0.00 C ATOM 917 CG PRO A 144 0.137 -8.607 3.535 1.00 0.00 C ATOM 918 CD PRO A 144 -0.491 -8.419 2.186 1.00 0.00 C ATOM 0 HA PRO A 144 2.338 -7.016 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.158 -8.278 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.278 -6.809 3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.314 -9.663 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.515 -8.234 4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.086 -9.284 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.155 -7.555 2.167 1.00 0.00 H new ATOM 926 N ILE A 145 4.206 -8.444 1.900 1.00 0.00 N ATOM 927 CA ILE A 145 5.410 -9.242 1.856 1.00 0.00 C ATOM 928 C ILE A 145 5.878 -9.462 3.293 1.00 0.00 C ATOM 929 O ILE A 145 5.459 -8.719 4.195 1.00 0.00 O ATOM 930 CB ILE A 145 6.538 -8.531 1.029 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.003 -8.140 -0.355 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.754 -9.448 0.875 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.020 -7.457 -1.253 1.00 0.00 C ATOM 0 H ILE A 145 4.382 -7.439 1.899 1.00 0.00 H new ATOM 0 HA ILE A 145 5.198 -10.192 1.366 1.00 0.00 H new ATOM 0 HB ILE A 145 6.846 -7.633 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.638 -9.037 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.148 -7.477 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.525 -8.936 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.146 -9.701 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.459 -10.360 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.557 -7.216 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.368 -6.540 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.866 -8.124 -1.417 1.00 0.00 H new ATOM 945 N CYS A 146 6.696 -10.508 3.497 1.00 0.00 N ATOM 946 CA CYS A 146 7.258 -10.911 4.775 1.00 0.00 C ATOM 947 C CYS A 146 6.171 -11.554 5.639 1.00 0.00 C ATOM 948 O CYS A 146 6.348 -11.819 6.836 1.00 0.00 O ATOM 949 CB CYS A 146 7.936 -9.713 5.437 1.00 0.00 C ATOM 950 SG CYS A 146 8.735 -10.027 7.029 1.00 0.00 S ATOM 0 H CYS A 146 6.990 -11.117 2.733 1.00 0.00 H new ATOM 0 HA CYS A 146 8.029 -11.668 4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 146 8.685 -9.320 4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 146 7.190 -8.931 5.577 1.00 0.00 H new ATOM 0 HG CYS A 146 8.085 -10.955 7.665 1.00 0.00 H new ATOM 956 N GLU A 147 5.073 -11.831 4.999 1.00 0.00 N ATOM 957 CA GLU A 147 3.950 -12.473 5.613 1.00 0.00 C ATOM 958 C GLU A 147 3.938 -13.916 5.200 1.00 0.00 C ATOM 959 O GLU A 147 4.331 -14.780 5.998 1.00 0.00 O ATOM 960 CB GLU A 147 2.639 -11.802 5.202 1.00 0.00 C ATOM 961 CG GLU A 147 2.442 -10.409 5.766 1.00 0.00 C ATOM 962 CD GLU A 147 2.369 -10.409 7.266 1.00 0.00 C ATOM 963 OE1 GLU A 147 1.384 -10.926 7.821 1.00 0.00 O ATOM 964 OE2 GLU A 147 3.285 -9.870 7.919 1.00 0.00 O ATOM 965 OXT GLU A 147 3.592 -14.190 4.044 1.00 0.00 O ATOM 0 H GLU A 147 4.931 -11.611 4.013 1.00 0.00 H new ATOM 0 HA GLU A 147 4.040 -12.390 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 147 2.598 -11.749 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 147 1.808 -12.431 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 147 3.264 -9.769 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 147 1.526 -9.981 5.359 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.447 2.146 -3.364 1.00 0.00 N HETATM 974 CA 2MR A1148 16.400 2.491 -1.947 1.00 0.00 C HETATM 975 CB 2MR A1148 15.887 1.303 -1.144 1.00 0.00 C HETATM 976 CG 2MR A1148 15.816 1.498 0.362 1.00 0.00 C HETATM 977 CD 2MR A1148 14.567 2.239 0.732 1.00 0.00 C HETATM 978 NE 2MR A1148 13.402 1.496 0.266 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.165 1.790 0.536 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.909 2.880 1.324 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.644 3.461 1.802 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.225 1.027 -0.032 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.784 1.079 0.051 1.00 0.00 C HETATM 984 C 2MR A1148 17.783 2.868 -1.495 1.00 0.00 C HETATM 985 O 2MR A1148 17.980 4.005 -1.038 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.696 2.030 -1.607 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.474 0.949 1.088 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.433 2.044 -0.314 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.356 0.283 -0.558 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 10.032 3.753 0.948 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.107 2.723 2.398 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.855 4.338 2.414 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.588 0.281 -0.625 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.834 0.530 0.862 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.690 2.051 0.706 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.572 0.679 -0.320 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.518 2.372 1.813 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.578 3.235 0.288 1.00 0.00 H new HETATM 0 HB3 2MR A1148 14.890 1.049 -1.505 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.529 0.446 -1.350 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.724 3.332 -1.790 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.769 2.833 -4.046 1.00 0.00 H new HETATM 0 H 2MR A1148 16.157 1.218 -3.673 1.00 0.00 H new