USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 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 -169:sc= 1.08 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.335 K(o=0.75,f=-2.8!) USER MOD Set 2.1: A 112 THR OG1 : rot 74:sc= 0.568 USER MOD Set 2.2: A 128 THR OG1 : rot 173:sc= 0.521 USER MOD Set 3.1: A 84 ASN : amide:sc= -0.155 K(o=0.87,f=1.8) USER MOD Set 3.2: A 88 SER OG : rot -4:sc= 1.02 USER MOD Single : A 85 THR OG1 : rot -6:sc= 1.2 USER MOD Single : A 90 GLN : amide:sc= -0.8 K(o=-0.8,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.48) USER MOD Single : A 93 LYS NZ :NH3+ 136:sc= 0.517 (180deg=-0.13) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -10:sc= 0.427 USER MOD Single : A 99 SER OG : rot 139:sc= -2.23! USER MOD Single : A 103 SER OG : rot 133:sc= 0.998 USER MOD Single : A 107 CYS SG : rot 57:sc= 0.0705 USER MOD Single : A 109 TYR OH : rot -120:sc= 0.925 USER MOD Single : A 115 SER OG : rot 180:sc= -0.076 USER MOD Single : A 119 LYS NZ :NH3+ -177:sc= -1.29! (180deg=-1.51!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 123 CYS SG : rot -13:sc= -4.89! USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -3.02! K(o=-3!,f=-2.4) USER MOD Single : A 137 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.038) USER MOD Single : A 139 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -13.624 -16.482 -1.983 1.00 0.00 N ATOM 2 CA ASN A 84 -13.840 -15.200 -2.670 1.00 0.00 C ATOM 3 C ASN A 84 -12.760 -14.940 -3.716 1.00 0.00 C ATOM 4 O ASN A 84 -12.721 -13.855 -4.291 1.00 0.00 O ATOM 5 CB ASN A 84 -13.820 -14.036 -1.662 1.00 0.00 C ATOM 6 CG ASN A 84 -12.455 -13.854 -0.988 1.00 0.00 C ATOM 7 OD1 ASN A 84 -11.711 -14.816 -0.772 1.00 0.00 O ATOM 8 ND2 ASN A 84 -12.118 -12.641 -0.663 1.00 0.00 N ATOM 0 HA ASN A 84 -14.812 -15.261 -3.159 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.092 -13.113 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.577 -14.211 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.218 -12.464 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.754 -11.867 -0.854 1.00 0.00 H new ATOM 17 N THR A 85 -11.898 -15.949 -3.986 1.00 0.00 N ATOM 18 CA THR A 85 -10.722 -15.828 -4.858 1.00 0.00 C ATOM 19 C THR A 85 -9.800 -14.689 -4.370 1.00 0.00 C ATOM 20 O THR A 85 -9.954 -14.201 -3.243 1.00 0.00 O ATOM 21 CB THR A 85 -11.091 -15.657 -6.370 1.00 0.00 C ATOM 22 OG1 THR A 85 -11.781 -14.419 -6.619 1.00 0.00 O ATOM 23 CG2 THR A 85 -11.952 -16.813 -6.854 1.00 0.00 C ATOM 0 H THR A 85 -12.009 -16.884 -3.593 1.00 0.00 H new ATOM 0 HA THR A 85 -10.180 -16.771 -4.789 1.00 0.00 H new ATOM 0 HB THR A 85 -10.150 -15.646 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.968 -13.972 -5.767 1.00 0.00 H new ATOM 0 HG21 THR A 85 -12.194 -16.670 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.407 -17.749 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.873 -16.850 -6.272 1.00 0.00 H new ATOM 31 N ALA A 86 -8.845 -14.288 -5.171 1.00 0.00 N ATOM 32 CA ALA A 86 -7.988 -13.187 -4.797 1.00 0.00 C ATOM 33 C ALA A 86 -8.574 -11.883 -5.318 1.00 0.00 C ATOM 34 O ALA A 86 -8.100 -10.781 -4.990 1.00 0.00 O ATOM 35 CB ALA A 86 -6.583 -13.398 -5.321 1.00 0.00 C ATOM 0 H ALA A 86 -8.641 -14.703 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.930 -13.136 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.955 -12.557 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.174 -14.319 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.607 -13.471 -6.408 1.00 0.00 H new ATOM 41 N ALA A 87 -9.605 -12.000 -6.137 1.00 0.00 N ATOM 42 CA ALA A 87 -10.271 -10.846 -6.691 1.00 0.00 C ATOM 43 C ALA A 87 -11.283 -10.279 -5.721 1.00 0.00 C ATOM 44 O ALA A 87 -12.470 -10.618 -5.742 1.00 0.00 O ATOM 45 CB ALA A 87 -10.906 -11.141 -8.022 1.00 0.00 C ATOM 0 H ALA A 87 -9.998 -12.894 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.504 -10.090 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.395 -10.243 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.139 -11.460 -8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.645 -11.934 -7.905 1.00 0.00 H new ATOM 51 N SER A 88 -10.756 -9.534 -4.810 1.00 0.00 N ATOM 52 CA SER A 88 -11.475 -8.777 -3.793 1.00 0.00 C ATOM 53 C SER A 88 -10.494 -7.768 -3.224 1.00 0.00 C ATOM 54 O SER A 88 -10.722 -7.156 -2.176 1.00 0.00 O ATOM 55 CB SER A 88 -11.961 -9.696 -2.651 1.00 0.00 C ATOM 56 OG SER A 88 -12.905 -10.664 -3.098 1.00 0.00 O ATOM 0 H SER A 88 -9.746 -9.417 -4.735 1.00 0.00 H new ATOM 0 HA SER A 88 -12.350 -8.300 -4.235 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.105 -10.205 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.411 -9.088 -1.866 1.00 0.00 H new ATOM 0 HG SER A 88 -13.110 -10.509 -4.044 1.00 0.00 H new ATOM 62 N LEU A 89 -9.445 -7.520 -3.990 1.00 0.00 N ATOM 63 CA LEU A 89 -8.302 -6.788 -3.534 1.00 0.00 C ATOM 64 C LEU A 89 -8.503 -5.314 -3.846 1.00 0.00 C ATOM 65 O LEU A 89 -7.858 -4.724 -4.711 1.00 0.00 O ATOM 66 CB LEU A 89 -7.019 -7.395 -4.157 1.00 0.00 C ATOM 67 CG LEU A 89 -5.675 -7.131 -3.441 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.641 -8.125 -3.909 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.162 -5.736 -3.704 1.00 0.00 C ATOM 0 H LEU A 89 -9.374 -7.831 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.182 -6.866 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.157 -8.474 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.934 -7.022 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.851 -7.238 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.696 -7.934 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.978 -9.136 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.501 -8.025 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.216 -5.592 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.011 -5.600 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.889 -5.007 -3.345 1.00 0.00 H new ATOM 81 N GLN A 90 -9.517 -4.791 -3.218 1.00 0.00 N ATOM 82 CA GLN A 90 -9.905 -3.392 -3.324 1.00 0.00 C ATOM 83 C GLN A 90 -10.379 -2.861 -1.968 1.00 0.00 C ATOM 84 O GLN A 90 -10.752 -1.697 -1.836 1.00 0.00 O ATOM 85 CB GLN A 90 -11.050 -3.257 -4.332 1.00 0.00 C ATOM 86 CG GLN A 90 -12.285 -4.084 -3.958 1.00 0.00 C ATOM 87 CD GLN A 90 -13.444 -3.941 -4.925 1.00 0.00 C ATOM 88 OE1 GLN A 90 -14.221 -4.874 -5.109 1.00 0.00 O ATOM 89 NE2 GLN A 90 -13.595 -2.788 -5.522 1.00 0.00 N ATOM 0 H GLN A 90 -10.121 -5.331 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.040 -2.816 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.334 -2.208 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.698 -3.567 -5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.001 -5.135 -3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.618 -3.789 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.932 -2.033 -5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.376 -2.644 -6.162 1.00 0.00 H new ATOM 98 N GLN A 91 -10.371 -3.709 -0.973 1.00 0.00 N ATOM 99 CA GLN A 91 -10.900 -3.349 0.331 1.00 0.00 C ATOM 100 C GLN A 91 -9.881 -3.611 1.427 1.00 0.00 C ATOM 101 O GLN A 91 -9.496 -4.748 1.684 1.00 0.00 O ATOM 102 CB GLN A 91 -12.229 -4.076 0.596 1.00 0.00 C ATOM 103 CG GLN A 91 -12.162 -5.586 0.445 1.00 0.00 C ATOM 104 CD GLN A 91 -13.480 -6.271 0.705 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.309 -5.803 1.489 1.00 0.00 O ATOM 106 NE2 GLN A 91 -13.687 -7.380 0.060 1.00 0.00 N ATOM 0 H GLN A 91 -10.004 -4.659 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.105 -2.278 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.563 -3.839 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.983 -3.688 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.827 -5.829 -0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.414 -5.980 1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.978 -7.737 -0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -14.558 -7.893 0.195 1.00 0.00 H new ATOM 115 N TRP A 92 -9.426 -2.564 2.033 1.00 0.00 N ATOM 116 CA TRP A 92 -8.416 -2.644 3.060 1.00 0.00 C ATOM 117 C TRP A 92 -8.875 -1.844 4.263 1.00 0.00 C ATOM 118 O TRP A 92 -9.829 -1.063 4.148 1.00 0.00 O ATOM 119 CB TRP A 92 -7.099 -2.073 2.540 1.00 0.00 C ATOM 120 CG TRP A 92 -6.514 -2.789 1.352 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.809 -2.576 0.033 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.509 -3.811 1.377 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.058 -3.408 -0.755 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.250 -4.174 0.045 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.804 -4.453 2.399 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.315 -5.150 -0.292 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.876 -5.419 2.061 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.639 -5.758 0.723 1.00 0.00 C ATOM 0 H TRP A 92 -9.742 -1.615 1.834 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.263 -3.686 3.342 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.255 -1.028 2.273 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.369 -2.090 3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.528 -1.858 -0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.094 -3.451 -1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.981 -4.199 3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.132 -5.416 -1.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.324 -5.921 2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.906 -6.516 0.491 1.00 0.00 H new ATOM 139 N LYS A 93 -8.252 -2.056 5.409 1.00 0.00 N ATOM 140 CA LYS A 93 -8.572 -1.275 6.593 1.00 0.00 C ATOM 141 C LYS A 93 -7.298 -0.648 7.150 1.00 0.00 C ATOM 142 O LYS A 93 -6.191 -1.148 6.910 1.00 0.00 O ATOM 143 CB LYS A 93 -9.248 -2.127 7.674 1.00 0.00 C ATOM 144 CG LYS A 93 -8.321 -3.089 8.382 1.00 0.00 C ATOM 145 CD LYS A 93 -9.103 -3.979 9.346 1.00 0.00 C ATOM 146 CE LYS A 93 -8.226 -5.012 10.035 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.094 -4.399 10.762 1.00 0.00 N ATOM 0 H LYS A 93 -7.525 -2.758 5.546 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.275 -0.495 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.698 -1.464 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.060 -2.693 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.801 -3.706 7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.560 -2.533 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.584 -3.356 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.897 -4.489 8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.831 -5.590 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.841 -5.711 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.996 -4.848 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.218 -4.535 10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.270 -3.381 10.885 1.00 0.00 H new ATOM 161 N VAL A 94 -7.452 0.431 7.867 1.00 0.00 N ATOM 162 CA VAL A 94 -6.341 1.123 8.489 1.00 0.00 C ATOM 163 C VAL A 94 -5.680 0.221 9.527 1.00 0.00 C ATOM 164 O VAL A 94 -6.355 -0.368 10.371 1.00 0.00 O ATOM 165 CB VAL A 94 -6.805 2.450 9.158 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.664 3.136 9.887 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.406 3.386 8.125 1.00 0.00 C ATOM 0 H VAL A 94 -8.359 0.864 8.042 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.619 1.370 7.711 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.569 2.198 9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.025 4.059 10.341 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.279 2.475 10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.867 3.367 9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.725 4.308 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.660 3.616 7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.266 2.907 7.657 1.00 0.00 H new ATOM 177 N GLY A 95 -4.384 0.077 9.422 1.00 0.00 N ATOM 178 CA GLY A 95 -3.646 -0.722 10.362 1.00 0.00 C ATOM 179 C GLY A 95 -3.283 -2.061 9.796 1.00 0.00 C ATOM 180 O GLY A 95 -2.599 -2.852 10.440 1.00 0.00 O ATOM 0 H GLY A 95 -3.817 0.506 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.738 -0.193 10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.239 -0.859 11.266 1.00 0.00 H new ATOM 184 N ASP A 96 -3.706 -2.308 8.585 1.00 0.00 N ATOM 185 CA ASP A 96 -3.453 -3.583 7.954 1.00 0.00 C ATOM 186 C ASP A 96 -2.218 -3.492 7.135 1.00 0.00 C ATOM 187 O ASP A 96 -1.896 -2.424 6.603 1.00 0.00 O ATOM 188 CB ASP A 96 -4.614 -4.004 7.071 1.00 0.00 C ATOM 189 CG ASP A 96 -5.179 -5.340 7.463 1.00 0.00 C ATOM 190 OD1 ASP A 96 -5.468 -5.545 8.663 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.345 -6.216 6.582 1.00 0.00 O ATOM 0 H ASP A 96 -4.228 -1.645 8.012 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.332 -4.332 8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.400 -3.251 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.282 -4.044 6.034 1.00 0.00 H new ATOM 196 N LYS A 97 -1.495 -4.556 7.070 1.00 0.00 N ATOM 197 CA LYS A 97 -0.313 -4.590 6.284 1.00 0.00 C ATOM 198 C LYS A 97 -0.622 -4.963 4.860 1.00 0.00 C ATOM 199 O LYS A 97 -1.571 -5.711 4.586 1.00 0.00 O ATOM 200 CB LYS A 97 0.624 -5.557 6.892 1.00 0.00 C ATOM 201 CG LYS A 97 0.930 -5.191 8.326 1.00 0.00 C ATOM 202 CD LYS A 97 1.656 -6.281 9.017 1.00 0.00 C ATOM 203 CE LYS A 97 3.026 -6.492 8.415 1.00 0.00 C ATOM 204 NZ LYS A 97 3.812 -7.512 9.142 1.00 0.00 N ATOM 0 H LYS A 97 -1.707 -5.425 7.560 1.00 0.00 H new ATOM 0 HA LYS A 97 0.142 -3.600 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.194 -6.558 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.548 -5.584 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.528 -4.280 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.001 -4.977 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.754 -6.042 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.080 -7.204 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.919 -6.795 7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.570 -5.548 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.743 -7.620 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.939 -7.213 10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.308 -8.421 9.117 1.00 0.00 H new ATOM 218 N CYS A 98 0.181 -4.457 3.974 1.00 0.00 N ATOM 219 CA CYS A 98 0.017 -4.653 2.572 1.00 0.00 C ATOM 220 C CYS A 98 1.368 -4.452 1.890 1.00 0.00 C ATOM 221 O CYS A 98 2.415 -4.431 2.549 1.00 0.00 O ATOM 222 CB CYS A 98 -0.991 -3.625 2.050 1.00 0.00 C ATOM 223 SG CYS A 98 -0.509 -1.924 2.393 1.00 0.00 S ATOM 0 H CYS A 98 0.988 -3.882 4.216 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.348 -5.658 2.362 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.107 -3.753 0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.964 -3.818 2.501 1.00 0.00 H new ATOM 0 HG CYS A 98 0.502 -1.916 3.211 1.00 0.00 H new ATOM 229 N SER A 99 1.341 -4.360 0.618 1.00 0.00 N ATOM 230 CA SER A 99 2.490 -4.024 -0.163 1.00 0.00 C ATOM 231 C SER A 99 2.125 -2.915 -1.097 1.00 0.00 C ATOM 232 O SER A 99 0.956 -2.791 -1.497 1.00 0.00 O ATOM 233 CB SER A 99 3.009 -5.230 -0.918 1.00 0.00 C ATOM 234 OG SER A 99 3.489 -6.208 -0.027 1.00 0.00 O ATOM 0 H SER A 99 0.500 -4.519 0.064 1.00 0.00 H new ATOM 0 HA SER A 99 3.294 -3.694 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.213 -5.650 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.807 -4.925 -1.595 1.00 0.00 H new ATOM 0 HG SER A 99 3.217 -7.096 -0.339 1.00 0.00 H new ATOM 240 N ALA A 100 3.075 -2.099 -1.406 1.00 0.00 N ATOM 241 CA ALA A 100 2.854 -0.977 -2.248 1.00 0.00 C ATOM 242 C ALA A 100 3.996 -0.835 -3.211 1.00 0.00 C ATOM 243 O ALA A 100 5.079 -1.406 -2.999 1.00 0.00 O ATOM 244 CB ALA A 100 2.696 0.277 -1.417 1.00 0.00 C ATOM 0 H ALA A 100 4.036 -2.195 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 100 1.935 -1.128 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.527 1.130 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.846 0.163 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.601 0.443 -0.833 1.00 0.00 H new ATOM 250 N ILE A 101 3.749 -0.126 -4.264 1.00 0.00 N ATOM 251 CA ILE A 101 4.732 0.150 -5.262 1.00 0.00 C ATOM 252 C ILE A 101 5.373 1.465 -4.949 1.00 0.00 C ATOM 253 O ILE A 101 4.732 2.517 -5.056 1.00 0.00 O ATOM 254 CB ILE A 101 4.097 0.186 -6.676 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.695 -1.221 -7.112 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.024 0.839 -7.715 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.843 -2.098 -7.547 1.00 0.00 C ATOM 0 H ILE A 101 2.837 0.287 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 101 5.480 -0.642 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 101 3.203 0.807 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.176 -1.708 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.984 -1.143 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.535 0.841 -8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.240 1.865 -7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.955 0.275 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.463 -3.077 -7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.351 -1.639 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.546 -2.213 -6.722 1.00 0.00 H new ATOM 269 N TRP A 102 6.610 1.412 -4.552 1.00 0.00 N ATOM 270 CA TRP A 102 7.340 2.601 -4.227 1.00 0.00 C ATOM 271 C TRP A 102 7.556 3.351 -5.476 1.00 0.00 C ATOM 272 O TRP A 102 8.137 2.827 -6.407 1.00 0.00 O ATOM 273 CB TRP A 102 8.669 2.258 -3.619 1.00 0.00 C ATOM 274 CG TRP A 102 9.295 3.383 -2.868 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.657 4.394 -2.218 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.678 3.588 -2.662 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.573 5.203 -1.605 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.822 4.728 -1.863 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.807 2.919 -3.073 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.059 5.201 -1.471 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.025 3.397 -2.687 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.140 4.527 -1.891 1.00 0.00 C ATOM 0 H TRP A 102 7.140 0.547 -4.445 1.00 0.00 H new ATOM 0 HA TRP A 102 6.777 3.193 -3.505 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.542 1.410 -2.946 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.348 1.939 -4.409 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.587 4.536 -2.190 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.356 6.028 -1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.731 2.034 -3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.152 6.080 -0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.920 2.884 -3.008 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.122 4.872 -1.603 1.00 0.00 H new ATOM 293 N SER A 103 7.135 4.566 -5.485 1.00 0.00 N ATOM 294 CA SER A 103 7.192 5.396 -6.641 1.00 0.00 C ATOM 295 C SER A 103 8.620 5.684 -7.087 1.00 0.00 C ATOM 296 O SER A 103 8.864 6.088 -8.213 1.00 0.00 O ATOM 297 CB SER A 103 6.499 6.662 -6.304 1.00 0.00 C ATOM 298 OG SER A 103 5.110 6.450 -6.086 1.00 0.00 O ATOM 0 H SER A 103 6.730 5.024 -4.669 1.00 0.00 H new ATOM 0 HA SER A 103 6.712 4.882 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.947 7.097 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.637 7.380 -7.112 1.00 0.00 H new ATOM 0 HG SER A 103 4.834 6.907 -5.264 1.00 0.00 H new ATOM 304 N GLU A 104 9.539 5.470 -6.200 1.00 0.00 N ATOM 305 CA GLU A 104 10.921 5.751 -6.451 1.00 0.00 C ATOM 306 C GLU A 104 11.632 4.621 -7.185 1.00 0.00 C ATOM 307 O GLU A 104 12.421 4.876 -8.102 1.00 0.00 O ATOM 308 CB GLU A 104 11.541 6.038 -5.141 1.00 0.00 C ATOM 309 CG GLU A 104 10.810 7.158 -4.455 1.00 0.00 C ATOM 310 CD GLU A 104 11.204 8.518 -4.962 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.631 8.983 -5.967 1.00 0.00 O ATOM 312 OE2 GLU A 104 12.097 9.149 -4.384 1.00 0.00 O ATOM 0 H GLU A 104 9.352 5.092 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 104 11.011 6.607 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.520 5.144 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.588 6.307 -5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.737 7.022 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.002 7.107 -3.383 1.00 0.00 H new ATOM 319 N ASP A 105 11.364 3.381 -6.806 1.00 0.00 N ATOM 320 CA ASP A 105 12.000 2.254 -7.512 1.00 0.00 C ATOM 321 C ASP A 105 11.030 1.555 -8.430 1.00 0.00 C ATOM 322 O ASP A 105 11.429 0.764 -9.282 1.00 0.00 O ATOM 323 CB ASP A 105 12.627 1.210 -6.561 1.00 0.00 C ATOM 324 CG ASP A 105 13.929 1.642 -5.919 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.800 2.182 -6.614 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.127 1.386 -4.707 1.00 0.00 O ATOM 0 H ASP A 105 10.736 3.123 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 105 12.804 2.704 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.909 0.977 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.800 0.289 -7.117 1.00 0.00 H new ATOM 331 N GLY A 106 9.751 1.824 -8.242 1.00 0.00 N ATOM 332 CA GLY A 106 8.699 1.180 -9.041 1.00 0.00 C ATOM 333 C GLY A 106 8.470 -0.258 -8.596 1.00 0.00 C ATOM 334 O GLY A 106 7.672 -0.994 -9.170 1.00 0.00 O ATOM 0 H GLY A 106 9.405 2.483 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.771 1.744 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.977 1.197 -10.095 1.00 0.00 H new ATOM 338 N CYS A 107 9.196 -0.639 -7.588 1.00 0.00 N ATOM 339 CA CYS A 107 9.209 -1.944 -7.064 1.00 0.00 C ATOM 340 C CYS A 107 8.184 -2.131 -5.957 1.00 0.00 C ATOM 341 O CYS A 107 7.669 -1.154 -5.398 1.00 0.00 O ATOM 342 CB CYS A 107 10.595 -2.193 -6.572 1.00 0.00 C ATOM 343 SG CYS A 107 11.839 -2.223 -7.864 1.00 0.00 S ATOM 0 H CYS A 107 9.823 -0.004 -7.094 1.00 0.00 H new ATOM 0 HA CYS A 107 8.932 -2.662 -7.836 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.856 -1.420 -5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.615 -3.145 -6.042 1.00 0.00 H new ATOM 0 HG CYS A 107 11.805 -1.104 -8.525 1.00 0.00 H new ATOM 349 N ILE A 108 7.922 -3.375 -5.633 1.00 0.00 N ATOM 350 CA ILE A 108 6.982 -3.734 -4.604 1.00 0.00 C ATOM 351 C ILE A 108 7.697 -3.848 -3.287 1.00 0.00 C ATOM 352 O ILE A 108 8.732 -4.501 -3.198 1.00 0.00 O ATOM 353 CB ILE A 108 6.350 -5.090 -4.882 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.836 -5.137 -6.308 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.231 -5.319 -3.883 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.144 -6.431 -6.698 1.00 0.00 C ATOM 0 H ILE A 108 8.363 -4.176 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 108 6.214 -2.961 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 108 7.089 -5.883 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.139 -4.312 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.673 -4.972 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.769 -6.288 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.637 -5.300 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.483 -4.533 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.812 -6.368 -7.734 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.840 -7.263 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.282 -6.592 -6.050 1.00 0.00 H new ATOM 368 N TYR A 109 7.160 -3.232 -2.287 1.00 0.00 N ATOM 369 CA TYR A 109 7.737 -3.266 -0.970 1.00 0.00 C ATOM 370 C TYR A 109 6.641 -3.360 0.074 1.00 0.00 C ATOM 371 O TYR A 109 5.513 -2.917 -0.177 1.00 0.00 O ATOM 372 CB TYR A 109 8.554 -2.021 -0.718 1.00 0.00 C ATOM 373 CG TYR A 109 9.748 -1.823 -1.626 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.986 -2.347 -1.301 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.642 -1.059 -2.774 1.00 0.00 C ATOM 376 CE1 TYR A 109 12.088 -2.108 -2.095 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.731 -0.821 -3.574 1.00 0.00 C ATOM 378 CZ TYR A 109 11.957 -1.339 -3.231 1.00 0.00 C ATOM 379 OH TYR A 109 13.062 -1.093 -4.034 1.00 0.00 O ATOM 0 H TYR A 109 6.302 -2.685 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 109 8.385 -4.140 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.900 -1.154 -0.814 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.905 -2.042 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.091 -2.952 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.684 -0.642 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.049 -2.522 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.625 -0.228 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 109 13.219 -0.127 -4.087 1.00 0.00 H new ATOM 389 N PRO A 110 6.939 -3.952 1.240 1.00 0.00 N ATOM 390 CA PRO A 110 5.972 -4.079 2.332 1.00 0.00 C ATOM 391 C PRO A 110 5.636 -2.727 2.965 1.00 0.00 C ATOM 392 O PRO A 110 6.526 -1.913 3.255 1.00 0.00 O ATOM 393 CB PRO A 110 6.694 -4.960 3.351 1.00 0.00 C ATOM 394 CG PRO A 110 8.142 -4.764 3.070 1.00 0.00 C ATOM 395 CD PRO A 110 8.248 -4.546 1.594 1.00 0.00 C ATOM 0 HA PRO A 110 5.023 -4.488 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.447 -4.668 4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.408 -6.006 3.241 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.534 -3.909 3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.721 -5.634 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.073 -3.878 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.422 -5.481 1.061 1.00 0.00 H new ATOM 403 N ALA A 111 4.374 -2.494 3.192 1.00 0.00 N ATOM 404 CA ALA A 111 3.921 -1.267 3.775 1.00 0.00 C ATOM 405 C ALA A 111 2.701 -1.521 4.626 1.00 0.00 C ATOM 406 O ALA A 111 2.003 -2.498 4.435 1.00 0.00 O ATOM 407 CB ALA A 111 3.610 -0.259 2.691 1.00 0.00 C ATOM 0 H ALA A 111 3.628 -3.155 2.976 1.00 0.00 H new ATOM 0 HA ALA A 111 4.710 -0.861 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.266 0.670 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.509 -0.066 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.830 -0.654 2.040 1.00 0.00 H new ATOM 413 N THR A 112 2.442 -0.666 5.547 1.00 0.00 N ATOM 414 CA THR A 112 1.300 -0.830 6.396 1.00 0.00 C ATOM 415 C THR A 112 0.398 0.393 6.264 1.00 0.00 C ATOM 416 O THR A 112 0.884 1.532 6.257 1.00 0.00 O ATOM 417 CB THR A 112 1.739 -1.053 7.859 1.00 0.00 C ATOM 418 OG1 THR A 112 2.734 -2.095 7.881 1.00 0.00 O ATOM 419 CG2 THR A 112 0.569 -1.514 8.708 1.00 0.00 C ATOM 0 H THR A 112 3.004 0.163 5.740 1.00 0.00 H new ATOM 0 HA THR A 112 0.739 -1.713 6.089 1.00 0.00 H new ATOM 0 HB THR A 112 2.127 -0.115 8.256 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.581 -1.746 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.902 -1.665 9.735 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.215 -0.757 8.688 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.179 -2.451 8.312 1.00 0.00 H new ATOM 427 N ILE A 113 -0.885 0.151 6.148 1.00 0.00 N ATOM 428 CA ILE A 113 -1.878 1.185 5.930 1.00 0.00 C ATOM 429 C ILE A 113 -1.997 2.099 7.138 1.00 0.00 C ATOM 430 O ILE A 113 -2.355 1.656 8.234 1.00 0.00 O ATOM 431 CB ILE A 113 -3.236 0.545 5.637 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.097 -0.417 4.466 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.268 1.619 5.315 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.244 -1.360 4.336 1.00 0.00 C ATOM 0 H ILE A 113 -1.280 -0.788 6.203 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.560 1.785 5.077 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.573 -0.003 6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.001 0.156 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.177 -0.989 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.230 1.149 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.369 2.293 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.945 2.184 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.080 -2.017 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.328 -1.959 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.164 -0.795 4.188 1.00 0.00 H new ATOM 446 N ALA A 114 -1.710 3.353 6.929 1.00 0.00 N ATOM 447 CA ALA A 114 -1.756 4.338 7.978 1.00 0.00 C ATOM 448 C ALA A 114 -3.104 5.045 7.991 1.00 0.00 C ATOM 449 O ALA A 114 -3.636 5.349 9.043 1.00 0.00 O ATOM 450 CB ALA A 114 -0.630 5.343 7.811 1.00 0.00 C ATOM 0 H ALA A 114 -1.435 3.725 6.020 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.627 3.829 8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.679 6.081 8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.329 4.826 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.730 5.845 6.849 1.00 0.00 H new ATOM 456 N SER A 115 -3.651 5.306 6.822 1.00 0.00 N ATOM 457 CA SER A 115 -4.939 5.961 6.716 1.00 0.00 C ATOM 458 C SER A 115 -5.541 5.642 5.362 1.00 0.00 C ATOM 459 O SER A 115 -4.802 5.373 4.423 1.00 0.00 O ATOM 460 CB SER A 115 -4.760 7.479 6.873 1.00 0.00 C ATOM 461 OG SER A 115 -3.842 7.985 5.897 1.00 0.00 O ATOM 0 H SER A 115 -3.221 5.073 5.927 1.00 0.00 H new ATOM 0 HA SER A 115 -5.605 5.605 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.724 7.977 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.395 7.705 7.875 1.00 0.00 H new ATOM 0 HG SER A 115 -3.743 8.953 6.012 1.00 0.00 H new ATOM 467 N ILE A 116 -6.849 5.641 5.263 1.00 0.00 N ATOM 468 CA ILE A 116 -7.525 5.389 4.008 1.00 0.00 C ATOM 469 C ILE A 116 -8.491 6.517 3.709 1.00 0.00 C ATOM 470 O ILE A 116 -9.290 6.899 4.563 1.00 0.00 O ATOM 471 CB ILE A 116 -8.327 4.061 4.049 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.412 2.886 4.365 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.069 3.828 2.732 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.123 1.574 4.455 1.00 0.00 C ATOM 0 H ILE A 116 -7.476 5.814 6.048 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.761 5.319 3.234 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.068 4.141 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.643 2.820 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.903 3.078 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.623 2.891 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.763 4.650 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.351 3.777 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.405 0.786 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.874 1.620 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.609 1.358 3.504 1.00 0.00 H new ATOM 486 N ASP A 117 -8.409 7.052 2.524 1.00 0.00 N ATOM 487 CA ASP A 117 -9.336 8.051 2.079 1.00 0.00 C ATOM 488 C ASP A 117 -10.207 7.416 1.041 1.00 0.00 C ATOM 489 O ASP A 117 -9.808 7.269 -0.116 1.00 0.00 O ATOM 490 CB ASP A 117 -8.649 9.274 1.491 1.00 0.00 C ATOM 491 CG ASP A 117 -9.632 10.399 1.256 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.317 10.439 0.216 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.754 11.278 2.127 1.00 0.00 O ATOM 0 H ASP A 117 -7.695 6.806 1.838 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.910 8.404 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.862 9.611 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.168 9.006 0.550 1.00 0.00 H new ATOM 498 N PHE A 118 -11.375 7.020 1.439 1.00 0.00 N ATOM 499 CA PHE A 118 -12.284 6.305 0.575 1.00 0.00 C ATOM 500 C PHE A 118 -12.798 7.177 -0.569 1.00 0.00 C ATOM 501 O PHE A 118 -13.211 6.659 -1.612 1.00 0.00 O ATOM 502 CB PHE A 118 -13.443 5.715 1.374 1.00 0.00 C ATOM 503 CG PHE A 118 -13.041 4.662 2.379 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.837 3.351 1.979 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.882 4.979 3.720 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.481 2.376 2.894 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.526 4.010 4.639 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.324 2.707 4.226 1.00 0.00 C ATOM 0 H PHE A 118 -11.735 7.181 2.380 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.722 5.486 0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.954 6.523 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.162 5.280 0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.958 3.087 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.038 5.995 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.326 1.358 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.406 4.271 5.680 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.044 1.949 4.943 1.00 0.00 H new ATOM 518 N LYS A 119 -12.720 8.493 -0.400 1.00 0.00 N ATOM 519 CA LYS A 119 -13.191 9.416 -1.429 1.00 0.00 C ATOM 520 C LYS A 119 -12.248 9.411 -2.618 1.00 0.00 C ATOM 521 O LYS A 119 -12.684 9.422 -3.766 1.00 0.00 O ATOM 522 CB LYS A 119 -13.397 10.867 -0.914 1.00 0.00 C ATOM 523 CG LYS A 119 -14.482 11.038 0.160 1.00 0.00 C ATOM 524 CD LYS A 119 -14.004 10.695 1.572 1.00 0.00 C ATOM 525 CE LYS A 119 -13.333 11.886 2.287 1.00 0.00 C ATOM 526 NZ LYS A 119 -12.132 12.421 1.599 1.00 0.00 N ATOM 0 H LYS A 119 -12.339 8.943 0.432 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.173 9.054 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.451 11.229 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.647 11.504 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.837 12.069 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.333 10.405 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.853 10.354 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.299 9.866 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.063 12.688 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.052 11.577 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.715 13.183 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.434 11.660 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.404 12.796 0.668 1.00 0.00 H new ATOM 540 N ARG A 120 -10.951 9.363 -2.345 1.00 0.00 N ATOM 541 CA ARG A 120 -9.967 9.308 -3.421 1.00 0.00 C ATOM 542 C ARG A 120 -9.666 7.876 -3.773 1.00 0.00 C ATOM 543 O ARG A 120 -8.989 7.600 -4.775 1.00 0.00 O ATOM 544 CB ARG A 120 -8.677 9.998 -3.000 1.00 0.00 C ATOM 545 CG ARG A 120 -8.831 11.462 -2.681 1.00 0.00 C ATOM 546 CD ARG A 120 -9.270 12.242 -3.895 1.00 0.00 C ATOM 547 NE ARG A 120 -9.386 13.676 -3.626 1.00 0.00 N ATOM 548 CZ ARG A 120 -9.596 14.603 -4.560 1.00 0.00 C ATOM 549 NH1 ARG A 120 -9.734 14.249 -5.835 1.00 0.00 N ATOM 550 NH2 ARG A 120 -9.675 15.882 -4.216 1.00 0.00 N ATOM 0 H ARG A 120 -10.559 9.361 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.382 9.820 -4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.275 9.488 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.943 9.888 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.561 11.588 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.884 11.858 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.556 12.083 -4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.231 11.861 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.300 13.987 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.679 13.266 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.895 14.961 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.575 16.154 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.836 16.593 -4.929 1.00 0.00 H new ATOM 564 N GLU A 121 -10.209 6.964 -2.947 1.00 0.00 N ATOM 565 CA GLU A 121 -10.051 5.515 -3.081 1.00 0.00 C ATOM 566 C GLU A 121 -8.584 5.153 -2.864 1.00 0.00 C ATOM 567 O GLU A 121 -8.081 4.120 -3.339 1.00 0.00 O ATOM 568 CB GLU A 121 -10.544 5.056 -4.452 1.00 0.00 C ATOM 569 CG GLU A 121 -11.928 5.588 -4.795 1.00 0.00 C ATOM 570 CD GLU A 121 -12.356 5.211 -6.166 1.00 0.00 C ATOM 571 OE1 GLU A 121 -11.726 5.673 -7.145 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.311 4.428 -6.306 1.00 0.00 O ATOM 0 H GLU A 121 -10.785 7.228 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.652 5.003 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -9.836 5.382 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.563 3.966 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.650 5.205 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.930 6.674 -4.703 1.00 0.00 H new ATOM 579 N THR A 122 -7.915 5.985 -2.107 1.00 0.00 N ATOM 580 CA THR A 122 -6.528 5.813 -1.852 1.00 0.00 C ATOM 581 C THR A 122 -6.277 5.665 -0.364 1.00 0.00 C ATOM 582 O THR A 122 -7.169 5.870 0.447 1.00 0.00 O ATOM 583 CB THR A 122 -5.708 7.001 -2.389 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.179 8.235 -1.808 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.784 7.097 -3.905 1.00 0.00 C ATOM 0 H THR A 122 -8.328 6.800 -1.654 1.00 0.00 H new ATOM 0 HA THR A 122 -6.211 4.907 -2.369 1.00 0.00 H new ATOM 0 HB THR A 122 -4.668 6.833 -2.108 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.650 8.983 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.193 7.947 -4.246 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.392 6.181 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.822 7.231 -4.209 1.00 0.00 H new ATOM 593 N CYS A 123 -5.094 5.293 -0.022 1.00 0.00 N ATOM 594 CA CYS A 123 -4.687 5.154 1.332 1.00 0.00 C ATOM 595 C CYS A 123 -3.217 5.470 1.454 1.00 0.00 C ATOM 596 O CYS A 123 -2.452 5.270 0.510 1.00 0.00 O ATOM 597 CB CYS A 123 -4.965 3.743 1.803 1.00 0.00 C ATOM 598 SG CYS A 123 -4.311 2.488 0.697 1.00 0.00 S ATOM 0 H CYS A 123 -4.361 5.071 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.248 5.850 1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.533 3.606 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.042 3.605 1.903 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.964 3.039 -0.428 1.00 0.00 H new ATOM 604 N VAL A 124 -2.823 5.942 2.587 1.00 0.00 N ATOM 605 CA VAL A 124 -1.450 6.226 2.842 1.00 0.00 C ATOM 606 C VAL A 124 -0.874 5.040 3.551 1.00 0.00 C ATOM 607 O VAL A 124 -1.476 4.529 4.500 1.00 0.00 O ATOM 608 CB VAL A 124 -1.263 7.498 3.708 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.209 7.728 4.021 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.838 8.713 3.001 1.00 0.00 C ATOM 0 H VAL A 124 -3.447 6.143 3.368 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.942 6.415 1.896 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.799 7.349 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.316 8.626 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.603 6.871 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.764 7.852 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.698 9.597 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.327 8.855 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.902 8.560 2.822 1.00 0.00 H new ATOM 620 N VAL A 125 0.253 4.591 3.102 1.00 0.00 N ATOM 621 CA VAL A 125 0.886 3.458 3.683 1.00 0.00 C ATOM 622 C VAL A 125 2.284 3.837 4.119 1.00 0.00 C ATOM 623 O VAL A 125 2.915 4.725 3.534 1.00 0.00 O ATOM 624 CB VAL A 125 0.967 2.253 2.689 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.412 1.811 2.214 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.874 2.567 1.503 1.00 0.00 C ATOM 0 H VAL A 125 0.760 5.003 2.319 1.00 0.00 H new ATOM 0 HA VAL A 125 0.286 3.145 4.537 1.00 0.00 H new ATOM 0 HB VAL A 125 1.406 1.421 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.308 0.972 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.011 1.505 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.904 2.639 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.907 1.708 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.484 3.432 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.880 2.786 1.862 1.00 0.00 H new ATOM 636 N VAL A 126 2.727 3.213 5.156 1.00 0.00 N ATOM 637 CA VAL A 126 4.045 3.402 5.673 1.00 0.00 C ATOM 638 C VAL A 126 4.857 2.190 5.332 1.00 0.00 C ATOM 639 O VAL A 126 4.489 1.081 5.706 1.00 0.00 O ATOM 640 CB VAL A 126 4.047 3.608 7.209 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.473 3.588 7.755 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.359 4.920 7.569 1.00 0.00 C ATOM 0 H VAL A 126 2.171 2.540 5.683 1.00 0.00 H new ATOM 0 HA VAL A 126 4.467 4.302 5.226 1.00 0.00 H new ATOM 0 HB VAL A 126 3.494 2.787 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.451 3.734 8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.936 2.628 7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.051 4.388 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.368 5.051 8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.888 5.749 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.328 4.900 7.215 1.00 0.00 H new ATOM 652 N TYR A 127 5.924 2.395 4.614 1.00 0.00 N ATOM 653 CA TYR A 127 6.791 1.328 4.217 1.00 0.00 C ATOM 654 C TYR A 127 7.486 0.751 5.409 1.00 0.00 C ATOM 655 O TYR A 127 8.289 1.428 6.085 1.00 0.00 O ATOM 656 CB TYR A 127 7.771 1.777 3.164 1.00 0.00 C ATOM 657 CG TYR A 127 7.107 2.111 1.863 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.714 1.098 1.002 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.870 3.425 1.491 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.101 1.380 -0.188 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.259 3.713 0.297 1.00 0.00 C ATOM 662 CZ TYR A 127 5.878 2.684 -0.538 1.00 0.00 C ATOM 663 OH TYR A 127 5.224 2.955 -1.709 1.00 0.00 O ATOM 0 H TYR A 127 6.217 3.315 4.286 1.00 0.00 H new ATOM 0 HA TYR A 127 6.183 0.542 3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.312 2.651 3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.508 0.991 3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.895 0.069 1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.169 4.229 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.795 0.580 -0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.078 4.739 0.013 1.00 0.00 H new ATOM 0 HH TYR A 127 5.299 3.911 -1.912 1.00 0.00 H new ATOM 673 N THR A 128 7.172 -0.476 5.666 1.00 0.00 N ATOM 674 CA THR A 128 7.627 -1.171 6.808 1.00 0.00 C ATOM 675 C THR A 128 9.133 -1.407 6.736 1.00 0.00 C ATOM 676 O THR A 128 9.666 -1.851 5.715 1.00 0.00 O ATOM 677 CB THR A 128 6.856 -2.490 6.909 1.00 0.00 C ATOM 678 OG1 THR A 128 5.443 -2.193 7.011 1.00 0.00 O ATOM 679 CG2 THR A 128 7.308 -3.312 8.101 1.00 0.00 C ATOM 0 H THR A 128 6.570 -1.035 5.061 1.00 0.00 H new ATOM 0 HA THR A 128 7.444 -0.577 7.704 1.00 0.00 H new ATOM 0 HB THR A 128 7.053 -3.083 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 128 4.929 -3.026 6.962 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.738 -4.241 8.140 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.369 -3.541 8.004 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.142 -2.746 9.017 1.00 0.00 H new ATOM 687 N GLY A 129 9.806 -1.055 7.809 1.00 0.00 N ATOM 688 CA GLY A 129 11.229 -1.210 7.895 1.00 0.00 C ATOM 689 C GLY A 129 11.966 0.005 7.383 1.00 0.00 C ATOM 690 O GLY A 129 13.149 0.177 7.653 1.00 0.00 O ATOM 0 H GLY A 129 9.376 -0.654 8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.511 -1.394 8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.533 -2.086 7.322 1.00 0.00 H new ATOM 694 N TYR A 130 11.277 0.858 6.648 1.00 0.00 N ATOM 695 CA TYR A 130 11.907 2.034 6.090 1.00 0.00 C ATOM 696 C TYR A 130 11.402 3.288 6.782 1.00 0.00 C ATOM 697 O TYR A 130 12.178 4.201 7.102 1.00 0.00 O ATOM 698 CB TYR A 130 11.639 2.115 4.604 1.00 0.00 C ATOM 699 CG TYR A 130 12.087 0.904 3.818 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.417 0.720 3.501 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.170 -0.036 3.372 1.00 0.00 C ATOM 702 CE1 TYR A 130 13.825 -0.367 2.760 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.568 -1.127 2.635 1.00 0.00 C ATOM 704 CZ TYR A 130 12.896 -1.286 2.328 1.00 0.00 C ATOM 705 OH TYR A 130 13.309 -2.380 1.591 1.00 0.00 O ATOM 0 H TYR A 130 10.287 0.757 6.426 1.00 0.00 H new ATOM 0 HA TYR A 130 12.982 1.959 6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.570 2.258 4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.140 2.997 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.149 1.439 3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.124 0.091 3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 130 14.870 -0.498 2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 130 10.841 -1.853 2.301 1.00 0.00 H new ATOM 0 HH TYR A 130 12.533 -2.933 1.364 1.00 0.00 H new ATOM 715 N GLY A 131 10.104 3.344 6.996 1.00 0.00 N ATOM 716 CA GLY A 131 9.521 4.451 7.713 1.00 0.00 C ATOM 717 C GLY A 131 8.988 5.554 6.818 1.00 0.00 C ATOM 718 O GLY A 131 8.566 6.593 7.313 1.00 0.00 O ATOM 0 H GLY A 131 9.438 2.638 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.708 4.079 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.271 4.872 8.383 1.00 0.00 H new ATOM 722 N ASN A 132 8.975 5.338 5.512 1.00 0.00 N ATOM 723 CA ASN A 132 8.430 6.364 4.616 1.00 0.00 C ATOM 724 C ASN A 132 6.974 6.155 4.467 1.00 0.00 C ATOM 725 O ASN A 132 6.470 5.069 4.744 1.00 0.00 O ATOM 726 CB ASN A 132 9.047 6.397 3.207 1.00 0.00 C ATOM 727 CG ASN A 132 10.470 6.893 3.140 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.934 7.624 4.002 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.145 6.553 2.077 1.00 0.00 N ATOM 0 H ASN A 132 9.321 4.495 5.054 1.00 0.00 H new ATOM 0 HA ASN A 132 8.677 7.315 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.010 5.392 2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.428 7.030 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.095 6.900 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.723 5.940 1.379 1.00 0.00 H new ATOM 736 N ARG A 133 6.300 7.145 4.001 1.00 0.00 N ATOM 737 CA ARG A 133 4.894 7.055 3.832 1.00 0.00 C ATOM 738 C ARG A 133 4.526 7.592 2.462 1.00 0.00 C ATOM 739 O ARG A 133 5.055 8.619 2.027 1.00 0.00 O ATOM 740 CB ARG A 133 4.156 7.754 5.010 1.00 0.00 C ATOM 741 CG ARG A 133 4.214 9.284 5.061 1.00 0.00 C ATOM 742 CD ARG A 133 3.063 9.891 4.280 1.00 0.00 C ATOM 743 NE ARG A 133 3.022 11.351 4.334 1.00 0.00 N ATOM 744 CZ ARG A 133 1.926 12.088 4.070 1.00 0.00 C ATOM 745 NH1 ARG A 133 0.757 11.489 3.830 1.00 0.00 N ATOM 746 NH2 ARG A 133 1.998 13.413 4.068 1.00 0.00 N ATOM 0 H ARG A 133 6.707 8.039 3.726 1.00 0.00 H new ATOM 0 HA ARG A 133 4.566 6.016 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.108 7.456 4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.567 7.369 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.174 9.620 6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.162 9.631 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.136 9.577 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.124 9.495 4.667 1.00 0.00 H new ATOM 0 HE ARG A 133 3.878 11.843 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.693 10.471 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.072 12.049 3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.885 13.876 4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.166 13.969 3.868 1.00 0.00 H new ATOM 760 N GLU A 134 3.661 6.894 1.793 1.00 0.00 N ATOM 761 CA GLU A 134 3.266 7.211 0.457 1.00 0.00 C ATOM 762 C GLU A 134 1.798 6.876 0.283 1.00 0.00 C ATOM 763 O GLU A 134 1.280 5.988 0.969 1.00 0.00 O ATOM 764 CB GLU A 134 4.181 6.453 -0.527 1.00 0.00 C ATOM 765 CG GLU A 134 3.723 6.428 -1.958 1.00 0.00 C ATOM 766 CD GLU A 134 4.864 6.267 -2.936 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.391 5.160 -3.117 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.241 7.272 -3.561 1.00 0.00 O ATOM 0 H GLU A 134 3.199 6.067 2.171 1.00 0.00 H new ATOM 0 HA GLU A 134 3.379 8.275 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.173 6.902 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.284 5.425 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.016 5.610 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.188 7.352 -2.180 1.00 0.00 H new ATOM 775 N GLU A 135 1.129 7.580 -0.595 1.00 0.00 N ATOM 776 CA GLU A 135 -0.279 7.392 -0.795 1.00 0.00 C ATOM 777 C GLU A 135 -0.513 6.581 -2.049 1.00 0.00 C ATOM 778 O GLU A 135 -0.085 6.951 -3.147 1.00 0.00 O ATOM 779 CB GLU A 135 -0.994 8.727 -0.865 1.00 0.00 C ATOM 780 CG GLU A 135 -2.490 8.608 -1.025 1.00 0.00 C ATOM 781 CD GLU A 135 -3.163 9.935 -1.013 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.131 10.638 -2.037 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.751 10.306 0.019 1.00 0.00 O ATOM 0 H GLU A 135 1.547 8.297 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.688 6.844 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.779 9.292 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.593 9.300 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.714 8.097 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.892 7.991 -0.221 1.00 0.00 H new ATOM 790 N GLN A 136 -1.180 5.484 -1.871 1.00 0.00 N ATOM 791 CA GLN A 136 -1.403 4.511 -2.906 1.00 0.00 C ATOM 792 C GLN A 136 -2.886 4.244 -3.015 1.00 0.00 C ATOM 793 O GLN A 136 -3.628 4.571 -2.117 1.00 0.00 O ATOM 794 CB GLN A 136 -0.694 3.224 -2.518 1.00 0.00 C ATOM 795 CG GLN A 136 0.774 3.417 -2.165 1.00 0.00 C ATOM 796 CD GLN A 136 1.661 3.634 -3.371 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.232 4.132 -4.417 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.902 3.347 -3.215 1.00 0.00 N ATOM 0 H GLN A 136 -1.599 5.229 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.023 4.877 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.208 2.779 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.770 2.515 -3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.869 4.272 -1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.126 2.543 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.224 2.937 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.566 3.529 -3.967 1.00 0.00 H new ATOM 807 N ASN A 137 -3.298 3.657 -4.091 1.00 0.00 N ATOM 808 CA ASN A 137 -4.705 3.335 -4.315 1.00 0.00 C ATOM 809 C ASN A 137 -5.001 2.016 -3.683 1.00 0.00 C ATOM 810 O ASN A 137 -4.160 1.129 -3.692 1.00 0.00 O ATOM 811 CB ASN A 137 -5.009 3.209 -5.804 1.00 0.00 C ATOM 812 CG ASN A 137 -4.687 4.443 -6.610 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.547 5.291 -6.848 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.447 4.569 -7.005 1.00 0.00 N ATOM 0 H ASN A 137 -2.681 3.378 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.311 4.134 -3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.445 2.368 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.066 2.974 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.161 5.394 -7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.766 3.842 -6.786 1.00 0.00 H new ATOM 821 N LEU A 138 -6.191 1.878 -3.168 1.00 0.00 N ATOM 822 CA LEU A 138 -6.649 0.631 -2.536 1.00 0.00 C ATOM 823 C LEU A 138 -6.588 -0.540 -3.515 1.00 0.00 C ATOM 824 O LEU A 138 -6.190 -1.645 -3.161 1.00 0.00 O ATOM 825 CB LEU A 138 -8.072 0.815 -2.019 1.00 0.00 C ATOM 826 CG LEU A 138 -8.250 1.911 -0.981 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.717 2.259 -0.830 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.676 1.462 0.349 1.00 0.00 C ATOM 0 H LEU A 138 -6.889 2.621 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.986 0.401 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.724 1.030 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.409 -0.128 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.716 2.801 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.829 3.045 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.109 2.607 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.270 1.375 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.807 2.253 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.194 0.563 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.614 1.247 0.233 1.00 0.00 H new ATOM 840 N SER A 139 -6.951 -0.282 -4.747 1.00 0.00 N ATOM 841 CA SER A 139 -6.911 -1.300 -5.777 1.00 0.00 C ATOM 842 C SER A 139 -5.489 -1.476 -6.346 1.00 0.00 C ATOM 843 O SER A 139 -5.208 -2.428 -7.080 1.00 0.00 O ATOM 844 CB SER A 139 -7.918 -0.954 -6.871 1.00 0.00 C ATOM 845 OG SER A 139 -7.714 0.377 -7.340 1.00 0.00 O ATOM 0 H SER A 139 -7.280 0.629 -5.066 1.00 0.00 H new ATOM 0 HA SER A 139 -7.187 -2.258 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.819 -1.656 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.932 -1.058 -6.485 1.00 0.00 H new ATOM 0 HG SER A 139 -8.367 0.580 -8.042 1.00 0.00 H new ATOM 851 N ASP A 140 -4.592 -0.569 -5.987 1.00 0.00 N ATOM 852 CA ASP A 140 -3.219 -0.624 -6.495 1.00 0.00 C ATOM 853 C ASP A 140 -2.338 -1.309 -5.473 1.00 0.00 C ATOM 854 O ASP A 140 -1.203 -1.712 -5.767 1.00 0.00 O ATOM 855 CB ASP A 140 -2.670 0.783 -6.825 1.00 0.00 C ATOM 856 CG ASP A 140 -1.281 0.752 -7.456 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.128 0.221 -8.572 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.321 1.244 -6.838 1.00 0.00 O ATOM 0 H ASP A 140 -4.782 0.208 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.219 -1.193 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.359 1.285 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.634 1.376 -5.911 1.00 0.00 H new ATOM 863 N LEU A 141 -2.870 -1.451 -4.265 1.00 0.00 N ATOM 864 CA LEU A 141 -2.175 -2.129 -3.198 1.00 0.00 C ATOM 865 C LEU A 141 -1.964 -3.570 -3.541 1.00 0.00 C ATOM 866 O LEU A 141 -2.634 -4.126 -4.412 1.00 0.00 O ATOM 867 CB LEU A 141 -2.907 -2.027 -1.865 1.00 0.00 C ATOM 868 CG LEU A 141 -3.049 -0.640 -1.266 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.672 -0.728 0.106 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.706 0.061 -1.203 1.00 0.00 C ATOM 0 H LEU A 141 -3.792 -1.098 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.213 -1.629 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.905 -2.445 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.387 -2.657 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.704 -0.051 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.769 0.273 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.658 -1.187 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.040 -1.334 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.833 1.053 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.021 -0.519 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.297 0.154 -2.209 1.00 0.00 H new ATOM 882 N LEU A 142 -1.048 -4.159 -2.884 1.00 0.00 N ATOM 883 CA LEU A 142 -0.671 -5.508 -3.153 1.00 0.00 C ATOM 884 C LEU A 142 -0.643 -6.272 -1.844 1.00 0.00 C ATOM 885 O LEU A 142 -0.663 -5.659 -0.768 1.00 0.00 O ATOM 886 CB LEU A 142 0.711 -5.477 -3.794 1.00 0.00 C ATOM 887 CG LEU A 142 0.831 -4.602 -5.047 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.266 -4.329 -5.368 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.139 -5.242 -6.231 1.00 0.00 C ATOM 0 H LEU A 142 -0.522 -3.721 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.374 -6.000 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.429 -5.124 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.996 -6.496 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 142 0.336 -3.654 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.327 -3.707 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.734 -3.810 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.785 -5.271 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.242 -4.598 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.594 -6.210 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.918 -5.380 -6.004 1.00 0.00 H new ATOM 901 N SER A 143 -0.613 -7.573 -1.925 1.00 0.00 N ATOM 902 CA SER A 143 -0.548 -8.420 -0.748 1.00 0.00 C ATOM 903 C SER A 143 0.804 -8.233 -0.037 1.00 0.00 C ATOM 904 O SER A 143 1.844 -8.182 -0.692 1.00 0.00 O ATOM 905 CB SER A 143 -0.761 -9.869 -1.163 1.00 0.00 C ATOM 906 OG SER A 143 -1.981 -9.998 -1.888 1.00 0.00 O ATOM 0 H SER A 143 -0.633 -8.085 -2.807 1.00 0.00 H new ATOM 0 HA SER A 143 -1.333 -8.141 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 143 0.074 -10.205 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.784 -10.508 -0.280 1.00 0.00 H new ATOM 0 HG SER A 143 -2.108 -10.933 -2.152 1.00 0.00 H new ATOM 912 N PRO A 144 0.793 -8.135 1.308 1.00 0.00 N ATOM 913 CA PRO A 144 1.979 -7.787 2.104 1.00 0.00 C ATOM 914 C PRO A 144 3.138 -8.755 2.006 1.00 0.00 C ATOM 915 O PRO A 144 2.960 -9.973 1.872 1.00 0.00 O ATOM 916 CB PRO A 144 1.478 -7.747 3.533 1.00 0.00 C ATOM 917 CG PRO A 144 0.224 -8.549 3.528 1.00 0.00 C ATOM 918 CD PRO A 144 -0.379 -8.381 2.169 1.00 0.00 C ATOM 0 HA PRO A 144 2.389 -6.848 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.212 -8.168 4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.290 -6.723 3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.434 -9.599 3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.461 -8.204 4.302 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.927 -9.271 1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.082 -7.548 2.140 1.00 0.00 H new ATOM 926 N ILE A 145 4.311 -8.194 2.063 1.00 0.00 N ATOM 927 CA ILE A 145 5.536 -8.934 2.089 1.00 0.00 C ATOM 928 C ILE A 145 6.046 -8.924 3.513 1.00 0.00 C ATOM 929 O ILE A 145 5.954 -7.906 4.207 1.00 0.00 O ATOM 930 CB ILE A 145 6.629 -8.289 1.205 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.088 -7.982 -0.191 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.853 -9.208 1.128 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.094 -7.351 -1.137 1.00 0.00 C ATOM 0 H ILE A 145 4.444 -7.183 2.093 1.00 0.00 H new ATOM 0 HA ILE A 145 5.335 -9.938 1.714 1.00 0.00 H new ATOM 0 HB ILE A 145 6.932 -7.345 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.723 -8.908 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.232 -7.315 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.617 -8.745 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.251 -9.368 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.562 -10.166 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.621 -7.169 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.443 -6.406 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.941 -8.024 -1.269 1.00 0.00 H new ATOM 945 N CYS A 146 6.555 -10.018 3.928 1.00 0.00 N ATOM 946 CA CYS A 146 7.119 -10.180 5.224 1.00 0.00 C ATOM 947 C CYS A 146 7.966 -11.414 5.187 1.00 0.00 C ATOM 948 O CYS A 146 7.458 -12.536 5.219 1.00 0.00 O ATOM 949 CB CYS A 146 6.032 -10.318 6.278 1.00 0.00 C ATOM 950 SG CYS A 146 6.627 -10.327 7.990 1.00 0.00 S ATOM 0 H CYS A 146 6.596 -10.863 3.358 1.00 0.00 H new ATOM 0 HA CYS A 146 7.714 -9.306 5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 146 5.324 -9.498 6.159 1.00 0.00 H new ATOM 0 HB3 CYS A 146 5.483 -11.242 6.094 1.00 0.00 H new ATOM 0 HG CYS A 146 5.617 -10.447 8.800 1.00 0.00 H new ATOM 956 N GLU A 147 9.225 -11.219 5.027 1.00 0.00 N ATOM 957 CA GLU A 147 10.138 -12.310 4.949 1.00 0.00 C ATOM 958 C GLU A 147 10.614 -12.646 6.344 1.00 0.00 C ATOM 959 O GLU A 147 9.998 -13.487 7.018 1.00 0.00 O ATOM 960 CB GLU A 147 11.314 -11.936 4.050 1.00 0.00 C ATOM 961 CG GLU A 147 10.920 -11.581 2.625 1.00 0.00 C ATOM 962 CD GLU A 147 10.409 -12.757 1.839 1.00 0.00 C ATOM 963 OE1 GLU A 147 9.194 -13.045 1.868 1.00 0.00 O ATOM 964 OE2 GLU A 147 11.224 -13.420 1.154 1.00 0.00 O ATOM 965 OXT GLU A 147 11.590 -12.030 6.811 1.00 0.00 O ATOM 0 H GLU A 147 9.656 -10.298 4.946 1.00 0.00 H new ATOM 0 HA GLU A 147 9.646 -13.183 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.840 -11.089 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 147 12.017 -12.769 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 147 10.152 -10.808 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 147 11.783 -11.157 2.112 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.279 2.784 -3.516 1.00 0.00 N HETATM 974 CA 2MR A1148 16.356 3.005 -2.074 1.00 0.00 C HETATM 975 CB 2MR A1148 15.916 1.765 -1.317 1.00 0.00 C HETATM 976 CG 2MR A1148 15.869 1.908 0.205 1.00 0.00 C HETATM 977 CD 2MR A1148 14.575 2.553 0.639 1.00 0.00 C HETATM 978 NE 2MR A1148 13.444 1.752 0.170 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.176 1.974 0.443 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.850 3.044 1.237 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.550 3.540 1.707 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.285 1.132 -0.109 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.838 1.085 -0.023 1.00 0.00 C HETATM 984 C 2MR A1148 17.773 3.328 -1.726 1.00 0.00 C HETATM 985 O 2MR A1148 18.036 4.405 -1.200 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.650 2.497 -2.011 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.539 0.956 1.017 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.420 2.016 -0.407 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.465 0.249 -0.614 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.928 3.798 0.850 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.056 2.766 2.294 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.700 4.424 2.326 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.698 0.400 -0.688 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.967 0.927 0.671 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.713 2.508 0.545 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.658 0.949 -0.422 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.547 2.639 1.725 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.509 3.564 0.237 1.00 0.00 H new HETATM 0 HB3 2MR A1148 14.925 1.478 -1.669 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.592 0.948 -1.568 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.695 3.826 -1.795 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.543 3.529 -4.161 1.00 0.00 H new HETATM 0 H 2MR A1148 15.961 1.885 -3.878 1.00 0.00 H new