USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=18 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 -161:sc= 1.28 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.145 K(o=1.1,f=-2.1!) USER MOD Set 2.1: A 112 THR OG1 : rot 75:sc= 0.502 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.469 USER MOD Set 3.1: A 90 GLN : amide:sc= 0.111 K(o=0.36,f=-0.24) USER MOD Set 3.2: A 139 SER OG : rot -160:sc= 0.253 USER MOD Set 4.1: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 91 GLN : amide:sc= -0.788 K(o=-0.79,f=0.092) USER MOD Single : A 84 ASN : amide:sc= -0.122 K(o=-0.12,f=0.82) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.08) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.964 USER MOD Single : A 99 SER OG : rot 122:sc= -2.09! USER MOD Single : A 103 SER OG : rot 141:sc= 1.05 USER MOD Single : A 107 CYS SG : rot 59:sc= 0.144 USER MOD Single : A 109 TYR OH : rot 62:sc= 0.685 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0177 USER MOD Single : A 123 CYS SG : rot -13:sc= -4.36! USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -2.78! K(o=-2.8!,f=-2.2) USER MOD Single : A 137 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.077) 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 -21.283 -7.733 -2.653 1.00 0.00 N ATOM 2 CA ASN A 84 -19.878 -7.770 -2.252 1.00 0.00 C ATOM 3 C ASN A 84 -19.059 -7.119 -3.338 1.00 0.00 C ATOM 4 O ASN A 84 -19.602 -6.759 -4.382 1.00 0.00 O ATOM 5 CB ASN A 84 -19.399 -9.227 -2.056 1.00 0.00 C ATOM 6 CG ASN A 84 -19.404 -10.044 -3.347 1.00 0.00 C ATOM 7 OD1 ASN A 84 -20.228 -9.834 -4.228 1.00 0.00 O ATOM 8 ND2 ASN A 84 -18.477 -10.956 -3.470 1.00 0.00 N ATOM 0 HA ASN A 84 -19.760 -7.241 -1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.390 -9.218 -1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -20.039 -9.717 -1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.424 -11.519 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.806 -11.106 -2.717 1.00 0.00 H new ATOM 17 N THR A 85 -17.785 -6.948 -3.106 1.00 0.00 N ATOM 18 CA THR A 85 -16.903 -6.418 -4.108 1.00 0.00 C ATOM 19 C THR A 85 -16.239 -7.602 -4.829 1.00 0.00 C ATOM 20 O THR A 85 -15.812 -8.559 -4.172 1.00 0.00 O ATOM 21 CB THR A 85 -15.831 -5.531 -3.439 1.00 0.00 C ATOM 22 OG1 THR A 85 -16.483 -4.568 -2.593 1.00 0.00 O ATOM 23 CG2 THR A 85 -15.009 -4.786 -4.478 1.00 0.00 C ATOM 0 H THR A 85 -17.332 -7.172 -2.220 1.00 0.00 H new ATOM 0 HA THR A 85 -17.456 -5.808 -4.823 1.00 0.00 H new ATOM 0 HB THR A 85 -15.166 -6.172 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.809 -4.001 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.262 -4.170 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.510 -5.503 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.665 -4.150 -5.073 1.00 0.00 H new ATOM 31 N ALA A 86 -16.192 -7.563 -6.158 1.00 0.00 N ATOM 32 CA ALA A 86 -15.599 -8.650 -6.946 1.00 0.00 C ATOM 33 C ALA A 86 -14.120 -8.827 -6.619 1.00 0.00 C ATOM 34 O ALA A 86 -13.601 -9.945 -6.586 1.00 0.00 O ATOM 35 CB ALA A 86 -15.798 -8.403 -8.426 1.00 0.00 C ATOM 0 H ALA A 86 -16.557 -6.791 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.109 -9.576 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -15.352 -9.219 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -16.864 -8.348 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -15.321 -7.463 -8.705 1.00 0.00 H new ATOM 41 N ALA A 87 -13.456 -7.735 -6.384 1.00 0.00 N ATOM 42 CA ALA A 87 -12.083 -7.763 -5.980 1.00 0.00 C ATOM 43 C ALA A 87 -11.967 -7.310 -4.540 1.00 0.00 C ATOM 44 O ALA A 87 -12.094 -6.125 -4.235 1.00 0.00 O ATOM 45 CB ALA A 87 -11.228 -6.908 -6.897 1.00 0.00 C ATOM 0 H ALA A 87 -13.852 -6.799 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.713 -8.786 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.190 -6.947 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.299 -7.285 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.580 -5.877 -6.866 1.00 0.00 H new ATOM 51 N SER A 88 -11.725 -8.241 -3.649 1.00 0.00 N ATOM 52 CA SER A 88 -11.627 -7.937 -2.233 1.00 0.00 C ATOM 53 C SER A 88 -10.258 -7.371 -1.875 1.00 0.00 C ATOM 54 O SER A 88 -9.971 -7.052 -0.729 1.00 0.00 O ATOM 55 CB SER A 88 -11.992 -9.164 -1.400 1.00 0.00 C ATOM 56 OG SER A 88 -11.282 -10.303 -1.863 1.00 0.00 O ATOM 0 H SER A 88 -11.590 -9.226 -3.878 1.00 0.00 H new ATOM 0 HA SER A 88 -12.348 -7.155 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.758 -8.983 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.065 -9.347 -1.460 1.00 0.00 H new ATOM 0 HG SER A 88 -11.524 -11.082 -1.320 1.00 0.00 H new ATOM 62 N LEU A 89 -9.450 -7.207 -2.880 1.00 0.00 N ATOM 63 CA LEU A 89 -8.126 -6.635 -2.748 1.00 0.00 C ATOM 64 C LEU A 89 -8.233 -5.131 -3.076 1.00 0.00 C ATOM 65 O LEU A 89 -7.274 -4.401 -3.127 1.00 0.00 O ATOM 66 CB LEU A 89 -7.163 -7.414 -3.675 1.00 0.00 C ATOM 67 CG LEU A 89 -5.649 -7.371 -3.379 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.980 -8.552 -4.038 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.011 -6.108 -3.902 1.00 0.00 C ATOM 0 H LEU A 89 -9.689 -7.469 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.723 -6.720 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.471 -8.459 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.311 -7.045 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.522 -7.401 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.910 -8.526 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.403 -9.476 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.143 -8.508 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.945 -6.117 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.150 -6.050 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.476 -5.243 -3.430 1.00 0.00 H new ATOM 81 N GLN A 90 -9.449 -4.692 -3.263 1.00 0.00 N ATOM 82 CA GLN A 90 -9.733 -3.284 -3.502 1.00 0.00 C ATOM 83 C GLN A 90 -10.259 -2.637 -2.242 1.00 0.00 C ATOM 84 O GLN A 90 -10.545 -1.442 -2.213 1.00 0.00 O ATOM 85 CB GLN A 90 -10.733 -3.099 -4.639 1.00 0.00 C ATOM 86 CG GLN A 90 -10.185 -3.468 -5.997 1.00 0.00 C ATOM 87 CD GLN A 90 -11.186 -3.285 -7.110 1.00 0.00 C ATOM 88 OE1 GLN A 90 -12.393 -3.453 -6.921 1.00 0.00 O ATOM 89 NE2 GLN A 90 -10.719 -2.880 -8.251 1.00 0.00 N ATOM 0 H GLN A 90 -10.275 -5.290 -3.256 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.800 -2.802 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.616 -3.705 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.058 -2.059 -4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.305 -2.859 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.857 -4.507 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.715 -2.751 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.356 -2.691 -9.025 1.00 0.00 H new ATOM 98 N GLN A 91 -10.367 -3.424 -1.206 1.00 0.00 N ATOM 99 CA GLN A 91 -10.876 -2.967 0.054 1.00 0.00 C ATOM 100 C GLN A 91 -9.912 -3.364 1.152 1.00 0.00 C ATOM 101 O GLN A 91 -9.501 -4.526 1.253 1.00 0.00 O ATOM 102 CB GLN A 91 -12.284 -3.517 0.306 1.00 0.00 C ATOM 103 CG GLN A 91 -12.378 -5.031 0.245 1.00 0.00 C ATOM 104 CD GLN A 91 -13.759 -5.566 0.523 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.904 -6.660 1.047 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.773 -4.832 0.157 1.00 0.00 N ATOM 0 H GLN A 91 -10.101 -4.409 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.960 -1.880 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.623 -3.182 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.966 -3.091 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.061 -5.366 -0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.681 -5.458 0.966 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.614 -3.923 -0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.725 -5.167 0.306 1.00 0.00 H new ATOM 115 N TRP A 92 -9.511 -2.406 1.922 1.00 0.00 N ATOM 116 CA TRP A 92 -8.525 -2.599 2.960 1.00 0.00 C ATOM 117 C TRP A 92 -8.961 -1.863 4.203 1.00 0.00 C ATOM 118 O TRP A 92 -9.895 -1.062 4.143 1.00 0.00 O ATOM 119 CB TRP A 92 -7.157 -2.076 2.512 1.00 0.00 C ATOM 120 CG TRP A 92 -6.583 -2.764 1.308 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.884 -2.515 0.002 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.590 -3.797 1.297 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.168 -3.339 -0.812 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.356 -4.132 -0.049 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.879 -4.475 2.291 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.442 -5.109 -0.427 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.967 -5.444 1.910 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.757 -5.749 0.561 1.00 0.00 C ATOM 0 H TRP A 92 -9.858 -1.449 1.855 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.438 -3.666 3.167 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.244 -1.011 2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.456 -2.178 3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.589 -1.771 -0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.228 -3.361 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.038 -4.248 3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.281 -5.352 -1.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.408 -5.974 2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.036 -6.509 0.297 1.00 0.00 H new ATOM 139 N LYS A 93 -8.360 -2.166 5.327 1.00 0.00 N ATOM 140 CA LYS A 93 -8.656 -1.435 6.541 1.00 0.00 C ATOM 141 C LYS A 93 -7.393 -0.770 7.056 1.00 0.00 C ATOM 142 O LYS A 93 -6.279 -1.228 6.781 1.00 0.00 O ATOM 143 CB LYS A 93 -9.251 -2.341 7.625 1.00 0.00 C ATOM 144 CG LYS A 93 -8.279 -3.329 8.224 1.00 0.00 C ATOM 145 CD LYS A 93 -9.007 -4.289 9.163 1.00 0.00 C ATOM 146 CE LYS A 93 -8.095 -5.356 9.757 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.645 -6.363 8.765 1.00 0.00 N ATOM 0 H LYS A 93 -7.667 -2.908 5.430 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.403 -0.678 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.651 -1.716 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.091 -2.890 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.786 -3.890 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.500 -2.797 8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.463 -3.719 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.817 -4.775 8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.222 -4.874 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.620 -5.863 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.963 -7.009 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.464 -6.906 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.192 -5.881 7.962 1.00 0.00 H new ATOM 161 N VAL A 94 -7.568 0.304 7.770 1.00 0.00 N ATOM 162 CA VAL A 94 -6.469 1.011 8.386 1.00 0.00 C ATOM 163 C VAL A 94 -5.800 0.115 9.423 1.00 0.00 C ATOM 164 O VAL A 94 -6.474 -0.476 10.273 1.00 0.00 O ATOM 165 CB VAL A 94 -6.942 2.327 9.065 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.793 3.020 9.780 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.564 3.264 8.048 1.00 0.00 C ATOM 0 H VAL A 94 -8.482 0.722 7.946 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.758 1.273 7.602 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.697 2.063 9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.154 3.937 10.245 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.390 2.359 10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.010 3.262 9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.888 4.178 8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.829 3.509 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.423 2.779 7.585 1.00 0.00 H new ATOM 177 N GLY A 95 -4.504 -0.015 9.319 1.00 0.00 N ATOM 178 CA GLY A 95 -3.769 -0.799 10.268 1.00 0.00 C ATOM 179 C GLY A 95 -3.453 -2.173 9.748 1.00 0.00 C ATOM 180 O GLY A 95 -2.953 -3.023 10.494 1.00 0.00 O ATOM 0 H GLY A 95 -3.938 0.413 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.841 -0.286 10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.345 -0.885 11.189 1.00 0.00 H new ATOM 184 N ASP A 96 -3.754 -2.404 8.484 1.00 0.00 N ATOM 185 CA ASP A 96 -3.479 -3.693 7.862 1.00 0.00 C ATOM 186 C ASP A 96 -2.173 -3.583 7.133 1.00 0.00 C ATOM 187 O ASP A 96 -1.799 -2.492 6.671 1.00 0.00 O ATOM 188 CB ASP A 96 -4.529 -4.042 6.830 1.00 0.00 C ATOM 189 CG ASP A 96 -4.869 -5.524 6.780 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.958 -6.382 6.770 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.071 -5.858 6.729 1.00 0.00 O ATOM 0 H ASP A 96 -4.189 -1.719 7.865 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.467 -4.456 8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.437 -3.477 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.179 -3.725 5.847 1.00 0.00 H new ATOM 196 N LYS A 97 -1.481 -4.655 7.038 1.00 0.00 N ATOM 197 CA LYS A 97 -0.231 -4.693 6.358 1.00 0.00 C ATOM 198 C LYS A 97 -0.435 -5.105 4.929 1.00 0.00 C ATOM 199 O LYS A 97 -1.249 -5.975 4.634 1.00 0.00 O ATOM 200 CB LYS A 97 0.627 -5.668 7.067 1.00 0.00 C ATOM 201 CG LYS A 97 0.724 -5.314 8.538 1.00 0.00 C ATOM 202 CD LYS A 97 1.304 -6.412 9.354 1.00 0.00 C ATOM 203 CE LYS A 97 2.773 -6.605 9.071 1.00 0.00 C ATOM 204 NZ LYS A 97 3.381 -7.610 9.969 1.00 0.00 N ATOM 0 H LYS A 97 -1.767 -5.550 7.436 1.00 0.00 H new ATOM 0 HA LYS A 97 0.240 -3.710 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.218 -6.672 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.622 -5.678 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.336 -4.419 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.269 -5.072 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.164 -6.191 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.769 -7.339 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.905 -6.917 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.293 -5.654 9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.391 -7.713 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.278 -7.301 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.902 -8.524 9.841 1.00 0.00 H new ATOM 218 N CYS A 98 0.294 -4.506 4.054 1.00 0.00 N ATOM 219 CA CYS A 98 0.143 -4.765 2.666 1.00 0.00 C ATOM 220 C CYS A 98 1.473 -4.516 1.958 1.00 0.00 C ATOM 221 O CYS A 98 2.536 -4.490 2.591 1.00 0.00 O ATOM 222 CB CYS A 98 -0.949 -3.838 2.112 1.00 0.00 C ATOM 223 SG CYS A 98 -0.585 -2.083 2.316 1.00 0.00 S ATOM 0 H CYS A 98 1.014 -3.820 4.282 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.148 -5.802 2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.089 -4.050 1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.892 -4.064 2.610 1.00 0.00 H new ATOM 0 HG CYS A 98 0.430 -1.940 3.116 1.00 0.00 H new ATOM 229 N SER A 99 1.412 -4.386 0.682 1.00 0.00 N ATOM 230 CA SER A 99 2.538 -4.036 -0.121 1.00 0.00 C ATOM 231 C SER A 99 2.143 -2.935 -1.062 1.00 0.00 C ATOM 232 O SER A 99 0.969 -2.827 -1.444 1.00 0.00 O ATOM 233 CB SER A 99 3.036 -5.243 -0.883 1.00 0.00 C ATOM 234 OG SER A 99 3.524 -6.223 0.003 1.00 0.00 O ATOM 0 H SER A 99 0.554 -4.523 0.147 1.00 0.00 H new ATOM 0 HA SER A 99 3.350 -3.687 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.228 -5.659 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.825 -4.944 -1.573 1.00 0.00 H new ATOM 0 HG SER A 99 3.035 -7.061 -0.135 1.00 0.00 H new ATOM 240 N ALA A 100 3.081 -2.116 -1.406 1.00 0.00 N ATOM 241 CA ALA A 100 2.838 -1.010 -2.273 1.00 0.00 C ATOM 242 C ALA A 100 3.988 -0.854 -3.230 1.00 0.00 C ATOM 243 O ALA A 100 5.080 -1.401 -2.999 1.00 0.00 O ATOM 244 CB ALA A 100 2.639 0.253 -1.464 1.00 0.00 C ATOM 0 H ALA A 100 4.048 -2.196 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 100 1.929 -1.194 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.454 1.091 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.786 0.128 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.534 0.452 -0.874 1.00 0.00 H new ATOM 250 N ILE A 101 3.742 -0.165 -4.312 1.00 0.00 N ATOM 251 CA ILE A 101 4.749 0.097 -5.299 1.00 0.00 C ATOM 252 C ILE A 101 5.400 1.416 -4.993 1.00 0.00 C ATOM 253 O ILE A 101 4.759 2.468 -5.075 1.00 0.00 O ATOM 254 CB ILE A 101 4.151 0.111 -6.733 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.755 -1.296 -7.162 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.099 0.752 -7.759 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.909 -2.208 -7.503 1.00 0.00 C ATOM 0 H ILE A 101 2.829 0.232 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 101 5.490 -0.701 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 101 3.256 0.733 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.174 -1.754 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.100 -1.224 -8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.633 0.736 -8.744 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.304 1.783 -7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.033 0.192 -7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.526 -3.185 -7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.480 -1.780 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.555 -2.318 -6.632 1.00 0.00 H new ATOM 269 N TRP A 102 6.644 1.359 -4.641 1.00 0.00 N ATOM 270 CA TRP A 102 7.388 2.541 -4.301 1.00 0.00 C ATOM 271 C TRP A 102 7.625 3.327 -5.535 1.00 0.00 C ATOM 272 O TRP A 102 8.178 2.819 -6.490 1.00 0.00 O ATOM 273 CB TRP A 102 8.709 2.165 -3.684 1.00 0.00 C ATOM 274 CG TRP A 102 9.349 3.260 -2.904 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.722 4.258 -2.226 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.734 3.443 -2.687 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.641 5.040 -1.592 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.885 4.563 -1.860 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.863 2.774 -3.108 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.128 5.017 -1.451 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.085 3.232 -2.705 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.204 4.344 -1.882 1.00 0.00 C ATOM 0 H TRP A 102 7.179 0.493 -4.579 1.00 0.00 H new ATOM 0 HA TRP A 102 6.821 3.132 -3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.561 1.306 -3.030 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.390 1.850 -4.474 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.653 4.409 -2.194 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.429 5.851 -1.011 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.783 1.905 -3.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.226 5.880 -0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.977 2.719 -3.033 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.187 4.675 -1.582 1.00 0.00 H new ATOM 293 N SER A 103 7.240 4.559 -5.502 1.00 0.00 N ATOM 294 CA SER A 103 7.351 5.448 -6.616 1.00 0.00 C ATOM 295 C SER A 103 8.793 5.682 -7.039 1.00 0.00 C ATOM 296 O SER A 103 9.068 6.059 -8.167 1.00 0.00 O ATOM 297 CB SER A 103 6.748 6.739 -6.213 1.00 0.00 C ATOM 298 OG SER A 103 5.367 6.609 -5.950 1.00 0.00 O ATOM 0 H SER A 103 6.827 4.991 -4.675 1.00 0.00 H new ATOM 0 HA SER A 103 6.840 5.002 -7.469 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.254 7.116 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.901 7.475 -7.003 1.00 0.00 H new ATOM 0 HG SER A 103 5.129 7.157 -5.173 1.00 0.00 H new ATOM 304 N GLU A 104 9.687 5.428 -6.144 1.00 0.00 N ATOM 305 CA GLU A 104 11.072 5.705 -6.363 1.00 0.00 C ATOM 306 C GLU A 104 11.772 4.581 -7.125 1.00 0.00 C ATOM 307 O GLU A 104 12.561 4.841 -8.028 1.00 0.00 O ATOM 308 CB GLU A 104 11.685 5.914 -5.026 1.00 0.00 C ATOM 309 CG GLU A 104 10.965 6.985 -4.252 1.00 0.00 C ATOM 310 CD GLU A 104 11.463 8.367 -4.523 1.00 0.00 C ATOM 311 OE1 GLU A 104 11.106 8.948 -5.549 1.00 0.00 O ATOM 312 OE2 GLU A 104 12.213 8.911 -3.692 1.00 0.00 O ATOM 0 H GLU A 104 9.479 5.020 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 104 11.182 6.592 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.663 4.980 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.733 6.190 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.902 6.939 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.062 6.777 -3.186 1.00 0.00 H new ATOM 319 N ASP A 105 11.480 3.336 -6.780 1.00 0.00 N ATOM 320 CA ASP A 105 12.127 2.217 -7.486 1.00 0.00 C ATOM 321 C ASP A 105 11.170 1.491 -8.388 1.00 0.00 C ATOM 322 O ASP A 105 11.582 0.690 -9.205 1.00 0.00 O ATOM 323 CB ASP A 105 12.797 1.203 -6.541 1.00 0.00 C ATOM 324 CG ASP A 105 14.071 1.700 -5.895 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.846 2.437 -6.543 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.357 1.316 -4.738 1.00 0.00 O ATOM 0 H ASP A 105 10.825 3.070 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 105 12.908 2.683 -8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.089 0.931 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.018 0.294 -7.101 1.00 0.00 H new ATOM 331 N GLY A 106 9.885 1.736 -8.204 1.00 0.00 N ATOM 332 CA GLY A 106 8.855 1.107 -9.037 1.00 0.00 C ATOM 333 C GLY A 106 8.561 -0.314 -8.593 1.00 0.00 C ATOM 334 O GLY A 106 7.694 -0.992 -9.143 1.00 0.00 O ATOM 0 H GLY A 106 9.522 2.365 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.940 1.698 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.181 1.103 -10.077 1.00 0.00 H new ATOM 338 N CYS A 107 9.292 -0.745 -7.601 1.00 0.00 N ATOM 339 CA CYS A 107 9.236 -2.060 -7.083 1.00 0.00 C ATOM 340 C CYS A 107 8.218 -2.207 -5.960 1.00 0.00 C ATOM 341 O CYS A 107 7.729 -1.205 -5.410 1.00 0.00 O ATOM 342 CB CYS A 107 10.613 -2.395 -6.602 1.00 0.00 C ATOM 343 SG CYS A 107 11.853 -2.506 -7.899 1.00 0.00 S ATOM 0 H CYS A 107 9.969 -0.153 -7.119 1.00 0.00 H new ATOM 0 HA CYS A 107 8.908 -2.747 -7.863 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.926 -1.639 -5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.577 -3.346 -6.070 1.00 0.00 H new ATOM 0 HG CYS A 107 11.916 -1.375 -8.537 1.00 0.00 H new ATOM 349 N ILE A 108 7.922 -3.450 -5.622 1.00 0.00 N ATOM 350 CA ILE A 108 6.994 -3.778 -4.561 1.00 0.00 C ATOM 351 C ILE A 108 7.726 -3.845 -3.245 1.00 0.00 C ATOM 352 O ILE A 108 8.782 -4.472 -3.145 1.00 0.00 O ATOM 353 CB ILE A 108 6.355 -5.154 -4.772 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.839 -5.288 -6.190 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.231 -5.338 -3.769 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.146 -6.605 -6.481 1.00 0.00 C ATOM 0 H ILE A 108 8.325 -4.266 -6.083 1.00 0.00 H new ATOM 0 HA ILE A 108 6.227 -3.004 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 108 7.104 -5.931 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.143 -4.473 -6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.674 -5.170 -6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.771 -6.316 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.631 -5.271 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.482 -4.560 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.808 -6.617 -7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.843 -7.427 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.288 -6.719 -5.818 1.00 0.00 H new ATOM 368 N TYR A 109 7.181 -3.217 -2.257 1.00 0.00 N ATOM 369 CA TYR A 109 7.756 -3.212 -0.943 1.00 0.00 C ATOM 370 C TYR A 109 6.656 -3.312 0.102 1.00 0.00 C ATOM 371 O TYR A 109 5.518 -2.896 -0.161 1.00 0.00 O ATOM 372 CB TYR A 109 8.536 -1.943 -0.725 1.00 0.00 C ATOM 373 CG TYR A 109 9.752 -1.759 -1.608 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.666 -1.097 -2.822 1.00 0.00 C ATOM 375 CD2 TYR A 109 10.987 -2.198 -1.195 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.783 -0.882 -3.594 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.110 -1.981 -1.957 1.00 0.00 C ATOM 378 CZ TYR A 109 12.007 -1.322 -3.154 1.00 0.00 C ATOM 379 OH TYR A 109 13.142 -1.102 -3.915 1.00 0.00 O ATOM 0 H TYR A 109 6.314 -2.685 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 109 8.426 -4.067 -0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.867 -1.096 -0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.858 -1.910 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.706 -0.744 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.077 -2.723 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.698 -0.370 -4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.073 -2.329 -1.613 1.00 0.00 H new ATOM 0 HH TYR A 109 13.286 -0.138 -4.017 1.00 0.00 H new ATOM 389 N PRO A 110 6.962 -3.882 1.283 1.00 0.00 N ATOM 390 CA PRO A 110 5.987 -4.021 2.370 1.00 0.00 C ATOM 391 C PRO A 110 5.620 -2.672 2.996 1.00 0.00 C ATOM 392 O PRO A 110 6.493 -1.886 3.384 1.00 0.00 O ATOM 393 CB PRO A 110 6.718 -4.885 3.399 1.00 0.00 C ATOM 394 CG PRO A 110 8.163 -4.655 3.135 1.00 0.00 C ATOM 395 CD PRO A 110 8.285 -4.432 1.657 1.00 0.00 C ATOM 0 HA PRO A 110 5.048 -4.448 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.452 -4.598 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.459 -5.938 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.528 -3.791 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.758 -5.512 3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.091 -3.737 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.499 -5.360 1.127 1.00 0.00 H new ATOM 403 N ALA A 111 4.350 -2.416 3.118 1.00 0.00 N ATOM 404 CA ALA A 111 3.883 -1.178 3.667 1.00 0.00 C ATOM 405 C ALA A 111 2.647 -1.413 4.491 1.00 0.00 C ATOM 406 O ALA A 111 1.878 -2.309 4.209 1.00 0.00 O ATOM 407 CB ALA A 111 3.601 -0.189 2.566 1.00 0.00 C ATOM 0 H ALA A 111 3.610 -3.060 2.840 1.00 0.00 H new ATOM 0 HA ALA A 111 4.659 -0.764 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.247 0.747 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.514 -0.004 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.838 -0.593 1.901 1.00 0.00 H new ATOM 413 N THR A 112 2.446 -0.624 5.480 1.00 0.00 N ATOM 414 CA THR A 112 1.313 -0.803 6.344 1.00 0.00 C ATOM 415 C THR A 112 0.381 0.391 6.200 1.00 0.00 C ATOM 416 O THR A 112 0.844 1.532 6.138 1.00 0.00 O ATOM 417 CB THR A 112 1.771 -0.972 7.801 1.00 0.00 C ATOM 418 OG1 THR A 112 2.831 -1.944 7.823 1.00 0.00 O ATOM 419 CG2 THR A 112 0.621 -1.491 8.659 1.00 0.00 C ATOM 0 H THR A 112 3.050 0.162 5.722 1.00 0.00 H new ATOM 0 HA THR A 112 0.776 -1.708 6.059 1.00 0.00 H new ATOM 0 HB THR A 112 2.105 -0.012 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.654 -1.538 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.959 -1.606 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.206 -0.782 8.626 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.288 -2.456 8.276 1.00 0.00 H new ATOM 427 N ILE A 113 -0.902 0.124 6.112 1.00 0.00 N ATOM 428 CA ILE A 113 -1.899 1.156 5.908 1.00 0.00 C ATOM 429 C ILE A 113 -2.029 2.043 7.140 1.00 0.00 C ATOM 430 O ILE A 113 -2.365 1.569 8.237 1.00 0.00 O ATOM 431 CB ILE A 113 -3.249 0.513 5.592 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.081 -0.430 4.411 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.285 1.587 5.271 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.213 -1.381 4.252 1.00 0.00 C ATOM 0 H ILE A 113 -1.287 -0.818 6.180 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.582 1.777 5.070 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.599 -0.047 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.978 0.157 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.156 -0.994 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.242 1.115 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.399 2.250 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.955 2.164 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.030 -2.024 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.303 -1.993 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.137 -0.824 4.098 1.00 0.00 H new ATOM 446 N ALA A 114 -1.769 3.311 6.954 1.00 0.00 N ATOM 447 CA ALA A 114 -1.836 4.274 8.023 1.00 0.00 C ATOM 448 C ALA A 114 -3.189 4.973 8.040 1.00 0.00 C ATOM 449 O ALA A 114 -3.724 5.268 9.103 1.00 0.00 O ATOM 450 CB ALA A 114 -0.716 5.285 7.895 1.00 0.00 C ATOM 0 H ALA A 114 -1.503 3.707 6.052 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.718 3.743 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.781 6.005 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.244 4.772 7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.804 5.807 6.942 1.00 0.00 H new ATOM 456 N SER A 115 -3.733 5.238 6.875 1.00 0.00 N ATOM 457 CA SER A 115 -5.026 5.873 6.760 1.00 0.00 C ATOM 458 C SER A 115 -5.598 5.598 5.386 1.00 0.00 C ATOM 459 O SER A 115 -4.843 5.343 4.457 1.00 0.00 O ATOM 460 CB SER A 115 -4.886 7.380 7.002 1.00 0.00 C ATOM 461 OG SER A 115 -3.880 7.947 6.158 1.00 0.00 O ATOM 0 H SER A 115 -3.293 5.020 5.981 1.00 0.00 H new ATOM 0 HA SER A 115 -5.706 5.468 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.841 7.871 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.633 7.562 8.047 1.00 0.00 H new ATOM 0 HG SER A 115 -3.812 8.909 6.331 1.00 0.00 H new ATOM 467 N ILE A 116 -6.911 5.605 5.267 1.00 0.00 N ATOM 468 CA ILE A 116 -7.574 5.379 4.005 1.00 0.00 C ATOM 469 C ILE A 116 -8.514 6.532 3.710 1.00 0.00 C ATOM 470 O ILE A 116 -9.278 6.963 4.586 1.00 0.00 O ATOM 471 CB ILE A 116 -8.399 4.064 4.030 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.501 2.869 4.329 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.143 3.859 2.712 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.240 1.574 4.448 1.00 0.00 C ATOM 0 H ILE A 116 -7.547 5.768 6.047 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.807 5.302 3.234 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.138 4.147 4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.755 2.780 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.961 3.055 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.713 2.931 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.823 4.694 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.425 3.805 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.535 0.771 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.967 1.643 5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.758 1.363 3.512 1.00 0.00 H new ATOM 486 N ASP A 117 -8.444 7.038 2.518 1.00 0.00 N ATOM 487 CA ASP A 117 -9.339 8.070 2.070 1.00 0.00 C ATOM 488 C ASP A 117 -10.270 7.436 1.084 1.00 0.00 C ATOM 489 O ASP A 117 -9.886 7.117 -0.044 1.00 0.00 O ATOM 490 CB ASP A 117 -8.592 9.223 1.411 1.00 0.00 C ATOM 491 CG ASP A 117 -9.496 10.400 1.088 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.350 10.297 0.197 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.362 11.462 1.755 1.00 0.00 O ATOM 0 H ASP A 117 -7.760 6.747 1.820 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.875 8.490 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.791 9.556 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.122 8.869 0.493 1.00 0.00 H new ATOM 498 N PHE A 118 -11.472 7.229 1.504 1.00 0.00 N ATOM 499 CA PHE A 118 -12.449 6.515 0.720 1.00 0.00 C ATOM 500 C PHE A 118 -12.972 7.355 -0.429 1.00 0.00 C ATOM 501 O PHE A 118 -13.472 6.822 -1.423 1.00 0.00 O ATOM 502 CB PHE A 118 -13.591 6.041 1.607 1.00 0.00 C ATOM 503 CG PHE A 118 -13.161 5.070 2.678 1.00 0.00 C ATOM 504 CD1 PHE A 118 -13.112 3.714 2.416 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.798 5.516 3.941 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.711 2.820 3.388 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.393 4.628 4.916 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.349 3.278 4.639 1.00 0.00 C ATOM 0 H PHE A 118 -11.817 7.550 2.409 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.956 5.645 0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -14.057 6.906 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.351 5.569 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.391 3.349 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.833 6.572 4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.680 1.763 3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.111 4.989 5.894 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.032 2.580 5.400 1.00 0.00 H new ATOM 518 N LYS A 119 -12.821 8.649 -0.317 1.00 0.00 N ATOM 519 CA LYS A 119 -13.286 9.559 -1.339 1.00 0.00 C ATOM 520 C LYS A 119 -12.375 9.492 -2.552 1.00 0.00 C ATOM 521 O LYS A 119 -12.832 9.532 -3.693 1.00 0.00 O ATOM 522 CB LYS A 119 -13.352 10.977 -0.800 1.00 0.00 C ATOM 523 CG LYS A 119 -14.278 11.136 0.388 1.00 0.00 C ATOM 524 CD LYS A 119 -14.240 12.546 0.910 1.00 0.00 C ATOM 525 CE LYS A 119 -15.141 12.720 2.107 1.00 0.00 C ATOM 526 NZ LYS A 119 -15.044 14.081 2.672 1.00 0.00 N ATOM 0 H LYS A 119 -12.375 9.103 0.480 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.290 9.262 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.349 11.294 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.681 11.644 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.297 10.878 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.986 10.443 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.217 12.806 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.544 13.235 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.173 12.519 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.876 11.989 2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.677 14.162 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.065 14.264 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.321 14.777 1.951 1.00 0.00 H new ATOM 540 N ARG A 120 -11.087 9.375 -2.303 1.00 0.00 N ATOM 541 CA ARG A 120 -10.115 9.288 -3.370 1.00 0.00 C ATOM 542 C ARG A 120 -9.795 7.849 -3.680 1.00 0.00 C ATOM 543 O ARG A 120 -9.092 7.559 -4.650 1.00 0.00 O ATOM 544 CB ARG A 120 -8.841 10.035 -2.982 1.00 0.00 C ATOM 545 CG ARG A 120 -9.069 11.504 -2.681 1.00 0.00 C ATOM 546 CD ARG A 120 -9.621 12.214 -3.891 1.00 0.00 C ATOM 547 NE ARG A 120 -9.912 13.617 -3.640 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.677 14.371 -4.429 1.00 0.00 C ATOM 549 NH1 ARG A 120 -11.238 13.842 -5.509 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.897 15.646 -4.132 1.00 0.00 N ATOM 0 H ARG A 120 -10.689 9.338 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.540 9.748 -4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.401 9.557 -2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.116 9.946 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.761 11.606 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.131 11.968 -2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.905 12.137 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.532 11.712 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.506 14.050 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.084 12.859 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.824 14.418 -6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.480 16.054 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.483 16.217 -4.740 1.00 0.00 H new ATOM 564 N GLU A 121 -10.324 6.947 -2.845 1.00 0.00 N ATOM 565 CA GLU A 121 -10.104 5.500 -2.949 1.00 0.00 C ATOM 566 C GLU A 121 -8.620 5.184 -2.784 1.00 0.00 C ATOM 567 O GLU A 121 -8.108 4.161 -3.283 1.00 0.00 O ATOM 568 CB GLU A 121 -10.648 4.950 -4.270 1.00 0.00 C ATOM 569 CG GLU A 121 -12.138 5.148 -4.439 1.00 0.00 C ATOM 570 CD GLU A 121 -12.642 4.681 -5.775 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.510 5.429 -6.761 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.211 3.565 -5.863 1.00 0.00 O ATOM 0 H GLU A 121 -10.927 7.207 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.652 5.007 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.129 5.435 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.422 3.886 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.663 4.609 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.375 6.205 -4.316 1.00 0.00 H new ATOM 579 N THR A 122 -7.948 6.029 -2.049 1.00 0.00 N ATOM 580 CA THR A 122 -6.548 5.877 -1.815 1.00 0.00 C ATOM 581 C THR A 122 -6.286 5.697 -0.334 1.00 0.00 C ATOM 582 O THR A 122 -7.185 5.845 0.479 1.00 0.00 O ATOM 583 CB THR A 122 -5.749 7.087 -2.341 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.237 8.306 -1.742 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.840 7.199 -3.851 1.00 0.00 C ATOM 0 H THR A 122 -8.363 6.843 -1.597 1.00 0.00 H new ATOM 0 HA THR A 122 -6.216 4.992 -2.357 1.00 0.00 H new ATOM 0 HB THR A 122 -4.705 6.934 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.721 9.067 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.266 8.062 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.437 6.295 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.883 7.320 -4.145 1.00 0.00 H new ATOM 593 N CYS A 123 -5.098 5.332 -0.003 1.00 0.00 N ATOM 594 CA CYS A 123 -4.688 5.184 1.351 1.00 0.00 C ATOM 595 C CYS A 123 -3.218 5.503 1.470 1.00 0.00 C ATOM 596 O CYS A 123 -2.451 5.303 0.516 1.00 0.00 O ATOM 597 CB CYS A 123 -4.964 3.766 1.813 1.00 0.00 C ATOM 598 SG CYS A 123 -4.298 2.516 0.705 1.00 0.00 S ATOM 0 H CYS A 123 -4.366 5.123 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.248 5.873 1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.538 3.625 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.041 3.624 1.905 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.959 3.070 -0.421 1.00 0.00 H new ATOM 604 N VAL A 124 -2.822 5.978 2.604 1.00 0.00 N ATOM 605 CA VAL A 124 -1.445 6.251 2.853 1.00 0.00 C ATOM 606 C VAL A 124 -0.866 5.062 3.561 1.00 0.00 C ATOM 607 O VAL A 124 -1.453 4.557 4.532 1.00 0.00 O ATOM 608 CB VAL A 124 -1.233 7.531 3.706 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.253 7.750 3.990 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.812 8.745 2.998 1.00 0.00 C ATOM 0 H VAL A 124 -3.444 6.188 3.385 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.946 6.431 1.901 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.753 7.396 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.380 8.652 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.649 6.894 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.791 7.861 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.654 9.633 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.317 8.875 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.880 8.599 2.840 1.00 0.00 H new ATOM 620 N VAL A 125 0.247 4.600 3.085 1.00 0.00 N ATOM 621 CA VAL A 125 0.881 3.462 3.648 1.00 0.00 C ATOM 622 C VAL A 125 2.291 3.832 4.050 1.00 0.00 C ATOM 623 O VAL A 125 2.919 4.705 3.438 1.00 0.00 O ATOM 624 CB VAL A 125 0.929 2.254 2.655 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.460 1.825 2.206 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.815 2.555 1.451 1.00 0.00 C ATOM 0 H VAL A 125 0.740 5.008 2.290 1.00 0.00 H new ATOM 0 HA VAL A 125 0.297 3.151 4.514 1.00 0.00 H new ATOM 0 HB VAL A 125 1.369 1.420 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.376 0.984 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.047 1.526 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.953 2.657 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.825 1.694 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.424 3.423 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.830 2.764 1.789 1.00 0.00 H new ATOM 636 N VAL A 126 2.746 3.219 5.085 1.00 0.00 N ATOM 637 CA VAL A 126 4.066 3.420 5.591 1.00 0.00 C ATOM 638 C VAL A 126 4.889 2.204 5.278 1.00 0.00 C ATOM 639 O VAL A 126 4.515 1.095 5.646 1.00 0.00 O ATOM 640 CB VAL A 126 4.057 3.668 7.116 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.480 3.676 7.673 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.344 4.980 7.433 1.00 0.00 C ATOM 0 H VAL A 126 2.199 2.545 5.621 1.00 0.00 H new ATOM 0 HA VAL A 126 4.493 4.304 5.117 1.00 0.00 H new ATOM 0 HB VAL A 126 3.514 2.854 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.449 3.852 8.748 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.953 2.714 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.055 4.468 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.344 5.143 8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.862 5.804 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.316 4.931 7.074 1.00 0.00 H new ATOM 652 N TYR A 127 5.978 2.404 4.588 1.00 0.00 N ATOM 653 CA TYR A 127 6.851 1.327 4.222 1.00 0.00 C ATOM 654 C TYR A 127 7.556 0.793 5.433 1.00 0.00 C ATOM 655 O TYR A 127 8.398 1.480 6.054 1.00 0.00 O ATOM 656 CB TYR A 127 7.828 1.743 3.147 1.00 0.00 C ATOM 657 CG TYR A 127 7.158 2.053 1.838 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.683 1.026 1.023 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.981 3.358 1.417 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.062 1.297 -0.171 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.350 3.632 0.232 1.00 0.00 C ATOM 662 CZ TYR A 127 5.895 2.597 -0.559 1.00 0.00 C ATOM 663 OH TYR A 127 5.230 2.865 -1.729 1.00 0.00 O ATOM 0 H TYR A 127 6.284 3.321 4.264 1.00 0.00 H new ATOM 0 HA TYR A 127 6.244 0.525 3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.380 2.621 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.557 0.946 2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.806 -0.000 1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.344 4.170 2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.709 0.491 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.209 4.656 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 127 5.447 3.772 -2.028 1.00 0.00 H new ATOM 673 N THR A 128 7.199 -0.409 5.769 1.00 0.00 N ATOM 674 CA THR A 128 7.666 -1.074 6.932 1.00 0.00 C ATOM 675 C THR A 128 9.173 -1.281 6.873 1.00 0.00 C ATOM 676 O THR A 128 9.713 -1.759 5.871 1.00 0.00 O ATOM 677 CB THR A 128 6.943 -2.423 7.045 1.00 0.00 C ATOM 678 OG1 THR A 128 5.517 -2.199 7.131 1.00 0.00 O ATOM 679 CG2 THR A 128 7.419 -3.219 8.246 1.00 0.00 C ATOM 0 H THR A 128 6.550 -0.968 5.216 1.00 0.00 H new ATOM 0 HA THR A 128 7.454 -0.463 7.810 1.00 0.00 H new ATOM 0 HB THR A 128 7.174 -3.007 6.154 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.054 -3.060 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.883 -4.167 8.290 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.488 -3.411 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.229 -2.652 9.157 1.00 0.00 H new ATOM 687 N GLY A 129 9.842 -0.899 7.931 1.00 0.00 N ATOM 688 CA GLY A 129 11.261 -1.075 8.007 1.00 0.00 C ATOM 689 C GLY A 129 12.023 0.114 7.482 1.00 0.00 C ATOM 690 O GLY A 129 13.198 0.288 7.806 1.00 0.00 O ATOM 0 H GLY A 129 9.421 -0.463 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.546 -1.255 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.544 -1.962 7.440 1.00 0.00 H new ATOM 694 N TYR A 130 11.370 0.930 6.672 1.00 0.00 N ATOM 695 CA TYR A 130 12.021 2.077 6.081 1.00 0.00 C ATOM 696 C TYR A 130 11.526 3.369 6.718 1.00 0.00 C ATOM 697 O TYR A 130 12.302 4.290 6.970 1.00 0.00 O ATOM 698 CB TYR A 130 11.780 2.109 4.588 1.00 0.00 C ATOM 699 CG TYR A 130 12.263 0.888 3.834 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.615 0.684 3.595 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.365 -0.049 3.342 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.056 -0.418 2.891 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.797 -1.151 2.636 1.00 0.00 C ATOM 704 CZ TYR A 130 13.141 -1.332 2.412 1.00 0.00 C ATOM 705 OH TYR A 130 13.582 -2.440 1.705 1.00 0.00 O ATOM 0 H TYR A 130 10.390 0.816 6.411 1.00 0.00 H new ATOM 0 HA TYR A 130 13.092 1.990 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.711 2.227 4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.271 2.990 4.175 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.334 1.400 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.308 0.088 3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.112 -0.564 2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.083 -1.869 2.261 1.00 0.00 H new ATOM 0 HH TYR A 130 12.813 -2.986 1.439 1.00 0.00 H new ATOM 715 N GLY A 131 10.231 3.446 6.956 1.00 0.00 N ATOM 716 CA GLY A 131 9.678 4.596 7.635 1.00 0.00 C ATOM 717 C GLY A 131 9.144 5.668 6.706 1.00 0.00 C ATOM 718 O GLY A 131 8.790 6.754 7.157 1.00 0.00 O ATOM 0 H GLY A 131 9.551 2.733 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.872 4.265 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.447 5.033 8.272 1.00 0.00 H new ATOM 722 N ASN A 132 9.068 5.386 5.418 1.00 0.00 N ATOM 723 CA ASN A 132 8.514 6.383 4.494 1.00 0.00 C ATOM 724 C ASN A 132 7.058 6.150 4.348 1.00 0.00 C ATOM 725 O ASN A 132 6.570 5.068 4.648 1.00 0.00 O ATOM 726 CB ASN A 132 9.140 6.392 3.088 1.00 0.00 C ATOM 727 CG ASN A 132 10.551 6.931 3.011 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.983 7.726 3.847 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.260 6.557 1.975 1.00 0.00 N ATOM 0 H ASN A 132 9.369 4.510 4.990 1.00 0.00 H new ATOM 0 HA ASN A 132 8.745 7.350 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.136 5.373 2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.506 6.986 2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.201 6.926 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.871 5.897 1.302 1.00 0.00 H new ATOM 736 N ARG A 133 6.369 7.120 3.865 1.00 0.00 N ATOM 737 CA ARG A 133 4.955 7.004 3.701 1.00 0.00 C ATOM 738 C ARG A 133 4.574 7.518 2.348 1.00 0.00 C ATOM 739 O ARG A 133 5.112 8.528 1.893 1.00 0.00 O ATOM 740 CB ARG A 133 4.191 7.682 4.866 1.00 0.00 C ATOM 741 CG ARG A 133 4.320 9.200 4.989 1.00 0.00 C ATOM 742 CD ARG A 133 3.296 9.940 4.134 1.00 0.00 C ATOM 743 NE ARG A 133 3.339 11.388 4.360 1.00 0.00 N ATOM 744 CZ ARG A 133 2.679 12.319 3.656 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.998 11.990 2.549 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.743 13.590 4.036 1.00 0.00 N ATOM 0 H ARG A 133 6.761 8.015 3.572 1.00 0.00 H new ATOM 0 HA ARG A 133 4.660 5.956 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.133 7.439 4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.532 7.236 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.196 9.489 6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.324 9.502 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.484 9.731 3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.297 9.567 4.360 1.00 0.00 H new ATOM 0 HE ARG A 133 3.927 11.719 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.977 11.021 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.501 12.709 2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.290 13.850 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.245 14.306 3.507 1.00 0.00 H new ATOM 760 N GLU A 134 3.694 6.831 1.714 1.00 0.00 N ATOM 761 CA GLU A 134 3.294 7.130 0.393 1.00 0.00 C ATOM 762 C GLU A 134 1.816 6.821 0.240 1.00 0.00 C ATOM 763 O GLU A 134 1.288 5.954 0.940 1.00 0.00 O ATOM 764 CB GLU A 134 4.188 6.334 -0.565 1.00 0.00 C ATOM 765 CG GLU A 134 3.775 6.349 -1.998 1.00 0.00 C ATOM 766 CD GLU A 134 4.950 6.178 -2.926 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.394 5.047 -3.195 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.450 7.201 -3.420 1.00 0.00 O ATOM 0 H GLU A 134 3.220 6.022 2.115 1.00 0.00 H new ATOM 0 HA GLU A 134 3.416 8.187 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.203 6.725 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.221 5.299 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.054 5.551 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.271 7.290 -2.220 1.00 0.00 H new ATOM 775 N GLU A 135 1.157 7.534 -0.635 1.00 0.00 N ATOM 776 CA GLU A 135 -0.252 7.376 -0.831 1.00 0.00 C ATOM 777 C GLU A 135 -0.493 6.577 -2.086 1.00 0.00 C ATOM 778 O GLU A 135 -0.036 6.941 -3.181 1.00 0.00 O ATOM 779 CB GLU A 135 -0.936 8.732 -0.900 1.00 0.00 C ATOM 780 CG GLU A 135 -2.437 8.661 -1.057 1.00 0.00 C ATOM 781 CD GLU A 135 -3.060 10.011 -1.010 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.053 10.719 -2.031 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.550 10.410 0.055 1.00 0.00 O ATOM 0 H GLU A 135 1.587 8.241 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.679 6.837 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.703 9.291 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.521 9.294 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.681 8.180 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.857 8.039 -0.266 1.00 0.00 H new ATOM 790 N GLN A 136 -1.178 5.492 -1.907 1.00 0.00 N ATOM 791 CA GLN A 136 -1.415 4.516 -2.933 1.00 0.00 C ATOM 792 C GLN A 136 -2.901 4.279 -3.031 1.00 0.00 C ATOM 793 O GLN A 136 -3.638 4.642 -2.135 1.00 0.00 O ATOM 794 CB GLN A 136 -0.722 3.218 -2.537 1.00 0.00 C ATOM 795 CG GLN A 136 0.753 3.401 -2.201 1.00 0.00 C ATOM 796 CD GLN A 136 1.640 3.546 -3.420 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.211 3.994 -4.492 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.878 3.251 -3.251 1.00 0.00 N ATOM 0 H GLN A 136 -1.604 5.249 -1.013 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.030 4.863 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.233 2.789 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.816 2.501 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.867 4.284 -1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.092 2.547 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.197 2.884 -2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.543 3.384 -4.013 1.00 0.00 H new ATOM 807 N ASN A 137 -3.330 3.685 -4.091 1.00 0.00 N ATOM 808 CA ASN A 137 -4.738 3.407 -4.298 1.00 0.00 C ATOM 809 C ASN A 137 -5.038 2.076 -3.687 1.00 0.00 C ATOM 810 O ASN A 137 -4.216 1.175 -3.757 1.00 0.00 O ATOM 811 CB ASN A 137 -5.063 3.320 -5.786 1.00 0.00 C ATOM 812 CG ASN A 137 -4.628 4.519 -6.596 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.390 5.462 -6.802 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.393 4.503 -7.035 1.00 0.00 N ATOM 0 H ASN A 137 -2.725 3.371 -4.850 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.328 4.207 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.588 2.429 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.139 3.190 -5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.031 5.293 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.794 3.701 -6.842 1.00 0.00 H new ATOM 821 N LEU A 138 -6.202 1.953 -3.111 1.00 0.00 N ATOM 822 CA LEU A 138 -6.670 0.698 -2.493 1.00 0.00 C ATOM 823 C LEU A 138 -6.636 -0.464 -3.484 1.00 0.00 C ATOM 824 O LEU A 138 -6.223 -1.558 -3.153 1.00 0.00 O ATOM 825 CB LEU A 138 -8.084 0.891 -1.972 1.00 0.00 C ATOM 826 CG LEU A 138 -8.242 1.942 -0.890 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.699 2.306 -0.728 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.677 1.427 0.422 1.00 0.00 C ATOM 0 H LEU A 138 -6.875 2.717 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.999 0.452 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.728 1.157 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.443 -0.062 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.690 2.836 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.801 3.061 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.082 2.701 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.267 1.418 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.795 2.189 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.211 0.524 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.619 1.198 0.297 1.00 0.00 H new ATOM 840 N SER A 139 -7.021 -0.196 -4.712 1.00 0.00 N ATOM 841 CA SER A 139 -7.037 -1.219 -5.745 1.00 0.00 C ATOM 842 C SER A 139 -5.615 -1.492 -6.237 1.00 0.00 C ATOM 843 O SER A 139 -5.331 -2.541 -6.812 1.00 0.00 O ATOM 844 CB SER A 139 -7.935 -0.765 -6.923 1.00 0.00 C ATOM 845 OG SER A 139 -8.082 -1.783 -7.918 1.00 0.00 O ATOM 0 H SER A 139 -7.329 0.725 -5.025 1.00 0.00 H new ATOM 0 HA SER A 139 -7.444 -2.140 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.918 -0.488 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.507 0.127 -7.380 1.00 0.00 H new ATOM 0 HG SER A 139 -8.370 -1.376 -8.762 1.00 0.00 H new ATOM 851 N ASP A 140 -4.715 -0.583 -5.935 1.00 0.00 N ATOM 852 CA ASP A 140 -3.370 -0.647 -6.472 1.00 0.00 C ATOM 853 C ASP A 140 -2.420 -1.208 -5.415 1.00 0.00 C ATOM 854 O ASP A 140 -1.211 -1.345 -5.636 1.00 0.00 O ATOM 855 CB ASP A 140 -2.929 0.749 -6.929 1.00 0.00 C ATOM 856 CG ASP A 140 -1.758 0.737 -7.873 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.965 0.471 -9.070 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.620 1.025 -7.452 1.00 0.00 O ATOM 0 H ASP A 140 -4.889 0.212 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.349 -1.311 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.770 1.245 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.671 1.343 -6.053 1.00 0.00 H new ATOM 863 N LEU A 141 -2.970 -1.503 -4.253 1.00 0.00 N ATOM 864 CA LEU A 141 -2.222 -2.142 -3.196 1.00 0.00 C ATOM 865 C LEU A 141 -1.956 -3.582 -3.543 1.00 0.00 C ATOM 866 O LEU A 141 -2.571 -4.145 -4.455 1.00 0.00 O ATOM 867 CB LEU A 141 -2.926 -2.051 -1.846 1.00 0.00 C ATOM 868 CG LEU A 141 -3.086 -0.659 -1.254 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.702 -0.746 0.125 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.747 0.049 -1.198 1.00 0.00 C ATOM 0 H LEU A 141 -3.943 -1.306 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.277 -1.607 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.917 -2.494 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.375 -2.663 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.752 -0.080 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.812 0.257 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.681 -1.219 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.057 -1.338 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.879 1.044 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.058 -0.524 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.339 0.137 -2.205 1.00 0.00 H new ATOM 882 N LEU A 142 -1.046 -4.165 -2.841 1.00 0.00 N ATOM 883 CA LEU A 142 -0.616 -5.506 -3.098 1.00 0.00 C ATOM 884 C LEU A 142 -0.579 -6.271 -1.786 1.00 0.00 C ATOM 885 O LEU A 142 -0.609 -5.659 -0.711 1.00 0.00 O ATOM 886 CB LEU A 142 0.775 -5.433 -3.728 1.00 0.00 C ATOM 887 CG LEU A 142 0.868 -4.603 -5.011 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.296 -4.286 -5.337 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.200 -5.316 -6.178 1.00 0.00 C ATOM 0 H LEU A 142 -0.568 -3.720 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.296 -6.022 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.467 -5.018 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 142 1.111 -6.447 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 142 0.337 -3.667 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.338 -3.696 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.739 -3.718 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.852 -5.213 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.282 -4.702 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.691 -6.274 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.852 -5.483 -5.948 1.00 0.00 H new ATOM 901 N SER A 143 -0.520 -7.573 -1.868 1.00 0.00 N ATOM 902 CA SER A 143 -0.489 -8.435 -0.702 1.00 0.00 C ATOM 903 C SER A 143 0.864 -8.290 0.025 1.00 0.00 C ATOM 904 O SER A 143 1.923 -8.234 -0.625 1.00 0.00 O ATOM 905 CB SER A 143 -0.740 -9.875 -1.141 1.00 0.00 C ATOM 906 OG SER A 143 -1.917 -9.958 -1.952 1.00 0.00 O ATOM 0 H SER A 143 -0.491 -8.078 -2.754 1.00 0.00 H new ATOM 0 HA SER A 143 -1.271 -8.146 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 143 0.120 -10.245 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.850 -10.514 -0.265 1.00 0.00 H new ATOM 0 HG SER A 143 -2.061 -10.888 -2.225 1.00 0.00 H new ATOM 912 N PRO A 144 0.846 -8.249 1.373 1.00 0.00 N ATOM 913 CA PRO A 144 2.024 -7.916 2.187 1.00 0.00 C ATOM 914 C PRO A 144 3.208 -8.855 2.062 1.00 0.00 C ATOM 915 O PRO A 144 3.066 -10.085 1.962 1.00 0.00 O ATOM 916 CB PRO A 144 1.521 -7.940 3.614 1.00 0.00 C ATOM 917 CG PRO A 144 0.300 -8.800 3.574 1.00 0.00 C ATOM 918 CD PRO A 144 -0.320 -8.564 2.226 1.00 0.00 C ATOM 0 HA PRO A 144 2.416 -6.958 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.271 -8.349 4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.286 -6.936 3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.557 -9.851 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.391 -8.536 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.855 -9.444 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.036 -7.743 2.250 1.00 0.00 H new ATOM 926 N ILE A 145 4.357 -8.254 2.068 1.00 0.00 N ATOM 927 CA ILE A 145 5.619 -8.941 2.080 1.00 0.00 C ATOM 928 C ILE A 145 6.096 -8.906 3.510 1.00 0.00 C ATOM 929 O ILE A 145 5.871 -7.914 4.215 1.00 0.00 O ATOM 930 CB ILE A 145 6.678 -8.208 1.210 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.126 -7.925 -0.183 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.978 -9.021 1.126 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.094 -7.213 -1.105 1.00 0.00 C ATOM 0 H ILE A 145 4.449 -7.238 2.065 1.00 0.00 H new ATOM 0 HA ILE A 145 5.495 -9.950 1.686 1.00 0.00 H new ATOM 0 HB ILE A 145 6.908 -7.255 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.832 -8.868 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.223 -7.322 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.702 -8.486 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.385 -9.161 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.771 -9.993 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.621 -7.051 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.370 -6.252 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.988 -7.823 -1.235 1.00 0.00 H new ATOM 945 N CYS A 146 6.725 -9.931 3.940 1.00 0.00 N ATOM 946 CA CYS A 146 7.206 -9.981 5.273 1.00 0.00 C ATOM 947 C CYS A 146 8.696 -10.132 5.266 1.00 0.00 C ATOM 948 O CYS A 146 9.227 -11.191 4.932 1.00 0.00 O ATOM 949 CB CYS A 146 6.555 -11.110 6.047 1.00 0.00 C ATOM 950 SG CYS A 146 7.042 -11.198 7.784 1.00 0.00 S ATOM 0 H CYS A 146 6.923 -10.761 3.382 1.00 0.00 H new ATOM 0 HA CYS A 146 6.946 -9.048 5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 146 5.472 -10.996 5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.802 -12.056 5.564 1.00 0.00 H new ATOM 0 HG CYS A 146 6.431 -12.192 8.356 1.00 0.00 H new ATOM 956 N GLU A 147 9.359 -9.066 5.559 1.00 0.00 N ATOM 957 CA GLU A 147 10.767 -9.064 5.673 1.00 0.00 C ATOM 958 C GLU A 147 11.066 -8.792 7.139 1.00 0.00 C ATOM 959 O GLU A 147 10.948 -7.616 7.581 1.00 0.00 O ATOM 960 CB GLU A 147 11.373 -7.977 4.782 1.00 0.00 C ATOM 961 CG GLU A 147 12.865 -8.112 4.562 1.00 0.00 C ATOM 962 CD GLU A 147 13.215 -9.309 3.705 1.00 0.00 C ATOM 963 OE1 GLU A 147 13.181 -9.187 2.457 1.00 0.00 O ATOM 964 OE2 GLU A 147 13.525 -10.387 4.251 1.00 0.00 O ATOM 965 OXT GLU A 147 11.346 -9.743 7.887 1.00 0.00 O ATOM 0 H GLU A 147 8.925 -8.158 5.728 1.00 0.00 H new ATOM 0 HA GLU A 147 11.199 -10.012 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.872 -7.996 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.170 -7.003 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.243 -7.206 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 147 13.365 -8.200 5.526 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.496 2.568 -3.518 1.00 0.00 N HETATM 974 CA 2MR A1148 16.438 2.845 -2.081 1.00 0.00 C HETATM 975 CB 2MR A1148 16.028 1.589 -1.317 1.00 0.00 C HETATM 976 CG 2MR A1148 15.937 1.732 0.204 1.00 0.00 C HETATM 977 CD 2MR A1148 14.626 2.365 0.629 1.00 0.00 C HETATM 978 NE 2MR A1148 13.476 1.571 0.171 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.204 1.843 0.447 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.929 2.940 1.225 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.654 3.506 1.706 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.274 1.055 -0.107 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.829 1.084 -0.007 1.00 0.00 C HETATM 984 C 2MR A1148 17.786 3.319 -1.630 1.00 0.00 C HETATM 985 O 2MR A1148 17.889 4.443 -1.126 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.759 2.578 -1.812 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.534 0.958 1.035 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.458 2.040 -0.376 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.407 0.276 -0.604 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 10.031 3.777 0.853 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.134 2.766 2.315 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.853 4.394 2.306 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.644 0.311 -0.698 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.035 0.751 0.669 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.768 2.339 0.563 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.669 0.749 -0.402 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.599 2.456 1.715 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.559 3.374 0.223 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.058 1.260 -1.690 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.742 0.798 -1.546 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.694 3.617 -1.882 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.756 3.308 -4.170 1.00 0.00 H new HETATM 0 H 2MR A1148 16.276 1.635 -3.867 1.00 0.00 H new