USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -177:sc= -1.3 (180deg=-1.45) USER MOD Single : A 4 LYS NZ :NH3+ -154:sc= -0.473 (180deg=-1.15) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.206 (180deg=-0.952) USER MOD Single : A 9 ASN : amide:sc= -2.75 K(o=-2.8,f=-4.2!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.144 F(o=-0.85,f=0.14) USER MOD Single : A 13 THR OG1 : rot -172:sc= -0.131 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= -0.404 (180deg=-1.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.17 F(o=-5.6!,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.954 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.940 4.373 -3.677 1.00 0.00 N ATOM 2 CA GLU A 1 -15.776 5.583 -3.928 1.00 0.00 C ATOM 3 C GLU A 1 -14.931 6.842 -3.702 1.00 0.00 C ATOM 4 O GLU A 1 -15.064 7.818 -4.413 1.00 0.00 O ATOM 5 CB GLU A 1 -16.981 5.611 -2.987 1.00 0.00 C ATOM 6 CG GLU A 1 -16.871 4.449 -1.998 1.00 0.00 C ATOM 7 CD GLU A 1 -18.055 4.497 -1.029 1.00 0.00 C ATOM 8 OE1 GLU A 1 -19.082 5.000 -1.455 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.867 4.027 0.080 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.497 3.518 -3.879 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.103 4.395 -4.294 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.636 4.361 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.134 5.551 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -17.017 6.559 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -17.906 5.532 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.863 3.500 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.932 4.512 -1.447 1.00 0.00 H new ATOM 18 N ALA A 2 -14.079 6.789 -2.716 1.00 0.00 N ATOM 19 CA ALA A 2 -13.217 7.973 -2.426 1.00 0.00 C ATOM 20 C ALA A 2 -11.877 7.845 -3.155 1.00 0.00 C ATOM 21 O ALA A 2 -10.831 7.977 -2.555 1.00 0.00 O ATOM 22 CB ALA A 2 -12.967 8.048 -0.922 1.00 0.00 C ATOM 0 H ALA A 2 -13.941 5.986 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.721 8.876 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.338 8.910 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.918 8.149 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.466 7.138 -0.591 1.00 0.00 H new ATOM 28 N GLU A 3 -11.944 7.595 -4.439 1.00 0.00 N ATOM 29 CA GLU A 3 -10.687 7.443 -5.239 1.00 0.00 C ATOM 30 C GLU A 3 -9.621 8.450 -4.786 1.00 0.00 C ATOM 31 O GLU A 3 -8.438 8.182 -4.873 1.00 0.00 O ATOM 32 CB GLU A 3 -11.006 7.677 -6.714 1.00 0.00 C ATOM 33 CG GLU A 3 -11.850 6.514 -7.236 1.00 0.00 C ATOM 34 CD GLU A 3 -12.769 7.017 -8.352 1.00 0.00 C ATOM 35 OE1 GLU A 3 -12.342 7.937 -9.030 1.00 0.00 O ATOM 36 OE2 GLU A 3 -13.845 6.453 -8.462 1.00 0.00 O ATOM 0 H GLU A 3 -12.810 7.490 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.296 6.437 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.544 8.617 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.084 7.760 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.204 5.720 -7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.442 6.087 -6.426 1.00 0.00 H new ATOM 43 N LYS A 4 -10.066 9.584 -4.307 1.00 0.00 N ATOM 44 CA LYS A 4 -9.093 10.625 -3.847 1.00 0.00 C ATOM 45 C LYS A 4 -9.049 10.686 -2.314 1.00 0.00 C ATOM 46 O LYS A 4 -9.965 11.176 -1.684 1.00 0.00 O ATOM 47 CB LYS A 4 -9.526 11.985 -4.393 1.00 0.00 C ATOM 48 CG LYS A 4 -8.285 12.783 -4.803 1.00 0.00 C ATOM 49 CD LYS A 4 -8.649 14.266 -4.894 1.00 0.00 C ATOM 50 CE LYS A 4 -9.774 14.445 -5.915 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.495 13.650 -7.144 1.00 0.00 N ATOM 0 H LYS A 4 -11.051 9.834 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.100 10.367 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.187 11.852 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.090 12.531 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.487 12.636 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.911 12.428 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.965 14.636 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.777 14.850 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.722 14.131 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.875 15.499 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.976 14.086 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.470 13.629 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.844 12.679 -7.016 1.00 0.00 H new ATOM 65 N CYS A 5 -7.982 10.187 -1.746 1.00 0.00 N ATOM 66 CA CYS A 5 -7.857 10.226 -0.257 1.00 0.00 C ATOM 67 C CYS A 5 -7.167 11.529 0.165 1.00 0.00 C ATOM 68 O CYS A 5 -7.026 12.443 -0.624 1.00 0.00 O ATOM 69 CB CYS A 5 -7.029 9.028 0.215 1.00 0.00 C ATOM 70 SG CYS A 5 -7.810 7.392 0.158 1.00 0.00 S ATOM 0 H CYS A 5 -7.200 9.759 -2.241 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.848 10.181 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.122 8.988 -0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.720 9.217 1.243 1.00 0.00 H new ATOM 75 N THR A 6 -6.750 11.589 1.398 1.00 0.00 N ATOM 76 CA THR A 6 -6.072 12.827 1.881 1.00 0.00 C ATOM 77 C THR A 6 -4.548 12.693 1.762 1.00 0.00 C ATOM 78 O THR A 6 -3.953 13.164 0.813 1.00 0.00 O ATOM 79 CB THR A 6 -6.450 13.059 3.345 1.00 0.00 C ATOM 80 OG1 THR A 6 -6.673 11.755 3.874 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.789 13.782 3.471 1.00 0.00 C ATOM 0 H THR A 6 -6.847 10.844 2.088 1.00 0.00 H new ATOM 0 HA THR A 6 -6.393 13.670 1.269 1.00 0.00 H new ATOM 0 HB THR A 6 -5.675 13.644 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.920 11.824 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.025 13.930 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.728 14.750 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.571 13.183 3.004 1.00 0.00 H new ATOM 89 N LYS A 7 -3.951 12.051 2.728 1.00 0.00 N ATOM 90 CA LYS A 7 -2.465 11.889 2.701 1.00 0.00 C ATOM 91 C LYS A 7 -2.029 11.093 1.437 1.00 0.00 C ATOM 92 O LYS A 7 -2.765 10.250 0.965 1.00 0.00 O ATOM 93 CB LYS A 7 -2.042 11.119 3.956 1.00 0.00 C ATOM 94 CG LYS A 7 -2.555 11.860 5.195 1.00 0.00 C ATOM 95 CD LYS A 7 -1.362 12.308 6.042 1.00 0.00 C ATOM 96 CE LYS A 7 -1.866 13.177 7.196 1.00 0.00 C ATOM 97 NZ LYS A 7 -2.674 14.315 6.677 1.00 0.00 N ATOM 0 H LYS A 7 -4.422 11.633 3.531 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.991 12.870 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.445 10.107 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.956 11.029 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.150 12.724 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.207 11.210 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.829 11.440 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.655 12.869 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.469 12.575 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.020 13.556 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.680 15.084 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.258 14.659 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.649 13.998 6.503 1.00 0.00 H new ATOM 111 N PRO A 8 -0.831 11.378 0.907 1.00 0.00 N ATOM 112 CA PRO A 8 -0.330 10.662 -0.281 1.00 0.00 C ATOM 113 C PRO A 8 -0.211 9.156 -0.001 1.00 0.00 C ATOM 114 O PRO A 8 -0.592 8.691 1.052 1.00 0.00 O ATOM 115 CB PRO A 8 1.055 11.257 -0.563 1.00 0.00 C ATOM 116 CG PRO A 8 1.362 12.277 0.574 1.00 0.00 C ATOM 117 CD PRO A 8 0.090 12.412 1.428 1.00 0.00 C ATOM 0 HA PRO A 8 -1.006 10.775 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.812 10.473 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.071 11.749 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.198 11.933 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.648 13.242 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.305 12.253 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.343 13.408 1.337 1.00 0.00 H new ATOM 125 N ASN A 9 0.324 8.432 -0.955 1.00 0.00 N ATOM 126 CA ASN A 9 0.475 6.953 -0.767 1.00 0.00 C ATOM 127 C ASN A 9 -0.850 6.344 -0.302 1.00 0.00 C ATOM 128 O ASN A 9 -1.630 5.881 -1.110 1.00 0.00 O ATOM 129 CB ASN A 9 1.568 6.678 0.271 1.00 0.00 C ATOM 130 CG ASN A 9 2.908 7.238 -0.233 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.743 6.517 -0.757 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.154 8.509 -0.087 1.00 0.00 N ATOM 0 H ASN A 9 0.660 8.796 -1.847 1.00 0.00 H new ATOM 0 HA ASN A 9 0.756 6.498 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.304 7.139 1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.654 5.606 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.040 8.897 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.460 9.116 0.350 1.00 0.00 H new ATOM 139 N GLU A 10 -1.073 6.344 0.986 1.00 0.00 N ATOM 140 CA GLU A 10 -2.357 5.780 1.498 1.00 0.00 C ATOM 141 C GLU A 10 -3.509 6.290 0.631 1.00 0.00 C ATOM 142 O GLU A 10 -3.982 7.395 0.814 1.00 0.00 O ATOM 143 CB GLU A 10 -2.563 6.229 2.945 1.00 0.00 C ATOM 144 CG GLU A 10 -1.206 6.288 3.651 1.00 0.00 C ATOM 145 CD GLU A 10 -1.422 6.299 5.166 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.576 6.413 5.547 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.422 6.194 5.857 1.00 0.00 O ATOM 0 H GLU A 10 -0.434 6.703 1.695 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.327 4.691 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.042 7.208 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.226 5.536 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.597 5.430 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.662 7.181 3.343 1.00 0.00 H new ATOM 154 N GLN A 11 -3.931 5.468 -0.300 1.00 0.00 N ATOM 155 CA GLN A 11 -5.037 5.887 -1.214 1.00 0.00 C ATOM 156 C GLN A 11 -6.178 4.875 -1.168 1.00 0.00 C ATOM 157 O GLN A 11 -5.997 3.743 -0.771 1.00 0.00 O ATOM 158 CB GLN A 11 -4.501 5.984 -2.641 1.00 0.00 C ATOM 159 CG GLN A 11 -5.134 7.193 -3.331 1.00 0.00 C ATOM 160 CD GLN A 11 -4.680 7.238 -4.791 1.00 0.00 C ATOM 161 OE1 GLN A 11 -3.500 6.776 -5.101 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 -5.394 7.697 -5.661 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.560 4.532 -0.465 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.415 6.857 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.416 6.083 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.732 5.073 -3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.221 7.128 -3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.844 8.111 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.318 8.060 -5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.070 7.720 -6.628 1.00 0.00 H new ATOM 171 N TRP A 12 -7.328 5.308 -1.586 1.00 0.00 N ATOM 172 CA TRP A 12 -8.502 4.399 -1.569 1.00 0.00 C ATOM 173 C TRP A 12 -8.190 3.083 -2.252 1.00 0.00 C ATOM 174 O TRP A 12 -7.575 3.051 -3.299 1.00 0.00 O ATOM 175 CB TRP A 12 -9.651 5.050 -2.303 1.00 0.00 C ATOM 176 CG TRP A 12 -10.828 4.075 -2.320 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.165 3.318 -3.359 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.652 3.892 -1.319 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.261 2.665 -2.926 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.635 2.977 -1.638 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.620 4.469 -0.070 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.593 2.648 -0.705 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.575 4.141 0.864 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.564 3.231 0.549 1.00 0.00 C ATOM 0 H TRP A 12 -7.507 6.248 -1.938 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.761 4.207 -0.528 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.936 5.980 -1.812 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.355 5.305 -3.321 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.677 3.244 -4.320 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.771 1.996 -3.503 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.845 5.179 0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.366 1.936 -0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.551 4.595 1.844 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.315 2.974 1.281 1.00 0.00 H new ATOM 195 N THR A 13 -8.619 2.022 -1.640 1.00 0.00 N ATOM 196 CA THR A 13 -8.397 0.697 -2.254 1.00 0.00 C ATOM 197 C THR A 13 -9.600 -0.203 -1.966 1.00 0.00 C ATOM 198 O THR A 13 -9.886 -0.517 -0.829 1.00 0.00 O ATOM 199 CB THR A 13 -7.119 0.064 -1.688 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.297 -1.337 -1.874 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.005 0.256 -0.176 1.00 0.00 C ATOM 0 H THR A 13 -9.111 2.017 -0.746 1.00 0.00 H new ATOM 0 HA THR A 13 -8.282 0.812 -3.332 1.00 0.00 H new ATOM 0 HB THR A 13 -6.247 0.504 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.574 -1.821 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.086 -0.208 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.988 1.321 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.860 -0.208 0.315 1.00 0.00 H new ATOM 209 N LYS A 14 -10.289 -0.586 -3.001 1.00 0.00 N ATOM 210 CA LYS A 14 -11.473 -1.460 -2.794 1.00 0.00 C ATOM 211 C LYS A 14 -11.042 -2.775 -2.137 1.00 0.00 C ATOM 212 O LYS A 14 -11.853 -3.487 -1.576 1.00 0.00 O ATOM 213 CB LYS A 14 -12.130 -1.741 -4.144 1.00 0.00 C ATOM 214 CG LYS A 14 -12.493 -0.411 -4.807 1.00 0.00 C ATOM 215 CD LYS A 14 -13.794 -0.583 -5.595 1.00 0.00 C ATOM 216 CE LYS A 14 -14.133 0.732 -6.304 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.381 0.495 -7.754 1.00 0.00 N ATOM 0 H LYS A 14 -10.088 -0.336 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.187 -0.960 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.452 -2.307 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.023 -2.350 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.611 0.366 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.690 -0.091 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.688 -1.386 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.604 -0.867 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.015 1.181 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.314 1.440 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.609 1.397 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.529 0.087 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.178 -0.164 -7.867 1.00 0.00 H new ATOM 231 N CYS A 15 -9.768 -3.065 -2.221 1.00 0.00 N ATOM 232 CA CYS A 15 -9.253 -4.318 -1.597 1.00 0.00 C ATOM 233 C CYS A 15 -7.914 -4.049 -0.905 1.00 0.00 C ATOM 234 O CYS A 15 -6.882 -4.000 -1.544 1.00 0.00 O ATOM 235 CB CYS A 15 -9.054 -5.375 -2.677 1.00 0.00 C ATOM 236 SG CYS A 15 -7.649 -6.503 -2.472 1.00 0.00 S ATOM 0 H CYS A 15 -9.068 -2.492 -2.692 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.974 -4.670 -0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.963 -5.973 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.943 -4.865 -3.634 1.00 0.00 H new ATOM 241 N GLY A 16 -7.958 -3.883 0.387 1.00 0.00 N ATOM 242 CA GLY A 16 -6.694 -3.623 1.133 1.00 0.00 C ATOM 243 C GLY A 16 -6.010 -4.944 1.487 1.00 0.00 C ATOM 244 O GLY A 16 -6.204 -5.942 0.820 1.00 0.00 O ATOM 0 H GLY A 16 -8.805 -3.915 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.026 -3.009 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.908 -3.061 2.042 1.00 0.00 H new ATOM 248 N GLY A 17 -5.224 -4.919 2.537 1.00 0.00 N ATOM 249 CA GLY A 17 -4.512 -6.164 2.965 1.00 0.00 C ATOM 250 C GLY A 17 -2.998 -5.970 2.871 1.00 0.00 C ATOM 251 O GLY A 17 -2.483 -4.919 3.197 1.00 0.00 O ATOM 0 H GLY A 17 -5.046 -4.096 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.790 -6.416 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.818 -7.000 2.336 1.00 0.00 H new ATOM 255 N CYS A 18 -2.316 -6.989 2.425 1.00 0.00 N ATOM 256 CA CYS A 18 -0.834 -6.880 2.307 1.00 0.00 C ATOM 257 C CYS A 18 -0.457 -6.244 0.964 1.00 0.00 C ATOM 258 O CYS A 18 -1.270 -6.163 0.064 1.00 0.00 O ATOM 259 CB CYS A 18 -0.216 -8.272 2.392 1.00 0.00 C ATOM 260 SG CYS A 18 -1.086 -9.522 3.365 1.00 0.00 S ATOM 0 H CYS A 18 -2.715 -7.883 2.140 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.459 -6.256 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.108 -8.653 1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.789 -8.168 2.802 1.00 0.00 H new ATOM 265 N GLU A 19 0.772 -5.810 0.863 1.00 0.00 N ATOM 266 CA GLU A 19 1.237 -5.178 -0.409 1.00 0.00 C ATOM 267 C GLU A 19 2.624 -5.716 -0.779 1.00 0.00 C ATOM 268 O GLU A 19 3.009 -6.783 -0.347 1.00 0.00 O ATOM 269 CB GLU A 19 1.306 -3.660 -0.218 1.00 0.00 C ATOM 270 CG GLU A 19 -0.097 -3.118 0.076 1.00 0.00 C ATOM 271 CD GLU A 19 -0.202 -2.758 1.560 1.00 0.00 C ATOM 272 OE1 GLU A 19 0.676 -2.038 2.006 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.154 -3.223 2.164 1.00 0.00 O ATOM 0 H GLU A 19 1.472 -5.865 1.603 1.00 0.00 H new ATOM 0 HA GLU A 19 0.539 -5.416 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.981 -3.416 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.710 -3.188 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.295 -2.239 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.849 -3.864 -0.183 1.00 0.00 H new ATOM 280 N GLY A 20 3.342 -4.970 -1.572 1.00 0.00 N ATOM 281 CA GLY A 20 4.698 -5.431 -1.982 1.00 0.00 C ATOM 282 C GLY A 20 5.781 -4.776 -1.129 1.00 0.00 C ATOM 283 O GLY A 20 5.503 -4.188 -0.102 1.00 0.00 O ATOM 0 H GLY A 20 3.052 -4.069 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.761 -6.515 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.864 -5.193 -3.033 1.00 0.00 H new ATOM 287 N THR A 21 6.995 -4.895 -1.581 1.00 0.00 N ATOM 288 CA THR A 21 8.126 -4.289 -0.829 1.00 0.00 C ATOM 289 C THR A 21 9.161 -3.752 -1.819 1.00 0.00 C ATOM 290 O THR A 21 8.922 -3.725 -3.010 1.00 0.00 O ATOM 291 CB THR A 21 8.772 -5.358 0.058 1.00 0.00 C ATOM 292 OG1 THR A 21 9.361 -6.280 -0.856 1.00 0.00 O ATOM 293 CG2 THR A 21 7.723 -6.161 0.823 1.00 0.00 C ATOM 0 H THR A 21 7.254 -5.385 -2.437 1.00 0.00 H new ATOM 0 HA THR A 21 7.760 -3.472 -0.207 1.00 0.00 H new ATOM 0 HB THR A 21 9.457 -4.891 0.766 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.800 -7.000 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.218 -6.910 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.144 -5.491 1.458 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.057 -6.657 0.116 1.00 0.00 H new ATOM 301 N CYS A 22 10.288 -3.338 -1.317 1.00 0.00 N ATOM 302 CA CYS A 22 11.334 -2.812 -2.236 1.00 0.00 C ATOM 303 C CYS A 22 12.037 -3.981 -2.927 1.00 0.00 C ATOM 304 O CYS A 22 12.979 -3.797 -3.671 1.00 0.00 O ATOM 305 CB CYS A 22 12.350 -1.995 -1.439 1.00 0.00 C ATOM 306 SG CYS A 22 13.595 -1.081 -2.377 1.00 0.00 S ATOM 0 H CYS A 22 10.529 -3.340 -0.326 1.00 0.00 H new ATOM 0 HA CYS A 22 10.872 -2.173 -2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.801 -1.283 -0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.869 -2.671 -0.759 1.00 0.00 H new ATOM 311 N ALA A 23 11.555 -5.165 -2.659 1.00 0.00 N ATOM 312 CA ALA A 23 12.167 -6.370 -3.282 1.00 0.00 C ATOM 313 C ALA A 23 11.081 -7.398 -3.629 1.00 0.00 C ATOM 314 O ALA A 23 11.375 -8.491 -4.071 1.00 0.00 O ATOM 315 CB ALA A 23 13.154 -6.987 -2.294 1.00 0.00 C ATOM 0 H ALA A 23 10.767 -5.348 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 23 12.682 -6.082 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.609 -7.872 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.931 -6.261 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.628 -7.270 -1.382 1.00 0.00 H new ATOM 321 N GLN A 24 9.844 -7.022 -3.422 1.00 0.00 N ATOM 322 CA GLN A 24 8.725 -7.963 -3.735 1.00 0.00 C ATOM 323 C GLN A 24 7.461 -7.175 -4.100 1.00 0.00 C ATOM 324 O GLN A 24 6.635 -6.894 -3.255 1.00 0.00 O ATOM 325 CB GLN A 24 8.443 -8.835 -2.509 1.00 0.00 C ATOM 326 CG GLN A 24 9.654 -9.728 -2.231 1.00 0.00 C ATOM 327 CD GLN A 24 9.252 -10.835 -1.254 1.00 0.00 C ATOM 328 OE1 GLN A 24 8.154 -10.701 -0.562 1.00 0.00 O flip ATOM 329 NE2 GLN A 24 9.933 -11.831 -1.113 1.00 0.00 N flip ATOM 0 H GLN A 24 9.562 -6.114 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 24 9.009 -8.590 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.234 -8.207 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.558 -9.447 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.021 -10.163 -3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.468 -9.136 -1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.792 -11.942 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.645 -12.557 -0.457 1.00 0.00 H new ATOM 338 N LYS A 25 7.339 -6.838 -5.354 1.00 0.00 N ATOM 339 CA LYS A 25 6.141 -6.061 -5.794 1.00 0.00 C ATOM 340 C LYS A 25 4.862 -6.682 -5.211 1.00 0.00 C ATOM 341 O LYS A 25 3.898 -5.990 -4.957 1.00 0.00 O ATOM 342 CB LYS A 25 6.082 -6.075 -7.327 1.00 0.00 C ATOM 343 CG LYS A 25 5.434 -4.775 -7.841 1.00 0.00 C ATOM 344 CD LYS A 25 3.966 -4.712 -7.399 1.00 0.00 C ATOM 345 CE LYS A 25 3.148 -3.994 -8.477 1.00 0.00 C ATOM 346 NZ LYS A 25 3.246 -4.716 -9.777 1.00 0.00 N ATOM 0 H LYS A 25 8.009 -7.063 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 25 6.217 -5.034 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.087 -6.177 -7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.509 -6.937 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.976 -3.911 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.497 -4.732 -8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.578 -5.718 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.882 -4.184 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.105 -3.931 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.508 -2.972 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.335 -4.658 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.989 -4.281 -10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.482 -5.714 -9.603 1.00 0.00 H new ATOM 360 N ILE A 26 4.886 -7.978 -5.017 1.00 0.00 N ATOM 361 CA ILE A 26 3.684 -8.670 -4.440 1.00 0.00 C ATOM 362 C ILE A 26 4.123 -9.615 -3.311 1.00 0.00 C ATOM 363 O ILE A 26 4.922 -10.506 -3.524 1.00 0.00 O ATOM 364 CB ILE A 26 2.994 -9.497 -5.535 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.446 -8.569 -6.645 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.849 -10.305 -4.918 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.401 -7.579 -6.085 1.00 0.00 C ATOM 0 H ILE A 26 5.677 -8.585 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 26 2.996 -7.921 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 26 3.721 -10.177 -5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.269 -8.015 -7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.994 -9.170 -7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.359 -10.892 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.246 -10.973 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.126 -9.625 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.036 -6.941 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.567 -8.134 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.861 -6.962 -5.314 1.00 0.00 H new ATOM 379 N VAL A 27 3.591 -9.402 -2.135 1.00 0.00 N ATOM 380 CA VAL A 27 3.971 -10.286 -0.988 1.00 0.00 C ATOM 381 C VAL A 27 2.894 -11.401 -0.804 1.00 0.00 C ATOM 382 O VAL A 27 1.715 -11.109 -0.813 1.00 0.00 O ATOM 383 CB VAL A 27 4.043 -9.431 0.280 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.624 -9.124 0.764 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.792 -10.199 1.372 1.00 0.00 C ATOM 0 H VAL A 27 2.919 -8.666 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 27 4.936 -10.754 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 27 4.568 -8.501 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.671 -8.515 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.084 -8.581 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.104 -10.057 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.843 -9.590 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.265 -11.128 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.802 -10.426 1.030 1.00 0.00 H new ATOM 395 N PRO A 28 3.308 -12.667 -0.641 1.00 0.00 N ATOM 396 CA PRO A 28 2.336 -13.762 -0.462 1.00 0.00 C ATOM 397 C PRO A 28 1.450 -13.525 0.772 1.00 0.00 C ATOM 398 O PRO A 28 1.913 -13.059 1.794 1.00 0.00 O ATOM 399 CB PRO A 28 3.177 -15.029 -0.272 1.00 0.00 C ATOM 400 CG PRO A 28 4.676 -14.608 -0.321 1.00 0.00 C ATOM 401 CD PRO A 28 4.722 -13.100 -0.626 1.00 0.00 C ATOM 0 HA PRO A 28 1.665 -13.836 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.943 -15.505 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.957 -15.756 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.166 -14.822 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.208 -15.171 -1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.291 -12.562 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.204 -12.906 -1.584 1.00 0.00 H new ATOM 409 N CYS A 29 0.194 -13.858 0.641 1.00 0.00 N ATOM 410 CA CYS A 29 -0.747 -13.676 1.786 1.00 0.00 C ATOM 411 C CYS A 29 -2.033 -14.468 1.535 1.00 0.00 C ATOM 412 O CYS A 29 -2.787 -14.164 0.633 1.00 0.00 O ATOM 413 CB CYS A 29 -1.083 -12.193 1.941 1.00 0.00 C ATOM 414 SG CYS A 29 -0.030 -11.214 3.039 1.00 0.00 S ATOM 0 H CYS A 29 -0.221 -14.247 -0.206 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.274 -14.040 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.056 -11.736 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.109 -12.115 2.300 1.00 0.00 H new ATOM 419 N THR A 30 -2.255 -15.470 2.341 1.00 0.00 N ATOM 420 CA THR A 30 -3.483 -16.301 2.161 1.00 0.00 C ATOM 421 C THR A 30 -4.742 -15.454 2.379 1.00 0.00 C ATOM 422 O THR A 30 -5.824 -15.839 1.984 1.00 0.00 O ATOM 423 CB THR A 30 -3.459 -17.450 3.171 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.976 -16.887 4.373 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.030 -17.873 3.506 1.00 0.00 C ATOM 0 H THR A 30 -1.646 -15.749 3.110 1.00 0.00 H new ATOM 0 HA THR A 30 -3.501 -16.695 1.145 1.00 0.00 H new ATOM 0 HB THR A 30 -4.007 -18.305 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.993 -17.572 5.074 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.052 -18.691 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.526 -18.203 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.491 -17.028 3.934 1.00 0.00 H new ATOM 433 N ARG A 31 -4.575 -14.320 3.004 1.00 0.00 N ATOM 434 CA ARG A 31 -5.760 -13.445 3.256 1.00 0.00 C ATOM 435 C ARG A 31 -6.516 -13.186 1.946 1.00 0.00 C ATOM 436 O ARG A 31 -6.166 -13.721 0.912 1.00 0.00 O ATOM 437 CB ARG A 31 -5.286 -12.115 3.848 1.00 0.00 C ATOM 438 CG ARG A 31 -5.255 -12.221 5.381 1.00 0.00 C ATOM 439 CD ARG A 31 -6.689 -12.275 5.932 1.00 0.00 C ATOM 440 NE ARG A 31 -6.879 -11.160 6.901 1.00 0.00 N ATOM 441 CZ ARG A 31 -8.083 -10.858 7.301 1.00 0.00 C ATOM 442 NH1 ARG A 31 -8.959 -10.462 6.418 1.00 0.00 N ATOM 443 NH2 ARG A 31 -8.373 -10.965 8.570 1.00 0.00 N ATOM 0 H ARG A 31 -3.683 -13.963 3.348 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.431 -13.943 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.294 -11.869 3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.953 -11.309 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.707 -13.114 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.726 -11.366 5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.409 -12.192 5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.869 -13.233 6.420 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.075 -10.637 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.697 -10.393 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.906 -10.221 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.663 -11.281 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.310 -10.733 8.900 1.00 0.00 H new ATOM 457 N GLU A 32 -7.536 -12.365 2.025 1.00 0.00 N ATOM 458 CA GLU A 32 -8.340 -12.057 0.801 1.00 0.00 C ATOM 459 C GLU A 32 -8.172 -10.586 0.407 1.00 0.00 C ATOM 460 O GLU A 32 -7.454 -10.266 -0.518 1.00 0.00 O ATOM 461 CB GLU A 32 -9.814 -12.336 1.093 1.00 0.00 C ATOM 462 CG GLU A 32 -10.088 -13.829 0.904 1.00 0.00 C ATOM 463 CD GLU A 32 -11.558 -14.117 1.216 1.00 0.00 C ATOM 464 OE1 GLU A 32 -12.355 -13.241 0.927 1.00 0.00 O ATOM 465 OE2 GLU A 32 -11.801 -15.199 1.725 1.00 0.00 O ATOM 0 H GLU A 32 -7.845 -11.898 2.878 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.993 -12.682 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.059 -12.035 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.447 -11.750 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.856 -14.126 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.444 -14.415 1.560 1.00 0.00 H new ATOM 472 N CYS A 33 -8.841 -9.725 1.122 1.00 0.00 N ATOM 473 CA CYS A 33 -8.740 -8.270 0.800 1.00 0.00 C ATOM 474 C CYS A 33 -9.427 -7.439 1.890 1.00 0.00 C ATOM 475 O CYS A 33 -10.638 -7.391 1.960 1.00 0.00 O ATOM 476 CB CYS A 33 -9.435 -8.007 -0.539 1.00 0.00 C ATOM 477 SG CYS A 33 -8.487 -8.294 -2.053 1.00 0.00 S ATOM 0 H CYS A 33 -9.448 -9.960 1.908 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.689 -7.988 0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.329 -8.630 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.769 -6.969 -0.545 1.00 0.00 H new ATOM 482 N LYS A 34 -8.640 -6.801 2.721 1.00 0.00 N ATOM 483 CA LYS A 34 -9.247 -5.966 3.800 1.00 0.00 C ATOM 484 C LYS A 34 -10.377 -5.100 3.192 1.00 0.00 C ATOM 485 O LYS A 34 -10.336 -4.784 2.019 1.00 0.00 O ATOM 486 CB LYS A 34 -8.156 -5.064 4.390 1.00 0.00 C ATOM 487 CG LYS A 34 -7.331 -5.865 5.410 1.00 0.00 C ATOM 488 CD LYS A 34 -7.997 -5.789 6.789 1.00 0.00 C ATOM 489 CE LYS A 34 -7.110 -6.500 7.813 1.00 0.00 C ATOM 490 NZ LYS A 34 -6.690 -5.555 8.885 1.00 0.00 N ATOM 0 H LYS A 34 -7.620 -6.821 2.700 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.664 -6.598 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.510 -4.689 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.607 -4.196 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.251 -6.904 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.317 -5.469 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.145 -4.749 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.982 -6.255 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.651 -7.339 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.231 -6.911 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.089 -6.054 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.156 -4.768 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.532 -5.182 9.369 1.00 0.00 H new ATOM 504 N PRO A 35 -11.369 -4.727 3.995 1.00 0.00 N ATOM 505 CA PRO A 35 -12.481 -3.914 3.487 1.00 0.00 C ATOM 506 C PRO A 35 -11.952 -2.629 2.802 1.00 0.00 C ATOM 507 O PRO A 35 -10.809 -2.258 2.975 1.00 0.00 O ATOM 508 CB PRO A 35 -13.322 -3.563 4.721 1.00 0.00 C ATOM 509 CG PRO A 35 -12.666 -4.266 5.948 1.00 0.00 C ATOM 510 CD PRO A 35 -11.457 -5.065 5.428 1.00 0.00 C ATOM 0 HA PRO A 35 -13.064 -4.448 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.354 -2.484 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.351 -3.898 4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.351 -3.531 6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.380 -4.927 6.439 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.544 -4.789 5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.599 -6.136 5.574 1.00 0.00 H new ATOM 518 N PRO A 36 -12.812 -1.977 2.032 1.00 0.00 N ATOM 519 CA PRO A 36 -12.439 -0.739 1.324 1.00 0.00 C ATOM 520 C PRO A 36 -11.961 0.344 2.303 1.00 0.00 C ATOM 521 O PRO A 36 -12.621 0.629 3.282 1.00 0.00 O ATOM 522 CB PRO A 36 -13.721 -0.276 0.625 1.00 0.00 C ATOM 523 CG PRO A 36 -14.840 -1.304 0.966 1.00 0.00 C ATOM 524 CD PRO A 36 -14.203 -2.417 1.812 1.00 0.00 C ATOM 0 HA PRO A 36 -11.619 -0.915 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.002 0.722 0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.570 -0.218 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.650 -0.822 1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.273 -1.716 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.731 -2.546 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.237 -3.376 1.294 1.00 0.00 H new ATOM 532 N ARG A 37 -10.823 0.929 2.012 1.00 0.00 N ATOM 533 CA ARG A 37 -10.295 2.004 2.920 1.00 0.00 C ATOM 534 C ARG A 37 -9.019 2.630 2.336 1.00 0.00 C ATOM 535 O ARG A 37 -8.363 2.045 1.499 1.00 0.00 O ATOM 536 CB ARG A 37 -9.965 1.401 4.292 1.00 0.00 C ATOM 537 CG ARG A 37 -10.158 2.473 5.367 1.00 0.00 C ATOM 538 CD ARG A 37 -9.272 2.143 6.570 1.00 0.00 C ATOM 539 NE ARG A 37 -9.638 3.038 7.702 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.718 3.773 8.264 1.00 0.00 C ATOM 541 NH1 ARG A 37 -7.566 3.230 8.553 1.00 0.00 N ATOM 542 NH2 ARG A 37 -8.977 5.026 8.519 1.00 0.00 N ATOM 0 H ARG A 37 -10.244 0.716 1.200 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.059 2.775 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.611 0.546 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.938 1.035 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.901 3.455 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.204 2.516 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.402 1.100 6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.221 2.274 6.311 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.601 3.076 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.398 2.247 8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.835 3.789 8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.888 5.417 8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.269 5.614 8.958 1.00 0.00 H new ATOM 556 N CYS A 38 -8.708 3.822 2.785 1.00 0.00 N ATOM 557 CA CYS A 38 -7.461 4.493 2.295 1.00 0.00 C ATOM 558 C CYS A 38 -6.234 3.736 2.814 1.00 0.00 C ATOM 559 O CYS A 38 -6.024 3.634 4.006 1.00 0.00 O ATOM 560 CB CYS A 38 -7.428 5.937 2.802 1.00 0.00 C ATOM 561 SG CYS A 38 -8.556 7.124 2.020 1.00 0.00 S ATOM 0 H CYS A 38 -9.255 4.355 3.461 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.450 4.491 1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.642 5.923 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.411 6.312 2.685 1.00 0.00 H new ATOM 566 N GLU A 39 -5.449 3.220 1.905 1.00 0.00 N ATOM 567 CA GLU A 39 -4.240 2.454 2.337 1.00 0.00 C ATOM 568 C GLU A 39 -3.260 2.289 1.169 1.00 0.00 C ATOM 569 O GLU A 39 -3.577 2.598 0.036 1.00 0.00 O ATOM 570 CB GLU A 39 -4.684 1.075 2.832 1.00 0.00 C ATOM 571 CG GLU A 39 -3.467 0.296 3.341 1.00 0.00 C ATOM 572 CD GLU A 39 -3.930 -0.780 4.326 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.318 -1.830 3.838 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.868 -0.492 5.510 1.00 0.00 O ATOM 0 H GLU A 39 -5.588 3.293 0.897 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.735 2.998 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.419 1.183 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.168 0.526 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.939 -0.163 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.765 0.973 3.828 1.00 0.00 H new ATOM 581 N CYS A 40 -2.087 1.804 1.474 1.00 0.00 N ATOM 582 CA CYS A 40 -1.060 1.611 0.406 1.00 0.00 C ATOM 583 C CYS A 40 -1.663 0.885 -0.801 1.00 0.00 C ATOM 584 O CYS A 40 -2.702 0.262 -0.701 1.00 0.00 O ATOM 585 CB CYS A 40 0.088 0.783 0.971 1.00 0.00 C ATOM 586 SG CYS A 40 1.764 1.242 0.477 1.00 0.00 S ATOM 0 H CYS A 40 -1.794 1.533 2.413 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.700 2.586 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.033 0.828 2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.074 -0.257 0.687 1.00 0.00 H new ATOM 591 N ILE A 41 -0.984 0.979 -1.917 1.00 0.00 N ATOM 592 CA ILE A 41 -1.484 0.307 -3.156 1.00 0.00 C ATOM 593 C ILE A 41 -0.320 -0.373 -3.890 1.00 0.00 C ATOM 594 O ILE A 41 0.532 0.287 -4.448 1.00 0.00 O ATOM 595 CB ILE A 41 -2.115 1.357 -4.075 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.189 2.131 -3.307 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.754 0.661 -5.279 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.584 3.434 -2.780 1.00 0.00 C ATOM 0 H ILE A 41 -0.108 1.490 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.224 -0.446 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.345 2.048 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.036 2.346 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.567 1.530 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.204 1.407 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.991 0.109 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.523 -0.030 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.343 3.992 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.750 3.206 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.227 4.034 -3.617 1.00 0.00 H new ATOM 610 N ALA A 42 -0.311 -1.676 -3.881 1.00 0.00 N ATOM 611 CA ALA A 42 0.796 -2.403 -4.574 1.00 0.00 C ATOM 612 C ALA A 42 0.621 -2.321 -6.096 1.00 0.00 C ATOM 613 O ALA A 42 1.573 -2.120 -6.823 1.00 0.00 O ATOM 614 CB ALA A 42 0.782 -3.871 -4.140 1.00 0.00 C ATOM 0 H ALA A 42 -1.011 -2.266 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 42 1.746 -1.942 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.587 -4.407 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.923 -3.933 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.174 -4.320 -4.407 1.00 0.00 H new ATOM 620 N SER A 43 -0.597 -2.467 -6.540 1.00 0.00 N ATOM 621 CA SER A 43 -0.860 -2.424 -8.012 1.00 0.00 C ATOM 622 C SER A 43 -0.376 -1.103 -8.622 1.00 0.00 C ATOM 623 O SER A 43 -0.300 -0.973 -9.829 1.00 0.00 O ATOM 624 CB SER A 43 -2.362 -2.571 -8.251 1.00 0.00 C ATOM 625 OG SER A 43 -2.873 -1.260 -8.064 1.00 0.00 O ATOM 0 H SER A 43 -1.419 -2.613 -5.954 1.00 0.00 H new ATOM 0 HA SER A 43 -0.316 -3.240 -8.488 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.571 -2.941 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.810 -3.277 -7.551 1.00 0.00 H new ATOM 0 HG SER A 43 -3.843 -1.264 -8.202 1.00 0.00 H new ATOM 631 N ALA A 44 -0.059 -0.152 -7.785 1.00 0.00 N ATOM 632 CA ALA A 44 0.415 1.162 -8.324 1.00 0.00 C ATOM 633 C ALA A 44 1.944 1.213 -8.341 1.00 0.00 C ATOM 634 O ALA A 44 2.538 1.686 -9.288 1.00 0.00 O ATOM 635 CB ALA A 44 -0.120 2.288 -7.446 1.00 0.00 C ATOM 0 H ALA A 44 -0.105 -0.222 -6.768 1.00 0.00 H new ATOM 0 HA ALA A 44 0.049 1.279 -9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.223 3.247 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.210 2.264 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.244 2.159 -6.427 1.00 0.00 H new ATOM 641 N GLY A 45 2.545 0.721 -7.288 1.00 0.00 N ATOM 642 CA GLY A 45 4.037 0.731 -7.218 1.00 0.00 C ATOM 643 C GLY A 45 4.513 1.197 -5.838 1.00 0.00 C ATOM 644 O GLY A 45 5.635 1.642 -5.686 1.00 0.00 O ATOM 0 H GLY A 45 2.072 0.316 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.422 -0.268 -7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.437 1.391 -7.988 1.00 0.00 H new ATOM 648 N PHE A 46 3.654 1.095 -4.861 1.00 0.00 N ATOM 649 CA PHE A 46 4.057 1.522 -3.489 1.00 0.00 C ATOM 650 C PHE A 46 4.665 0.336 -2.735 1.00 0.00 C ATOM 651 O PHE A 46 4.317 -0.802 -2.987 1.00 0.00 O ATOM 652 CB PHE A 46 2.832 2.043 -2.739 1.00 0.00 C ATOM 653 CG PHE A 46 2.419 3.397 -3.326 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.971 4.573 -2.844 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.486 3.463 -4.346 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.594 5.790 -3.376 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.114 4.682 -4.874 1.00 0.00 C ATOM 658 CZ PHE A 46 1.668 5.842 -4.390 1.00 0.00 C ATOM 0 H PHE A 46 2.702 0.739 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 46 4.801 2.316 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.010 1.332 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.058 2.147 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.700 4.537 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.046 2.555 -4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.028 6.703 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.385 4.724 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.376 6.795 -4.806 1.00 0.00 H new ATOM 668 N VAL A 47 5.565 0.627 -1.830 1.00 0.00 N ATOM 669 CA VAL A 47 6.222 -0.475 -1.056 1.00 0.00 C ATOM 670 C VAL A 47 6.261 -0.141 0.434 1.00 0.00 C ATOM 671 O VAL A 47 6.192 1.007 0.816 1.00 0.00 O ATOM 672 CB VAL A 47 7.651 -0.654 -1.562 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.612 -1.263 -2.959 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.340 0.711 -1.624 1.00 0.00 C ATOM 0 H VAL A 47 5.873 1.570 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 47 5.649 -1.392 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 47 8.202 -1.311 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.629 -1.394 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.113 -2.231 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.066 -0.600 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.361 0.587 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.792 1.365 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.358 1.155 -0.629 1.00 0.00 H new ATOM 684 N ARG A 48 6.378 -1.160 1.244 1.00 0.00 N ATOM 685 CA ARG A 48 6.430 -0.928 2.715 1.00 0.00 C ATOM 686 C ARG A 48 7.878 -0.989 3.208 1.00 0.00 C ATOM 687 O ARG A 48 8.538 -2.001 3.083 1.00 0.00 O ATOM 688 CB ARG A 48 5.608 -2.005 3.422 1.00 0.00 C ATOM 689 CG ARG A 48 4.122 -1.697 3.251 1.00 0.00 C ATOM 690 CD ARG A 48 3.302 -2.844 3.844 1.00 0.00 C ATOM 691 NE ARG A 48 3.478 -2.850 5.323 1.00 0.00 N ATOM 692 CZ ARG A 48 2.931 -1.904 6.038 1.00 0.00 C ATOM 693 NH1 ARG A 48 2.154 -1.037 5.448 1.00 0.00 N ATOM 694 NH2 ARG A 48 3.179 -1.858 7.318 1.00 0.00 N ATOM 0 H ARG A 48 6.439 -2.136 0.952 1.00 0.00 H new ATOM 0 HA ARG A 48 6.021 0.058 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.838 -2.986 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.865 -2.039 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.872 -0.760 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.883 -1.571 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.249 -2.724 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.625 -3.796 3.422 1.00 0.00 H new ATOM 0 HE ARG A 48 4.021 -3.587 5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.983 -1.105 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.718 -0.291 5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.791 -2.554 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.761 -1.126 7.893 1.00 0.00 H new ATOM 708 N ASP A 49 8.344 0.101 3.758 1.00 0.00 N ATOM 709 CA ASP A 49 9.744 0.117 4.268 1.00 0.00 C ATOM 710 C ASP A 49 9.856 -0.776 5.500 1.00 0.00 C ATOM 711 O ASP A 49 8.898 -0.949 6.230 1.00 0.00 O ATOM 712 CB ASP A 49 10.128 1.545 4.643 1.00 0.00 C ATOM 713 CG ASP A 49 11.648 1.686 4.601 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.260 1.249 5.563 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.115 2.223 3.610 1.00 0.00 O ATOM 0 H ASP A 49 7.823 0.970 3.875 1.00 0.00 H new ATOM 0 HA ASP A 49 10.414 -0.254 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.666 2.251 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.756 1.784 5.639 1.00 0.00 H new ATOM 720 N ALA A 50 11.027 -1.314 5.711 1.00 0.00 N ATOM 721 CA ALA A 50 11.228 -2.207 6.885 1.00 0.00 C ATOM 722 C ALA A 50 10.593 -1.584 8.125 1.00 0.00 C ATOM 723 O ALA A 50 10.237 -2.273 9.060 1.00 0.00 O ATOM 724 CB ALA A 50 12.725 -2.399 7.120 1.00 0.00 C ATOM 0 H ALA A 50 11.849 -1.174 5.123 1.00 0.00 H new ATOM 0 HA ALA A 50 10.759 -3.172 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.878 -3.052 7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.177 -2.850 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.190 -1.432 7.312 1.00 0.00 H new ATOM 730 N GLN A 51 10.468 -0.288 8.106 1.00 0.00 N ATOM 731 CA GLN A 51 9.854 0.402 9.275 1.00 0.00 C ATOM 732 C GLN A 51 8.331 0.368 9.153 1.00 0.00 C ATOM 733 O GLN A 51 7.638 1.182 9.733 1.00 0.00 O ATOM 734 CB GLN A 51 10.332 1.853 9.309 1.00 0.00 C ATOM 735 CG GLN A 51 11.789 1.890 9.773 1.00 0.00 C ATOM 736 CD GLN A 51 12.246 3.347 9.882 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.967 3.847 9.042 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.851 4.059 10.902 1.00 0.00 N ATOM 0 H GLN A 51 10.761 0.319 7.341 1.00 0.00 H new ATOM 0 HA GLN A 51 10.150 -0.104 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.241 2.302 8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.708 2.439 9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.889 1.392 10.737 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.421 1.350 9.068 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.245 3.644 11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.148 5.031 10.991 1.00 0.00 H new ATOM 747 N GLY A 52 7.839 -0.577 8.398 1.00 0.00 N ATOM 748 CA GLY A 52 6.368 -0.678 8.218 1.00 0.00 C ATOM 749 C GLY A 52 5.809 0.659 7.739 1.00 0.00 C ATOM 750 O GLY A 52 4.744 1.072 8.155 1.00 0.00 O ATOM 0 H GLY A 52 8.390 -1.278 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.134 -1.459 7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.897 -0.963 9.159 1.00 0.00 H new ATOM 754 N ASN A 53 6.546 1.306 6.867 1.00 0.00 N ATOM 755 CA ASN A 53 6.082 2.637 6.344 1.00 0.00 C ATOM 756 C ASN A 53 5.795 2.554 4.843 1.00 0.00 C ATOM 757 O ASN A 53 6.670 2.265 4.056 1.00 0.00 O ATOM 758 CB ASN A 53 7.168 3.679 6.594 1.00 0.00 C ATOM 759 CG ASN A 53 7.104 4.136 8.054 1.00 0.00 C ATOM 760 OD1 ASN A 53 7.868 3.550 8.934 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 6.359 5.029 8.404 1.00 0.00 N flip ATOM 0 H ASN A 53 7.438 0.978 6.497 1.00 0.00 H new ATOM 0 HA ASN A 53 5.165 2.920 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.149 3.258 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.031 4.531 5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.760 5.491 7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.333 5.317 9.382 1.00 0.00 H new ATOM 768 N CYS A 54 4.573 2.821 4.478 1.00 0.00 N ATOM 769 CA CYS A 54 4.206 2.759 3.031 1.00 0.00 C ATOM 770 C CYS A 54 4.807 3.951 2.277 1.00 0.00 C ATOM 771 O CYS A 54 4.563 5.089 2.619 1.00 0.00 O ATOM 772 CB CYS A 54 2.688 2.791 2.900 1.00 0.00 C ATOM 773 SG CYS A 54 2.009 3.089 1.251 1.00 0.00 S ATOM 0 H CYS A 54 3.816 3.078 5.111 1.00 0.00 H new ATOM 0 HA CYS A 54 4.599 1.837 2.602 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.297 1.839 3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.307 3.564 3.567 1.00 0.00 H new ATOM 778 N ILE A 55 5.576 3.659 1.263 1.00 0.00 N ATOM 779 CA ILE A 55 6.200 4.761 0.474 1.00 0.00 C ATOM 780 C ILE A 55 6.415 4.326 -0.979 1.00 0.00 C ATOM 781 O ILE A 55 6.596 3.159 -1.263 1.00 0.00 O ATOM 782 CB ILE A 55 7.550 5.124 1.094 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.427 3.866 1.166 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.331 5.672 2.504 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.775 4.226 1.795 1.00 0.00 C ATOM 0 H ILE A 55 5.798 2.714 0.948 1.00 0.00 H new ATOM 0 HA ILE A 55 5.535 5.624 0.490 1.00 0.00 H new ATOM 0 HB ILE A 55 8.043 5.880 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.931 3.096 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.576 3.455 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.293 5.931 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.703 6.561 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.841 4.915 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.401 3.335 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.270 4.982 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.615 4.617 2.800 1.00 0.00 H new ATOM 797 N LYS A 56 6.391 5.280 -1.865 1.00 0.00 N ATOM 798 CA LYS A 56 6.600 4.954 -3.312 1.00 0.00 C ATOM 799 C LYS A 56 7.830 4.051 -3.488 1.00 0.00 C ATOM 800 O LYS A 56 8.654 3.936 -2.602 1.00 0.00 O ATOM 801 CB LYS A 56 6.814 6.251 -4.092 1.00 0.00 C ATOM 802 CG LYS A 56 5.595 7.154 -3.917 1.00 0.00 C ATOM 803 CD LYS A 56 5.949 8.572 -4.362 1.00 0.00 C ATOM 804 CE LYS A 56 4.665 9.391 -4.501 1.00 0.00 C ATOM 805 NZ LYS A 56 4.313 9.573 -5.937 1.00 0.00 N ATOM 0 H LYS A 56 6.237 6.267 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 56 5.721 4.429 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.711 6.759 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.970 6.032 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.759 6.774 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.277 7.156 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.615 9.038 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.482 8.545 -5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.849 8.889 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.794 10.364 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.439 10.131 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.085 10.072 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.169 8.643 -6.380 1.00 0.00 H new ATOM 819 N PHE A 57 7.924 3.433 -4.637 1.00 0.00 N ATOM 820 CA PHE A 57 9.093 2.538 -4.902 1.00 0.00 C ATOM 821 C PHE A 57 10.378 3.368 -5.010 1.00 0.00 C ATOM 822 O PHE A 57 11.416 2.978 -4.514 1.00 0.00 O ATOM 823 CB PHE A 57 8.860 1.792 -6.215 1.00 0.00 C ATOM 824 CG PHE A 57 9.040 0.287 -5.994 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.286 -0.235 -5.691 1.00 0.00 C ATOM 826 CD2 PHE A 57 7.958 -0.574 -6.094 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.446 -1.592 -5.493 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.121 -1.930 -5.895 1.00 0.00 C ATOM 829 CZ PHE A 57 9.365 -2.438 -5.595 1.00 0.00 C ATOM 0 H PHE A 57 7.249 3.507 -5.398 1.00 0.00 H new ATOM 0 HA PHE A 57 9.198 1.828 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.856 1.997 -6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.559 2.144 -6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.138 0.423 -5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.980 -0.181 -6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.422 -1.991 -5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.272 -2.593 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.493 -3.499 -5.440 1.00 0.00 H new ATOM 839 N GLU A 58 10.280 4.496 -5.661 1.00 0.00 N ATOM 840 CA GLU A 58 11.486 5.363 -5.817 1.00 0.00 C ATOM 841 C GLU A 58 12.007 5.800 -4.445 1.00 0.00 C ATOM 842 O GLU A 58 13.179 6.079 -4.284 1.00 0.00 O ATOM 843 CB GLU A 58 11.113 6.597 -6.636 1.00 0.00 C ATOM 844 CG GLU A 58 10.302 6.163 -7.859 1.00 0.00 C ATOM 845 CD GLU A 58 10.681 7.039 -9.054 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.496 8.238 -8.924 1.00 0.00 O ATOM 847 OE2 GLU A 58 11.134 6.462 -10.027 1.00 0.00 O ATOM 0 H GLU A 58 9.426 4.853 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 58 12.268 4.800 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.533 7.290 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.013 7.125 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.497 5.115 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.235 6.251 -7.652 1.00 0.00 H new ATOM 854 N ASP A 59 11.126 5.851 -3.484 1.00 0.00 N ATOM 855 CA ASP A 59 11.557 6.268 -2.117 1.00 0.00 C ATOM 856 C ASP A 59 12.184 5.081 -1.381 1.00 0.00 C ATOM 857 O ASP A 59 12.355 5.111 -0.179 1.00 0.00 O ATOM 858 CB ASP A 59 10.340 6.767 -1.339 1.00 0.00 C ATOM 859 CG ASP A 59 9.820 8.054 -1.983 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.196 8.278 -3.122 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.077 8.739 -1.302 1.00 0.00 O ATOM 0 H ASP A 59 10.136 5.625 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 59 12.296 7.065 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.559 6.007 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.609 6.950 -0.299 1.00 0.00 H new ATOM 866 N CYS A 60 12.514 4.060 -2.123 1.00 0.00 N ATOM 867 CA CYS A 60 13.129 2.859 -1.489 1.00 0.00 C ATOM 868 C CYS A 60 14.311 3.290 -0.588 1.00 0.00 C ATOM 869 O CYS A 60 14.864 4.358 -0.768 1.00 0.00 O ATOM 870 CB CYS A 60 13.640 1.934 -2.594 1.00 0.00 C ATOM 871 SG CYS A 60 12.595 0.534 -3.059 1.00 0.00 S ATOM 0 H CYS A 60 12.386 4.005 -3.133 1.00 0.00 H new ATOM 0 HA CYS A 60 12.389 2.342 -0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.811 2.537 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.609 1.542 -2.284 1.00 0.00 H new ATOM 876 N PRO A 61 14.681 2.446 0.370 1.00 0.00 N ATOM 877 CA PRO A 61 15.801 2.756 1.268 1.00 0.00 C ATOM 878 C PRO A 61 17.081 3.025 0.467 1.00 0.00 C ATOM 879 O PRO A 61 17.274 2.473 -0.599 1.00 0.00 O ATOM 880 CB PRO A 61 15.974 1.510 2.146 1.00 0.00 C ATOM 881 CG PRO A 61 14.893 0.476 1.706 1.00 0.00 C ATOM 882 CD PRO A 61 14.028 1.147 0.624 1.00 0.00 C ATOM 0 HA PRO A 61 15.606 3.650 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.974 1.093 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.856 1.763 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.362 -0.428 1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.280 0.176 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.987 0.541 -0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.001 1.280 0.965 1.00 0.00 H new ATOM 890 N LYS A 62 17.926 3.867 0.996 1.00 0.00 N ATOM 891 CA LYS A 62 19.195 4.180 0.276 1.00 0.00 C ATOM 892 C LYS A 62 20.317 3.253 0.752 1.00 0.00 C ATOM 893 O LYS A 62 20.334 2.993 1.945 1.00 0.00 O ATOM 894 CB LYS A 62 19.582 5.631 0.552 1.00 0.00 C ATOM 895 CG LYS A 62 19.338 5.942 2.030 1.00 0.00 C ATOM 896 CD LYS A 62 18.001 6.670 2.176 1.00 0.00 C ATOM 897 CE LYS A 62 17.540 6.583 3.632 1.00 0.00 C ATOM 898 NZ LYS A 62 17.272 5.167 4.012 1.00 0.00 N ATOM 899 OXT LYS A 62 21.091 2.855 -0.102 1.00 0.00 O ATOM 0 H LYS A 62 17.796 4.348 1.886 1.00 0.00 H new ATOM 0 HA LYS A 62 19.046 4.032 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.630 5.795 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.996 6.302 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.329 5.020 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 62 20.146 6.559 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.106 7.713 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.256 6.223 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.303 7.003 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.638 7.180 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.727 5.142 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.727 4.702 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.174 4.667 4.146 1.00 0.00 H new TER 913 LYS A 62