USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS :FLIP no HD1:sc= -0.4 F(o=-0.18,f=0.4) USER MOD Set 1.2: A 77 SER OG : rot 93:sc= 0.795 USER MOD Single : A 3 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.038) USER MOD Single : A 9 SER OG : rot -69:sc= -1.95! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.193 USER MOD Single : A 24 ASN : amide:sc= -2.76! C(o=-2.8!,f=-6.5!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.00563 X(o=-0.0056,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.096) USER MOD Single : A 32 THR OG1 : rot -91:sc= -0.016 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0169 (180deg=-0.228) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 40 CYS SG : rot -21:sc= -1.55 USER MOD Single : A 42 GLN :FLIP amide:sc= -1.44 F(o=-2.4!,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= -2.55 (180deg=-4.51!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 65 ASN :FLIP amide:sc=-0.00897 F(o=-1.2,f=-0.009) USER MOD Single : A 70 THR OG1 : rot 67:sc= -1.29! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -150:sc= -2.97! USER MOD Single : A 87 GLN : amide:sc= -0.234 K(o=-0.23,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.176 3.358 -14.754 1.00 0.00 N ATOM 20 CA TYR A 3 3.946 3.041 -14.036 1.00 0.00 C ATOM 21 C TYR A 3 3.722 4.019 -12.887 1.00 0.00 C ATOM 22 O TYR A 3 4.414 3.964 -11.870 1.00 0.00 O ATOM 23 CB TYR A 3 4.000 1.608 -13.498 1.00 0.00 C ATOM 24 CG TYR A 3 2.706 1.146 -12.869 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.668 0.655 -13.651 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.522 1.200 -11.493 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.483 0.232 -13.079 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.341 0.778 -10.914 1.00 0.00 C ATOM 29 CZ TYR A 3 0.325 0.295 -11.712 1.00 0.00 C ATOM 30 OH TYR A 3 -0.854 -0.127 -11.139 1.00 0.00 O ATOM 0 HA TYR A 3 3.113 3.129 -14.733 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.259 0.933 -14.314 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.799 1.536 -12.760 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.789 0.603 -14.723 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.316 1.578 -10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.315 -0.146 -13.701 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.214 0.826 -9.843 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.658 -0.746 -10.405 1.00 0.00 H new ATOM 40 N TRP A 4 2.754 4.916 -13.056 1.00 0.00 N ATOM 41 CA TRP A 4 2.444 5.904 -12.027 1.00 0.00 C ATOM 42 C TRP A 4 0.941 6.179 -11.971 1.00 0.00 C ATOM 43 O TRP A 4 0.429 7.017 -12.715 1.00 0.00 O ATOM 44 CB TRP A 4 3.199 7.208 -12.292 1.00 0.00 C ATOM 45 CG TRP A 4 3.090 8.197 -11.171 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.068 9.075 -10.946 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.039 8.409 -10.121 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.324 9.819 -9.820 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.529 9.429 -9.295 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.272 7.834 -9.797 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.209 9.884 -8.168 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.945 8.288 -8.679 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.413 9.303 -7.875 1.00 0.00 C ATOM 0 H TRP A 4 2.173 4.979 -13.892 1.00 0.00 H new ATOM 0 HA TRP A 4 2.760 5.498 -11.066 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.251 6.981 -12.466 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.816 7.662 -13.206 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.187 9.170 -11.563 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.717 10.543 -9.437 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.691 7.049 -10.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.801 10.668 -7.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.899 7.852 -8.421 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.963 9.634 -7.007 1.00 0.00 H new ATOM 64 N PRO A 5 0.210 5.468 -11.092 1.00 0.00 N ATOM 65 CA PRO A 5 -1.240 5.646 -10.942 1.00 0.00 C ATOM 66 C PRO A 5 -1.597 7.025 -10.393 1.00 0.00 C ATOM 67 O PRO A 5 -0.736 7.899 -10.280 1.00 0.00 O ATOM 68 CB PRO A 5 -1.643 4.553 -9.940 1.00 0.00 C ATOM 69 CG PRO A 5 -0.491 3.607 -9.901 1.00 0.00 C ATOM 70 CD PRO A 5 0.727 4.432 -10.186 1.00 0.00 C ATOM 0 HA PRO A 5 -1.757 5.572 -11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.837 4.976 -8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.556 4.048 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.416 3.123 -8.927 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.609 2.816 -10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.147 4.862 -9.277 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.516 3.842 -10.653 1.00 0.00 H new ATOM 78 N ALA A 6 -2.869 7.217 -10.054 1.00 0.00 N ATOM 79 CA ALA A 6 -3.330 8.494 -9.517 1.00 0.00 C ATOM 80 C ALA A 6 -2.943 8.644 -8.049 1.00 0.00 C ATOM 81 O ALA A 6 -2.766 7.655 -7.342 1.00 0.00 O ATOM 82 CB ALA A 6 -4.834 8.629 -9.686 1.00 0.00 C ATOM 0 H ALA A 6 -3.597 6.507 -10.141 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.842 9.292 -10.078 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.161 9.586 -9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.087 8.578 -10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.334 7.820 -9.154 1.00 0.00 H new ATOM 88 N ARG A 7 -2.827 9.888 -7.597 1.00 0.00 N ATOM 89 CA ARG A 7 -2.445 10.177 -6.216 1.00 0.00 C ATOM 90 C ARG A 7 -3.430 9.579 -5.211 1.00 0.00 C ATOM 91 O ARG A 7 -3.157 9.553 -4.011 1.00 0.00 O ATOM 92 CB ARG A 7 -2.349 11.689 -6.001 1.00 0.00 C ATOM 93 CG ARG A 7 -1.332 12.370 -6.902 1.00 0.00 C ATOM 94 CD ARG A 7 -1.286 13.870 -6.656 1.00 0.00 C ATOM 95 NE ARG A 7 -0.320 14.539 -7.523 1.00 0.00 N ATOM 96 CZ ARG A 7 -0.082 15.847 -7.493 1.00 0.00 C ATOM 97 NH1 ARG A 7 -0.739 16.625 -6.643 1.00 0.00 N ATOM 98 NH2 ARG A 7 0.813 16.379 -8.314 1.00 0.00 N ATOM 0 H ARG A 7 -2.992 10.717 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.472 9.716 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.329 12.134 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.088 11.883 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.345 11.941 -6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.583 12.179 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.276 14.295 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.029 14.058 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 7 0.202 13.970 -8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.429 16.220 -6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.554 17.628 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.320 15.785 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.994 17.382 -8.290 1.00 0.00 H new ATOM 112 N HIS A 8 -4.572 9.099 -5.696 1.00 0.00 N ATOM 113 CA HIS A 8 -5.581 8.515 -4.814 1.00 0.00 C ATOM 114 C HIS A 8 -6.163 7.230 -5.399 1.00 0.00 C ATOM 115 O HIS A 8 -7.126 6.680 -4.863 1.00 0.00 O ATOM 116 CB HIS A 8 -6.707 9.521 -4.561 1.00 0.00 C ATOM 117 CG HIS A 8 -6.248 10.785 -3.903 1.00 0.00 C ATOM 118 ND1 HIS A 8 -6.381 11.019 -2.550 1.00 0.00 N ATOM 119 CD2 HIS A 8 -5.657 11.889 -4.418 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.893 12.213 -2.261 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.446 12.760 -3.377 1.00 0.00 N ATOM 0 H HIS A 8 -4.821 9.102 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.092 8.268 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.182 9.768 -5.511 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.468 9.052 -3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.400 12.054 -5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.865 12.664 -1.280 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.014 13.681 -3.454 1.00 0.00 H new ATOM 130 N SER A 9 -5.577 6.753 -6.493 1.00 0.00 N ATOM 131 CA SER A 9 -6.051 5.530 -7.136 1.00 0.00 C ATOM 132 C SER A 9 -5.892 4.330 -6.207 1.00 0.00 C ATOM 133 O SER A 9 -5.422 4.465 -5.080 1.00 0.00 O ATOM 134 CB SER A 9 -5.294 5.281 -8.440 1.00 0.00 C ATOM 135 OG SER A 9 -3.905 5.159 -8.202 1.00 0.00 O ATOM 0 H SER A 9 -4.778 7.191 -6.951 1.00 0.00 H new ATOM 0 HA SER A 9 -7.110 5.659 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.667 4.373 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.477 6.101 -9.134 1.00 0.00 H new ATOM 0 HG SER A 9 -3.543 6.027 -7.928 1.00 0.00 H new ATOM 141 N GLY A 10 -6.283 3.157 -6.691 1.00 0.00 N ATOM 142 CA GLY A 10 -6.182 1.956 -5.883 1.00 0.00 C ATOM 143 C GLY A 10 -4.757 1.452 -5.740 1.00 0.00 C ATOM 144 O GLY A 10 -4.231 1.375 -4.632 1.00 0.00 O ATOM 0 H GLY A 10 -6.667 3.016 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.591 2.156 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.795 1.173 -6.329 1.00 0.00 H new ATOM 148 N ALA A 11 -4.130 1.121 -6.865 1.00 0.00 N ATOM 149 CA ALA A 11 -2.763 0.603 -6.861 1.00 0.00 C ATOM 150 C ALA A 11 -1.791 1.548 -6.153 1.00 0.00 C ATOM 151 O ALA A 11 -0.793 1.108 -5.578 1.00 0.00 O ATOM 152 CB ALA A 11 -2.303 0.340 -8.287 1.00 0.00 C ATOM 0 H ALA A 11 -4.546 1.202 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.766 -0.333 -6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.284 -0.046 -8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.963 -0.392 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.333 1.269 -8.856 1.00 0.00 H new ATOM 158 N ARG A 12 -2.082 2.842 -6.196 1.00 0.00 N ATOM 159 CA ARG A 12 -1.230 3.837 -5.562 1.00 0.00 C ATOM 160 C ARG A 12 -1.318 3.733 -4.051 1.00 0.00 C ATOM 161 O ARG A 12 -0.307 3.612 -3.357 1.00 0.00 O ATOM 162 CB ARG A 12 -1.668 5.233 -5.995 1.00 0.00 C ATOM 163 CG ARG A 12 -0.540 6.245 -6.039 1.00 0.00 C ATOM 164 CD ARG A 12 -0.357 6.942 -4.702 1.00 0.00 C ATOM 165 NE ARG A 12 0.625 8.020 -4.781 1.00 0.00 N ATOM 166 CZ ARG A 12 0.923 8.825 -3.767 1.00 0.00 C ATOM 167 NH1 ARG A 12 0.324 8.668 -2.595 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.821 9.787 -3.923 1.00 0.00 N ATOM 0 H ARG A 12 -2.903 3.226 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.200 3.657 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.125 5.170 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.437 5.590 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.387 5.744 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.747 6.987 -6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.313 7.345 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.039 6.215 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 12 1.111 8.163 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.367 7.928 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.554 9.287 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.285 9.911 -4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.048 10.404 -3.143 1.00 0.00 H new ATOM 182 N VAL A 13 -2.543 3.777 -3.554 1.00 0.00 N ATOM 183 CA VAL A 13 -2.790 3.716 -2.128 1.00 0.00 C ATOM 184 C VAL A 13 -2.292 2.412 -1.508 1.00 0.00 C ATOM 185 O VAL A 13 -1.853 2.398 -0.358 1.00 0.00 O ATOM 186 CB VAL A 13 -4.292 3.875 -1.819 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.567 3.644 -0.344 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.782 5.249 -2.246 1.00 0.00 C ATOM 0 H VAL A 13 -3.385 3.855 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.233 4.542 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.838 3.122 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.633 3.762 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.257 2.636 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.008 4.369 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.844 5.343 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.227 6.017 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.627 5.374 -3.318 1.00 0.00 H new ATOM 198 N ILE A 14 -2.350 1.321 -2.266 1.00 0.00 N ATOM 199 CA ILE A 14 -1.929 0.029 -1.741 1.00 0.00 C ATOM 200 C ILE A 14 -0.409 -0.076 -1.574 1.00 0.00 C ATOM 201 O ILE A 14 0.070 -0.419 -0.497 1.00 0.00 O ATOM 202 CB ILE A 14 -2.449 -1.145 -2.606 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.763 -1.191 -3.972 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.955 -1.046 -2.783 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.192 -2.364 -4.828 1.00 0.00 C ATOM 0 H ILE A 14 -2.679 1.306 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.378 -0.044 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.208 -2.069 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.975 -0.265 -4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.684 -1.235 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.305 -1.878 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.439 -1.083 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.202 -0.106 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.664 -2.331 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.955 -3.295 -4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.266 -2.311 -5.006 1.00 0.00 H new ATOM 217 N LEU A 15 0.351 0.214 -2.625 1.00 0.00 N ATOM 218 CA LEU A 15 1.804 0.105 -2.507 1.00 0.00 C ATOM 219 C LEU A 15 2.369 1.076 -1.470 1.00 0.00 C ATOM 220 O LEU A 15 3.295 0.737 -0.734 1.00 0.00 O ATOM 221 CB LEU A 15 2.473 0.340 -3.865 1.00 0.00 C ATOM 222 CG LEU A 15 1.936 -0.526 -5.005 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.146 0.165 -6.341 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.614 -1.886 -4.999 1.00 0.00 C ATOM 0 H LEU A 15 0.005 0.515 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 15 2.024 -0.907 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.352 1.389 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.543 0.158 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 15 0.866 -0.671 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.758 -0.465 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.620 1.120 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.211 0.337 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.222 -2.492 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.689 -1.757 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.418 -2.386 -4.050 1.00 0.00 H new ATOM 236 N LEU A 16 1.798 2.272 -1.395 1.00 0.00 N ATOM 237 CA LEU A 16 2.277 3.268 -0.459 1.00 0.00 C ATOM 238 C LEU A 16 2.005 2.839 0.976 1.00 0.00 C ATOM 239 O LEU A 16 2.855 2.970 1.867 1.00 0.00 O ATOM 240 CB LEU A 16 1.577 4.587 -0.749 1.00 0.00 C ATOM 241 CG LEU A 16 1.863 5.696 0.246 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.332 6.081 0.205 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.977 6.892 -0.043 1.00 0.00 C ATOM 0 H LEU A 16 1.009 2.570 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 16 3.355 3.382 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.870 4.926 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.501 4.412 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 16 1.640 5.338 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.520 6.878 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.943 5.214 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.589 6.428 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.189 7.684 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.174 7.255 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.069 6.598 0.039 1.00 0.00 H new ATOM 255 N VAL A 17 0.812 2.320 1.186 1.00 0.00 N ATOM 256 CA VAL A 17 0.399 1.879 2.498 1.00 0.00 C ATOM 257 C VAL A 17 1.185 0.650 2.944 1.00 0.00 C ATOM 258 O VAL A 17 1.546 0.533 4.115 1.00 0.00 O ATOM 259 CB VAL A 17 -1.111 1.613 2.523 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.480 0.335 1.801 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.631 1.592 3.942 1.00 0.00 C ATOM 0 H VAL A 17 0.109 2.194 0.458 1.00 0.00 H new ATOM 0 HA VAL A 17 0.616 2.677 3.208 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.587 2.435 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.559 0.190 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.166 0.402 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.981 -0.509 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.704 1.402 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.127 0.804 4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.437 2.555 4.415 1.00 0.00 H new ATOM 271 N LEU A 18 1.453 -0.267 2.014 1.00 0.00 N ATOM 272 CA LEU A 18 2.242 -1.442 2.361 1.00 0.00 C ATOM 273 C LEU A 18 3.642 -0.992 2.736 1.00 0.00 C ATOM 274 O LEU A 18 4.330 -1.644 3.517 1.00 0.00 O ATOM 275 CB LEU A 18 2.343 -2.447 1.198 1.00 0.00 C ATOM 276 CG LEU A 18 1.028 -2.994 0.638 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.251 -4.360 0.006 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.043 -3.075 1.717 1.00 0.00 C ATOM 0 H LEU A 18 1.145 -0.221 1.043 1.00 0.00 H new ATOM 0 HA LEU A 18 1.745 -1.943 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.886 -1.969 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.947 -3.291 1.531 1.00 0.00 H new ATOM 0 HG LEU A 18 0.676 -2.304 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.307 -4.737 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.974 -4.272 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.632 -5.051 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.964 -3.467 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.294 -3.736 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.227 -2.080 2.123 1.00 0.00 H new ATOM 290 N TYR A 19 4.050 0.142 2.168 1.00 0.00 N ATOM 291 CA TYR A 19 5.387 0.676 2.405 1.00 0.00 C ATOM 292 C TYR A 19 5.663 0.928 3.877 1.00 0.00 C ATOM 293 O TYR A 19 6.528 0.283 4.457 1.00 0.00 O ATOM 294 CB TYR A 19 5.584 1.972 1.620 1.00 0.00 C ATOM 295 CG TYR A 19 6.944 2.604 1.812 1.00 0.00 C ATOM 296 CD1 TYR A 19 8.045 2.165 1.090 1.00 0.00 C ATOM 297 CD2 TYR A 19 7.124 3.645 2.716 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.289 2.742 1.264 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.364 4.229 2.894 1.00 0.00 C ATOM 300 CZ TYR A 19 9.442 3.774 2.165 1.00 0.00 C ATOM 301 OH TYR A 19 10.678 4.352 2.339 1.00 0.00 O ATOM 0 H TYR A 19 3.475 0.706 1.543 1.00 0.00 H new ATOM 0 HA TYR A 19 6.094 -0.080 2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.435 1.769 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.817 2.686 1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.928 1.359 0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.281 4.003 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.137 2.386 0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.488 5.037 3.600 1.00 0.00 H new ATOM 0 HH TYR A 19 10.614 5.065 3.009 1.00 0.00 H new ATOM 311 N ARG A 20 4.908 1.820 4.501 1.00 0.00 N ATOM 312 CA ARG A 20 5.167 2.111 5.909 1.00 0.00 C ATOM 313 C ARG A 20 5.051 0.852 6.765 1.00 0.00 C ATOM 314 O ARG A 20 5.931 0.559 7.575 1.00 0.00 O ATOM 315 CB ARG A 20 4.231 3.210 6.417 1.00 0.00 C ATOM 316 CG ARG A 20 2.756 2.891 6.259 1.00 0.00 C ATOM 317 CD ARG A 20 2.172 2.309 7.535 1.00 0.00 C ATOM 318 NE ARG A 20 2.156 3.282 8.624 1.00 0.00 N ATOM 319 CZ ARG A 20 1.710 3.012 9.847 1.00 0.00 C ATOM 320 NH1 ARG A 20 1.249 1.803 10.137 1.00 0.00 N ATOM 321 NH2 ARG A 20 1.726 3.952 10.783 1.00 0.00 N ATOM 0 H ARG A 20 4.139 2.339 4.078 1.00 0.00 H new ATOM 0 HA ARG A 20 6.192 2.473 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.441 3.393 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.451 4.135 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.214 3.797 5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.621 2.184 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.156 1.963 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.754 1.438 7.836 1.00 0.00 H new ATOM 0 HE ARG A 20 2.507 4.221 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.236 1.077 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.908 1.599 11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.081 4.883 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.384 3.744 11.721 1.00 0.00 H new ATOM 335 N GLU A 21 3.965 0.116 6.583 1.00 0.00 N ATOM 336 CA GLU A 21 3.792 -1.106 7.358 1.00 0.00 C ATOM 337 C GLU A 21 4.932 -2.085 7.093 1.00 0.00 C ATOM 338 O GLU A 21 5.273 -2.899 7.947 1.00 0.00 O ATOM 339 CB GLU A 21 2.451 -1.762 7.048 1.00 0.00 C ATOM 340 CG GLU A 21 2.131 -2.925 7.968 1.00 0.00 C ATOM 341 CD GLU A 21 2.215 -2.550 9.436 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.251 -1.945 9.951 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.246 -2.858 10.069 1.00 0.00 O ATOM 0 H GLU A 21 3.213 0.332 5.929 1.00 0.00 H new ATOM 0 HA GLU A 21 3.808 -0.835 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.661 -1.015 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.455 -2.113 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.129 -3.292 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.822 -3.744 7.766 1.00 0.00 H new ATOM 350 N HIS A 22 5.511 -2.007 5.900 1.00 0.00 N ATOM 351 CA HIS A 22 6.619 -2.895 5.557 1.00 0.00 C ATOM 352 C HIS A 22 7.891 -2.467 6.277 1.00 0.00 C ATOM 353 O HIS A 22 8.647 -3.301 6.772 1.00 0.00 O ATOM 354 CB HIS A 22 6.844 -2.904 4.045 1.00 0.00 C ATOM 355 CG HIS A 22 8.117 -3.569 3.618 1.00 0.00 C ATOM 356 ND1 HIS A 22 9.389 -3.104 3.573 1.00 0.00 N flip ATOM 357 CD2 HIS A 22 8.170 -4.866 3.152 1.00 0.00 C flip ATOM 358 CE1 HIS A 22 10.177 -4.117 3.086 1.00 0.00 C flip ATOM 359 NE2 HIS A 22 9.418 -5.169 2.840 1.00 0.00 N flip ATOM 0 H HIS A 22 5.240 -1.352 5.166 1.00 0.00 H new ATOM 0 HA HIS A 22 6.363 -3.904 5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.005 -3.410 3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.845 -1.876 3.683 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.324 -5.530 3.057 1.00 0.00 H new ATOM 0 HE1 HIS A 22 11.244 -4.062 2.930 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.740 -6.064 2.472 1.00 0.00 H new ATOM 368 N LEU A 23 8.119 -1.160 6.333 1.00 0.00 N ATOM 369 CA LEU A 23 9.301 -0.626 6.996 1.00 0.00 C ATOM 370 C LEU A 23 9.175 -0.735 8.510 1.00 0.00 C ATOM 371 O LEU A 23 9.998 -0.194 9.248 1.00 0.00 O ATOM 372 CB LEU A 23 9.526 0.831 6.589 1.00 0.00 C ATOM 373 CG LEU A 23 10.147 1.019 5.206 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.132 0.749 4.108 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.729 2.415 5.062 1.00 0.00 C ATOM 0 H LEU A 23 7.504 -0.454 5.929 1.00 0.00 H new ATOM 0 HA LEU A 23 10.161 -1.218 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.570 1.354 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.170 1.305 7.329 1.00 0.00 H new ATOM 0 HG LEU A 23 10.956 0.296 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.602 0.891 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.771 -0.276 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.294 1.439 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.166 2.526 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.939 3.154 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.500 2.567 5.817 1.00 0.00 H new ATOM 387 N ASN A 24 8.146 -1.444 8.963 1.00 0.00 N ATOM 388 CA ASN A 24 7.912 -1.631 10.389 1.00 0.00 C ATOM 389 C ASN A 24 8.983 -2.510 11.030 1.00 0.00 C ATOM 390 O ASN A 24 9.043 -3.713 10.772 1.00 0.00 O ATOM 391 CB ASN A 24 6.540 -2.256 10.627 1.00 0.00 C ATOM 392 CG ASN A 24 5.504 -1.219 10.992 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.864 -0.630 10.125 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.338 -0.987 12.284 1.00 0.00 N ATOM 0 H ASN A 24 7.460 -1.899 8.361 1.00 0.00 H new ATOM 0 HA ASN A 24 7.954 -0.645 10.852 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.222 -2.786 9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.611 -2.995 11.425 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.656 -0.295 12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.892 -1.500 12.970 1.00 0.00 H new ATOM 401 N PRO A 25 9.847 -1.919 11.874 1.00 0.00 N ATOM 402 CA PRO A 25 10.901 -2.661 12.569 1.00 0.00 C ATOM 403 C PRO A 25 10.327 -3.674 13.548 1.00 0.00 C ATOM 404 O PRO A 25 10.861 -4.770 13.715 1.00 0.00 O ATOM 405 CB PRO A 25 11.670 -1.583 13.340 1.00 0.00 C ATOM 406 CG PRO A 25 11.271 -0.288 12.721 1.00 0.00 C ATOM 407 CD PRO A 25 9.876 -0.488 12.206 1.00 0.00 C ATOM 0 HA PRO A 25 11.519 -3.226 11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.419 -1.605 14.400 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.746 -1.739 13.264 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.305 0.520 13.451 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.950 -0.016 11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.128 -0.233 12.957 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.675 0.133 11.333 1.00 0.00 H new ATOM 415 N ASN A 26 9.231 -3.292 14.196 1.00 0.00 N ATOM 416 CA ASN A 26 8.587 -4.159 15.171 1.00 0.00 C ATOM 417 C ASN A 26 7.273 -4.715 14.642 1.00 0.00 C ATOM 418 O ASN A 26 6.631 -5.545 15.287 1.00 0.00 O ATOM 419 CB ASN A 26 8.339 -3.395 16.471 1.00 0.00 C ATOM 420 CG ASN A 26 9.616 -3.151 17.252 1.00 0.00 C ATOM 421 OD1 ASN A 26 10.010 -3.961 18.090 1.00 0.00 O ATOM 422 ND2 ASN A 26 10.270 -2.027 16.979 1.00 0.00 N ATOM 0 H ASN A 26 8.773 -2.390 14.063 1.00 0.00 H new ATOM 0 HA ASN A 26 9.256 -4.998 15.363 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.868 -2.439 16.243 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.639 -3.956 17.091 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.135 -1.808 17.472 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.907 -1.383 16.276 1.00 0.00 H new ATOM 429 N GLY A 27 6.882 -4.253 13.466 1.00 0.00 N ATOM 430 CA GLY A 27 5.641 -4.710 12.867 1.00 0.00 C ATOM 431 C GLY A 27 5.867 -5.740 11.780 1.00 0.00 C ATOM 432 O GLY A 27 7.000 -6.155 11.534 1.00 0.00 O ATOM 0 H GLY A 27 7.400 -3.570 12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.003 -5.137 13.641 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.107 -3.857 12.449 1.00 0.00 H new ATOM 436 N HIS A 28 4.787 -6.151 11.127 1.00 0.00 N ATOM 437 CA HIS A 28 4.876 -7.138 10.059 1.00 0.00 C ATOM 438 C HIS A 28 5.117 -6.458 8.716 1.00 0.00 C ATOM 439 O HIS A 28 4.607 -5.367 8.461 1.00 0.00 O ATOM 440 CB HIS A 28 3.595 -7.973 9.997 1.00 0.00 C ATOM 441 CG HIS A 28 3.301 -8.712 11.266 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.562 -10.056 11.432 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.761 -8.288 12.434 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.195 -10.427 12.646 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.708 -9.374 13.274 1.00 0.00 N ATOM 0 H HIS A 28 3.842 -5.817 11.318 1.00 0.00 H new ATOM 0 HA HIS A 28 5.718 -7.796 10.273 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.755 -7.318 9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.677 -8.689 9.179 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.434 -7.284 12.662 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.279 -11.423 13.055 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.350 -9.367 14.229 1.00 0.00 H new ATOM 454 N HIS A 29 5.896 -7.110 7.861 1.00 0.00 N ATOM 455 CA HIS A 29 6.207 -6.572 6.540 1.00 0.00 C ATOM 456 C HIS A 29 5.051 -6.816 5.575 1.00 0.00 C ATOM 457 O HIS A 29 5.259 -6.982 4.372 1.00 0.00 O ATOM 458 CB HIS A 29 7.482 -7.218 5.996 1.00 0.00 C ATOM 459 CG HIS A 29 8.660 -7.084 6.910 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.942 -7.990 7.912 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.634 -6.145 6.970 1.00 0.00 C ATOM 462 CE1 HIS A 29 10.037 -7.613 8.548 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.476 -6.497 7.996 1.00 0.00 N ATOM 0 H HIS A 29 6.325 -8.014 8.058 1.00 0.00 H new ATOM 0 HA HIS A 29 6.362 -5.497 6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.293 -8.276 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.726 -6.767 5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.731 -5.280 6.330 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.495 -8.130 9.378 1.00 0.00 H new ATOM 0 HE2 HIS A 29 11.306 -5.980 8.285 1.00 0.00 H new ATOM 472 N PHE A 30 3.831 -6.821 6.105 1.00 0.00 N ATOM 473 CA PHE A 30 2.643 -7.063 5.287 1.00 0.00 C ATOM 474 C PHE A 30 1.363 -6.717 6.041 1.00 0.00 C ATOM 475 O PHE A 30 1.402 -6.244 7.177 1.00 0.00 O ATOM 476 CB PHE A 30 2.585 -8.532 4.855 1.00 0.00 C ATOM 477 CG PHE A 30 2.531 -9.496 6.008 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.326 -9.787 6.629 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.683 -10.111 6.471 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.271 -10.671 7.687 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.634 -10.999 7.530 1.00 0.00 C ATOM 482 CZ PHE A 30 2.425 -11.279 8.139 1.00 0.00 C ATOM 0 H PHE A 30 3.638 -6.661 7.094 1.00 0.00 H new ATOM 0 HA PHE A 30 2.717 -6.420 4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.708 -8.683 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.459 -8.757 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.419 -9.316 6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.630 -9.894 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.325 -10.887 8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.539 -11.473 7.881 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.383 -11.972 8.966 1.00 0.00 H new ATOM 492 N LEU A 31 0.228 -6.973 5.392 1.00 0.00 N ATOM 493 CA LEU A 31 -1.076 -6.709 5.984 1.00 0.00 C ATOM 494 C LEU A 31 -2.158 -7.530 5.291 1.00 0.00 C ATOM 495 O LEU A 31 -2.034 -7.866 4.111 1.00 0.00 O ATOM 496 CB LEU A 31 -1.419 -5.225 5.873 1.00 0.00 C ATOM 497 CG LEU A 31 -0.939 -4.353 7.030 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.145 -2.881 6.707 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.661 -4.723 8.316 1.00 0.00 C ATOM 0 H LEU A 31 0.189 -7.365 4.451 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.032 -6.993 7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.991 -4.839 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.501 -5.125 5.790 1.00 0.00 H new ATOM 0 HG LEU A 31 0.127 -4.529 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.798 -2.273 7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.581 -2.623 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.205 -2.691 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.304 -4.090 9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.733 -4.577 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.463 -5.768 8.557 1.00 0.00 H new ATOM 511 N THR A 32 -3.215 -7.853 6.028 1.00 0.00 N ATOM 512 CA THR A 32 -4.318 -8.619 5.461 1.00 0.00 C ATOM 513 C THR A 32 -5.256 -7.694 4.696 1.00 0.00 C ATOM 514 O THR A 32 -5.282 -6.490 4.942 1.00 0.00 O ATOM 515 CB THR A 32 -5.111 -9.372 6.545 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.624 -8.449 7.511 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.232 -10.405 7.236 1.00 0.00 C ATOM 0 H THR A 32 -3.331 -7.599 7.009 1.00 0.00 H new ATOM 0 HA THR A 32 -3.889 -9.357 4.783 1.00 0.00 H new ATOM 0 HB THR A 32 -5.942 -9.888 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.975 -8.341 8.237 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.812 -10.925 7.998 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.870 -11.124 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.383 -9.906 7.704 1.00 0.00 H new ATOM 525 N LYS A 33 -6.038 -8.263 3.786 1.00 0.00 N ATOM 526 CA LYS A 33 -6.954 -7.463 2.977 1.00 0.00 C ATOM 527 C LYS A 33 -7.850 -6.587 3.850 1.00 0.00 C ATOM 528 O LYS A 33 -8.024 -5.400 3.579 1.00 0.00 O ATOM 529 CB LYS A 33 -7.816 -8.377 2.099 1.00 0.00 C ATOM 530 CG LYS A 33 -8.181 -7.772 0.749 1.00 0.00 C ATOM 531 CD LYS A 33 -9.045 -6.529 0.898 1.00 0.00 C ATOM 532 CE LYS A 33 -9.385 -5.921 -0.453 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.145 -6.870 -1.314 1.00 0.00 N ATOM 0 H LYS A 33 -6.058 -9.264 3.590 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.355 -6.809 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.283 -9.314 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.732 -8.622 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.270 -7.518 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.711 -8.513 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.964 -6.785 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.522 -5.792 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.972 -5.015 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.466 -5.627 -0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.546 -6.358 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.506 -7.616 -1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.914 -7.300 -0.762 1.00 0.00 H new ATOM 547 N GLU A 34 -8.406 -7.173 4.905 1.00 0.00 N ATOM 548 CA GLU A 34 -9.292 -6.443 5.807 1.00 0.00 C ATOM 549 C GLU A 34 -8.562 -5.313 6.533 1.00 0.00 C ATOM 550 O GLU A 34 -9.135 -4.249 6.766 1.00 0.00 O ATOM 551 CB GLU A 34 -9.903 -7.405 6.827 1.00 0.00 C ATOM 552 CG GLU A 34 -8.869 -8.131 7.674 1.00 0.00 C ATOM 553 CD GLU A 34 -9.499 -9.070 8.684 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.783 -8.622 9.815 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.709 -10.254 8.343 1.00 0.00 O ATOM 0 H GLU A 34 -8.260 -8.150 5.157 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.081 -5.994 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.572 -6.849 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.511 -8.141 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.204 -8.697 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.255 -7.399 8.198 1.00 0.00 H new ATOM 562 N GLU A 35 -7.303 -5.545 6.887 1.00 0.00 N ATOM 563 CA GLU A 35 -6.532 -4.531 7.602 1.00 0.00 C ATOM 564 C GLU A 35 -6.143 -3.376 6.688 1.00 0.00 C ATOM 565 O GLU A 35 -5.987 -2.245 7.141 1.00 0.00 O ATOM 566 CB GLU A 35 -5.277 -5.151 8.220 1.00 0.00 C ATOM 567 CG GLU A 35 -5.571 -6.107 9.365 1.00 0.00 C ATOM 568 CD GLU A 35 -4.313 -6.711 9.957 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.747 -6.106 10.891 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.893 -7.789 9.486 1.00 0.00 O ATOM 0 H GLU A 35 -6.800 -6.411 6.695 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.166 -4.136 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.726 -5.684 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.628 -4.353 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.117 -5.577 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.221 -6.906 9.008 1.00 0.00 H new ATOM 577 N LEU A 36 -6.003 -3.666 5.400 1.00 0.00 N ATOM 578 CA LEU A 36 -5.611 -2.642 4.438 1.00 0.00 C ATOM 579 C LEU A 36 -6.679 -1.566 4.285 1.00 0.00 C ATOM 580 O LEU A 36 -6.384 -0.373 4.347 1.00 0.00 O ATOM 581 CB LEU A 36 -5.335 -3.283 3.086 1.00 0.00 C ATOM 582 CG LEU A 36 -4.254 -4.356 3.088 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.287 -5.170 1.803 1.00 0.00 C ATOM 584 CD2 LEU A 36 -2.885 -3.726 3.287 1.00 0.00 C ATOM 0 H LEU A 36 -6.153 -4.592 5.000 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.707 -2.164 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.261 -3.722 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.048 -2.501 2.383 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.451 -5.034 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.504 -5.928 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.258 -5.655 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.122 -4.511 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.122 -4.505 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.687 -3.023 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.863 -3.197 4.240 1.00 0.00 H new ATOM 596 N LEU A 37 -7.917 -1.997 4.075 1.00 0.00 N ATOM 597 CA LEU A 37 -9.036 -1.072 3.911 1.00 0.00 C ATOM 598 C LEU A 37 -9.042 -0.014 5.010 1.00 0.00 C ATOM 599 O LEU A 37 -9.414 1.135 4.773 1.00 0.00 O ATOM 600 CB LEU A 37 -10.363 -1.835 3.921 1.00 0.00 C ATOM 601 CG LEU A 37 -10.791 -2.430 2.575 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.021 -1.328 1.552 1.00 0.00 C ATOM 603 CD2 LEU A 37 -9.754 -3.419 2.069 1.00 0.00 C ATOM 0 H LEU A 37 -8.173 -2.982 4.014 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.916 -0.571 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.292 -2.643 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.147 -1.161 4.267 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.729 -2.965 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.324 -1.770 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.805 -0.659 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.099 -0.764 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.078 -3.829 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.798 -2.910 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.640 -4.228 2.791 1.00 0.00 H new ATOM 615 N GLN A 38 -8.626 -0.407 6.209 1.00 0.00 N ATOM 616 CA GLN A 38 -8.586 0.535 7.320 1.00 0.00 C ATOM 617 C GLN A 38 -7.426 1.501 7.133 1.00 0.00 C ATOM 618 O GLN A 38 -7.556 2.706 7.348 1.00 0.00 O ATOM 619 CB GLN A 38 -8.441 -0.209 8.650 1.00 0.00 C ATOM 620 CG GLN A 38 -9.568 -1.190 8.926 1.00 0.00 C ATOM 621 CD GLN A 38 -9.407 -1.902 10.255 1.00 0.00 C ATOM 622 OE1 GLN A 38 -8.721 -3.039 10.238 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 -9.892 -1.435 11.285 1.00 0.00 N flip ATOM 0 H GLN A 38 -8.317 -1.353 6.434 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.521 1.095 7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.493 -0.747 8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.398 0.519 9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.519 -0.658 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.607 -1.928 8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.412 -0.558 11.252 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.774 -1.925 12.172 1.00 0.00 H new ATOM 632 N ARG A 39 -6.289 0.946 6.729 1.00 0.00 N ATOM 633 CA ARG A 39 -5.089 1.736 6.488 1.00 0.00 C ATOM 634 C ARG A 39 -5.371 2.861 5.505 1.00 0.00 C ATOM 635 O ARG A 39 -4.922 3.992 5.691 1.00 0.00 O ATOM 636 CB ARG A 39 -3.997 0.845 5.919 1.00 0.00 C ATOM 637 CG ARG A 39 -3.682 -0.367 6.766 1.00 0.00 C ATOM 638 CD ARG A 39 -2.827 -0.006 7.968 1.00 0.00 C ATOM 639 NE ARG A 39 -3.567 0.767 8.962 1.00 0.00 N ATOM 640 CZ ARG A 39 -3.023 1.255 10.072 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.738 1.053 10.330 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.764 1.949 10.926 1.00 0.00 N ATOM 0 H ARG A 39 -6.174 -0.053 6.561 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.767 2.167 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.296 0.512 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.089 1.435 5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.611 -0.825 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.163 -1.109 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.448 -0.918 8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.961 0.567 7.636 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.558 0.942 8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.164 0.522 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.324 1.429 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.752 2.109 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.345 2.323 11.778 1.00 0.00 H new ATOM 656 N CYS A 40 -6.109 2.531 4.453 1.00 0.00 N ATOM 657 CA CYS A 40 -6.458 3.505 3.422 1.00 0.00 C ATOM 658 C CYS A 40 -7.133 4.727 4.036 1.00 0.00 C ATOM 659 O CYS A 40 -6.981 5.843 3.541 1.00 0.00 O ATOM 660 CB CYS A 40 -7.376 2.872 2.374 1.00 0.00 C ATOM 661 SG CYS A 40 -7.879 4.003 1.056 1.00 0.00 S ATOM 0 H CYS A 40 -6.479 1.595 4.289 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.536 3.825 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.867 2.016 1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.268 2.490 2.871 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.746 5.230 1.463 1.00 0.00 H new ATOM 667 N ALA A 41 -7.877 4.508 5.116 1.00 0.00 N ATOM 668 CA ALA A 41 -8.565 5.597 5.798 1.00 0.00 C ATOM 669 C ALA A 41 -7.567 6.552 6.445 1.00 0.00 C ATOM 670 O ALA A 41 -7.939 7.618 6.933 1.00 0.00 O ATOM 671 CB ALA A 41 -9.526 5.050 6.841 1.00 0.00 C ATOM 0 H ALA A 41 -8.018 3.589 5.536 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.136 6.153 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.031 5.877 7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.266 4.413 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.972 4.467 7.576 1.00 0.00 H new ATOM 677 N GLN A 42 -6.299 6.156 6.442 1.00 0.00 N ATOM 678 CA GLN A 42 -5.282 7.011 7.037 1.00 0.00 C ATOM 679 C GLN A 42 -4.535 7.733 5.920 1.00 0.00 C ATOM 680 O GLN A 42 -4.249 8.927 6.000 1.00 0.00 O ATOM 681 CB GLN A 42 -4.310 6.176 7.877 1.00 0.00 C ATOM 682 CG GLN A 42 -3.575 6.964 8.953 1.00 0.00 C ATOM 683 CD GLN A 42 -2.705 8.071 8.392 1.00 0.00 C ATOM 684 OE1 GLN A 42 -3.258 9.277 8.315 1.00 0.00 O flip ATOM 685 NE2 GLN A 42 -1.545 7.850 8.046 1.00 0.00 N flip ATOM 0 H GLN A 42 -5.959 5.279 6.048 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.754 7.742 7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.862 5.365 8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.576 5.718 7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.303 7.396 9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.954 6.282 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.161 6.908 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.968 8.609 7.683 1.00 0.00 H new ATOM 694 N LYS A 43 -4.244 6.973 4.867 1.00 0.00 N ATOM 695 CA LYS A 43 -3.531 7.473 3.696 1.00 0.00 C ATOM 696 C LYS A 43 -4.292 8.613 3.025 1.00 0.00 C ATOM 697 O LYS A 43 -3.753 9.311 2.166 1.00 0.00 O ATOM 698 CB LYS A 43 -3.293 6.314 2.725 1.00 0.00 C ATOM 699 CG LYS A 43 -2.388 6.661 1.560 1.00 0.00 C ATOM 700 CD LYS A 43 -3.201 7.053 0.348 1.00 0.00 C ATOM 701 CE LYS A 43 -2.320 7.540 -0.788 1.00 0.00 C ATOM 702 NZ LYS A 43 -1.591 8.787 -0.426 1.00 0.00 N ATOM 0 H LYS A 43 -4.498 5.987 4.803 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.570 7.881 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.858 5.478 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.254 5.976 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.725 7.480 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.755 5.807 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.788 6.198 0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.907 7.837 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.603 6.763 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.932 7.720 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.748 9.507 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.941 9.141 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.574 8.585 -0.351 1.00 0.00 H new ATOM 885 N PRO A 56 -9.340 -4.954 -5.329 1.00 0.00 N ATOM 886 CA PRO A 56 -8.918 -6.220 -5.946 1.00 0.00 C ATOM 887 C PRO A 56 -7.805 -6.032 -6.977 1.00 0.00 C ATOM 888 O PRO A 56 -7.154 -6.997 -7.383 1.00 0.00 O ATOM 889 CB PRO A 56 -10.193 -6.720 -6.622 1.00 0.00 C ATOM 890 CG PRO A 56 -11.295 -6.177 -5.782 1.00 0.00 C ATOM 891 CD PRO A 56 -10.814 -4.843 -5.273 1.00 0.00 C ATOM 0 HA PRO A 56 -8.504 -6.911 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.264 -6.363 -7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.222 -7.809 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.210 -6.065 -6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.523 -6.850 -4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.177 -4.024 -5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.163 -4.653 -4.258 1.00 0.00 H new ATOM 899 N ALA A 57 -7.593 -4.787 -7.398 1.00 0.00 N ATOM 900 CA ALA A 57 -6.556 -4.468 -8.374 1.00 0.00 C ATOM 901 C ALA A 57 -5.186 -4.955 -7.909 1.00 0.00 C ATOM 902 O ALA A 57 -4.326 -5.279 -8.728 1.00 0.00 O ATOM 903 CB ALA A 57 -6.523 -2.970 -8.634 1.00 0.00 C ATOM 0 H ALA A 57 -8.128 -3.981 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.797 -4.986 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.745 -2.744 -9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.489 -2.647 -9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.311 -2.444 -7.703 1.00 0.00 H new ATOM 909 N LEU A 58 -4.990 -5.007 -6.593 1.00 0.00 N ATOM 910 CA LEU A 58 -3.718 -5.452 -6.030 1.00 0.00 C ATOM 911 C LEU A 58 -3.322 -6.819 -6.578 1.00 0.00 C ATOM 912 O LEU A 58 -2.136 -7.124 -6.708 1.00 0.00 O ATOM 913 CB LEU A 58 -3.782 -5.478 -4.500 1.00 0.00 C ATOM 914 CG LEU A 58 -5.043 -6.100 -3.894 1.00 0.00 C ATOM 915 CD1 LEU A 58 -4.980 -7.617 -3.941 1.00 0.00 C ATOM 916 CD2 LEU A 58 -5.231 -5.618 -2.465 1.00 0.00 C ATOM 0 H LEU A 58 -5.692 -4.748 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.951 -4.737 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.916 -6.026 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.693 -4.455 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.900 -5.782 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.888 -8.033 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.892 -7.946 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.114 -7.963 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.131 -6.067 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.367 -5.908 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.330 -4.533 -2.457 1.00 0.00 H new ATOM 928 N ARG A 59 -4.318 -7.642 -6.894 1.00 0.00 N ATOM 929 CA ARG A 59 -4.046 -8.961 -7.448 1.00 0.00 C ATOM 930 C ARG A 59 -3.255 -8.820 -8.739 1.00 0.00 C ATOM 931 O ARG A 59 -2.270 -9.525 -8.962 1.00 0.00 O ATOM 932 CB ARG A 59 -5.353 -9.714 -7.709 1.00 0.00 C ATOM 933 CG ARG A 59 -6.186 -9.939 -6.459 1.00 0.00 C ATOM 934 CD ARG A 59 -7.481 -10.671 -6.776 1.00 0.00 C ATOM 935 NE ARG A 59 -7.236 -11.981 -7.373 1.00 0.00 N ATOM 936 CZ ARG A 59 -8.201 -12.788 -7.801 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.471 -12.421 -7.698 1.00 0.00 N ATOM 938 NH2 ARG A 59 -7.897 -13.965 -8.334 1.00 0.00 N ATOM 0 H ARG A 59 -5.307 -7.422 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.460 -9.532 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.945 -9.156 -8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.123 -10.679 -8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.609 -10.515 -5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.414 -8.979 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.062 -10.792 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.081 -10.068 -7.458 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.270 -12.294 -7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.709 -11.517 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.210 -13.042 -8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.921 -14.251 -8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.639 -14.583 -8.662 1.00 0.00 H new ATOM 952 N SER A 60 -3.701 -7.900 -9.587 1.00 0.00 N ATOM 953 CA SER A 60 -3.025 -7.649 -10.850 1.00 0.00 C ATOM 954 C SER A 60 -1.608 -7.146 -10.601 1.00 0.00 C ATOM 955 O SER A 60 -0.703 -7.389 -11.400 1.00 0.00 O ATOM 956 CB SER A 60 -3.805 -6.629 -11.680 1.00 0.00 C ATOM 957 OG SER A 60 -5.111 -7.097 -11.968 1.00 0.00 O ATOM 0 H SER A 60 -4.523 -7.320 -9.422 1.00 0.00 H new ATOM 0 HA SER A 60 -2.974 -8.586 -11.405 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.865 -5.685 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.273 -6.430 -12.610 1.00 0.00 H new ATOM 0 HG SER A 60 -5.590 -6.426 -12.498 1.00 0.00 H new ATOM 963 N LEU A 61 -1.419 -6.442 -9.486 1.00 0.00 N ATOM 964 CA LEU A 61 -0.107 -5.914 -9.139 1.00 0.00 C ATOM 965 C LEU A 61 0.861 -7.038 -8.787 1.00 0.00 C ATOM 966 O LEU A 61 2.056 -6.946 -9.073 1.00 0.00 O ATOM 967 CB LEU A 61 -0.205 -4.905 -7.990 1.00 0.00 C ATOM 968 CG LEU A 61 -0.549 -3.481 -8.423 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.053 -3.265 -8.420 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.148 -2.474 -7.525 1.00 0.00 C ATOM 0 H LEU A 61 -2.155 -6.227 -8.813 1.00 0.00 H new ATOM 0 HA LEU A 61 0.282 -5.394 -10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.962 -5.249 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.745 -4.889 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.193 -3.333 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.275 -2.244 -8.732 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.523 -3.965 -9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.442 -3.430 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.106 -1.464 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.176 -2.620 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.227 -2.614 -7.590 1.00 0.00 H new ATOM 982 N LEU A 62 0.349 -8.098 -8.159 1.00 0.00 N ATOM 983 CA LEU A 62 1.185 -9.239 -7.808 1.00 0.00 C ATOM 984 C LEU A 62 1.903 -9.721 -9.056 1.00 0.00 C ATOM 985 O LEU A 62 3.055 -10.155 -9.008 1.00 0.00 O ATOM 986 CB LEU A 62 0.333 -10.376 -7.243 1.00 0.00 C ATOM 987 CG LEU A 62 -0.484 -10.039 -5.992 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.632 -11.024 -5.831 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.401 -10.057 -4.751 1.00 0.00 C ATOM 0 H LEU A 62 -0.630 -8.187 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 62 1.905 -8.934 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.352 -10.713 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.989 -11.215 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.894 -9.036 -6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.204 -10.773 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.281 -10.972 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.234 -12.034 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.198 -9.815 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.838 -11.048 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.197 -9.321 -4.861 1.00 0.00 H new ATOM 1001 N HIS A 63 1.195 -9.635 -10.175 1.00 0.00 N ATOM 1002 CA HIS A 63 1.729 -10.036 -11.464 1.00 0.00 C ATOM 1003 C HIS A 63 2.876 -9.118 -11.866 1.00 0.00 C ATOM 1004 O HIS A 63 3.895 -9.573 -12.385 1.00 0.00 O ATOM 1005 CB HIS A 63 0.622 -9.994 -12.517 1.00 0.00 C ATOM 1006 CG HIS A 63 1.069 -10.425 -13.880 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.901 -11.709 -14.356 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.676 -9.734 -14.875 1.00 0.00 C ATOM 1009 CE1 HIS A 63 1.386 -11.788 -15.582 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.862 -10.604 -15.920 1.00 0.00 N ATOM 0 H HIS A 63 0.237 -9.286 -10.212 1.00 0.00 H new ATOM 0 HA HIS A 63 2.110 -11.055 -11.391 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.198 -10.635 -12.194 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.229 -8.979 -12.578 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.961 -8.692 -14.850 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.392 -12.672 -16.203 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.297 -10.373 -16.813 1.00 0.00 H new ATOM 1019 N ARG A 64 2.702 -7.820 -11.623 1.00 0.00 N ATOM 1020 CA ARG A 64 3.735 -6.850 -11.952 1.00 0.00 C ATOM 1021 C ARG A 64 4.911 -6.984 -10.994 1.00 0.00 C ATOM 1022 O ARG A 64 5.937 -6.322 -11.158 1.00 0.00 O ATOM 1023 CB ARG A 64 3.165 -5.432 -11.894 1.00 0.00 C ATOM 1024 CG ARG A 64 2.003 -5.202 -12.847 1.00 0.00 C ATOM 1025 CD ARG A 64 2.431 -5.346 -14.299 1.00 0.00 C ATOM 1026 NE ARG A 64 1.326 -5.101 -15.223 1.00 0.00 N ATOM 1027 CZ ARG A 64 1.442 -5.167 -16.546 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.609 -5.472 -17.098 1.00 0.00 N ATOM 1029 NH2 ARG A 64 0.391 -4.930 -17.319 1.00 0.00 N ATOM 0 H ARG A 64 1.862 -7.422 -11.203 1.00 0.00 H new ATOM 0 HA ARG A 64 4.087 -7.045 -12.965 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.836 -5.224 -10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.959 -4.721 -12.124 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.207 -5.914 -12.630 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.592 -4.206 -12.686 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.241 -4.647 -14.509 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.825 -6.349 -14.463 1.00 0.00 H new ATOM 0 HE ARG A 64 0.414 -4.866 -14.831 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.420 -5.657 -16.507 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.695 -5.522 -18.113 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.509 -4.696 -16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.482 -4.981 -18.334 1.00 0.00 H new ATOM 1043 N ASN A 65 4.745 -7.843 -9.989 1.00 0.00 N ATOM 1044 CA ASN A 65 5.790 -8.084 -8.998 1.00 0.00 C ATOM 1045 C ASN A 65 6.028 -6.856 -8.124 1.00 0.00 C ATOM 1046 O ASN A 65 7.144 -6.623 -7.662 1.00 0.00 O ATOM 1047 CB ASN A 65 7.092 -8.506 -9.683 1.00 0.00 C ATOM 1048 CG ASN A 65 6.928 -9.771 -10.505 1.00 0.00 C ATOM 1049 OD1 ASN A 65 6.004 -10.632 -10.090 1.00 0.00 O flip ATOM 1050 ND2 ASN A 65 7.621 -9.970 -11.502 1.00 0.00 N flip ATOM 0 H ASN A 65 3.894 -8.385 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 65 5.450 -8.894 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.438 -7.699 -10.328 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.862 -8.663 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.319 -9.281 -11.784 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.498 -10.824 -12.047 1.00 0.00 H new ATOM 1057 N LEU A 66 4.975 -6.074 -7.900 1.00 0.00 N ATOM 1058 CA LEU A 66 5.078 -4.887 -7.054 1.00 0.00 C ATOM 1059 C LEU A 66 4.564 -5.211 -5.659 1.00 0.00 C ATOM 1060 O LEU A 66 4.898 -4.541 -4.682 1.00 0.00 O ATOM 1061 CB LEU A 66 4.285 -3.719 -7.635 1.00 0.00 C ATOM 1062 CG LEU A 66 4.465 -3.467 -9.137 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.064 -2.044 -9.481 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.899 -3.723 -9.573 1.00 0.00 C ATOM 0 H LEU A 66 4.047 -6.239 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 66 6.126 -4.593 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.227 -3.891 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.565 -2.813 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 66 3.819 -4.163 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.196 -1.877 -10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.019 -1.886 -9.216 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.689 -1.345 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.993 -3.535 -10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.569 -3.058 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.164 -4.759 -9.362 1.00 0.00 H new ATOM 1076 N VAL A 67 3.742 -6.251 -5.590 1.00 0.00 N ATOM 1077 CA VAL A 67 3.176 -6.714 -4.331 1.00 0.00 C ATOM 1078 C VAL A 67 3.357 -8.221 -4.204 1.00 0.00 C ATOM 1079 O VAL A 67 3.529 -8.918 -5.203 1.00 0.00 O ATOM 1080 CB VAL A 67 1.678 -6.374 -4.218 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.479 -4.886 -3.995 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.939 -6.829 -5.459 1.00 0.00 C ATOM 0 H VAL A 67 3.450 -6.795 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 67 3.704 -6.202 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 67 1.270 -6.904 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.414 -4.669 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.978 -4.586 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.903 -4.333 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.118 -6.582 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.352 -6.326 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.051 -7.907 -5.574 1.00 0.00 H new ATOM 1092 N LEU A 68 3.319 -8.719 -2.977 1.00 0.00 N ATOM 1093 CA LEU A 68 3.491 -10.145 -2.734 1.00 0.00 C ATOM 1094 C LEU A 68 2.220 -10.758 -2.164 1.00 0.00 C ATOM 1095 O LEU A 68 1.591 -10.174 -1.293 1.00 0.00 O ATOM 1096 CB LEU A 68 4.640 -10.376 -1.757 1.00 0.00 C ATOM 1097 CG LEU A 68 5.137 -11.821 -1.677 1.00 0.00 C ATOM 1098 CD1 LEU A 68 5.780 -12.240 -2.991 1.00 0.00 C ATOM 1099 CD2 LEU A 68 6.116 -11.985 -0.527 1.00 0.00 C ATOM 0 H LEU A 68 3.171 -8.160 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 68 3.716 -10.623 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.474 -9.735 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.322 -10.061 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 68 4.280 -12.469 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.127 -13.270 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.048 -12.163 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.626 -11.587 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.459 -13.019 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.970 -11.325 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.622 -11.729 0.410 1.00 0.00 H new ATOM 1111 N ARG A 69 1.851 -11.934 -2.658 1.00 0.00 N ATOM 1112 CA ARG A 69 0.653 -12.619 -2.171 1.00 0.00 C ATOM 1113 C ARG A 69 1.030 -13.718 -1.190 1.00 0.00 C ATOM 1114 O ARG A 69 2.122 -14.281 -1.267 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.154 -13.210 -3.325 1.00 0.00 C ATOM 1116 CG ARG A 69 0.702 -13.801 -4.428 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.099 -14.751 -5.301 1.00 0.00 C ATOM 1118 NE ARG A 69 0.708 -15.326 -6.372 1.00 0.00 N ATOM 1119 CZ ARG A 69 0.236 -16.181 -7.274 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -1.034 -16.559 -7.234 1.00 0.00 N ATOM 1121 NH2 ARG A 69 1.035 -16.660 -8.218 1.00 0.00 N ATOM 0 H ARG A 69 2.357 -12.432 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 69 0.034 -11.881 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.815 -13.985 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.790 -12.432 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.113 -12.999 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.547 -14.332 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.506 -15.552 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.947 -14.218 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 69 1.690 -15.057 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.652 -16.194 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.393 -17.215 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.013 -16.372 -8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.671 -17.316 -8.909 1.00 0.00 H new ATOM 1135 N THR A 70 0.124 -14.025 -0.265 1.00 0.00 N ATOM 1136 CA THR A 70 0.415 -15.051 0.723 1.00 0.00 C ATOM 1137 C THR A 70 -0.775 -15.989 0.964 1.00 0.00 C ATOM 1138 O THR A 70 -1.816 -15.885 0.314 1.00 0.00 O ATOM 1139 CB THR A 70 0.886 -14.420 2.047 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.684 -13.266 1.765 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.719 -15.397 2.864 1.00 0.00 C ATOM 0 H THR A 70 -0.794 -13.589 -0.181 1.00 0.00 H new ATOM 0 HA THR A 70 1.223 -15.659 0.317 1.00 0.00 H new ATOM 0 HB THR A 70 0.001 -14.148 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.123 -12.572 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.035 -14.919 3.791 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.122 -16.279 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.598 -15.693 2.291 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.578 -16.913 1.896 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.550 -17.945 2.250 1.00 0.00 C ATOM 1151 C HIS A 71 -3.020 -17.508 2.259 1.00 0.00 C ATOM 1152 O HIS A 71 -3.822 -18.047 1.496 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.208 -18.402 3.658 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.608 -19.767 3.736 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.322 -20.925 3.517 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.658 -20.151 4.012 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.519 -21.966 3.656 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.688 -21.523 3.956 1.00 0.00 N ATOM 0 H HIS A 71 0.282 -16.969 2.441 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.474 -18.714 1.481 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.513 -17.688 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.114 -18.382 4.263 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.491 -19.500 4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.802 -23.002 3.543 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.509 -22.105 4.120 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.364 -16.523 3.094 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.771 -16.098 3.157 1.00 0.00 C ATOM 1169 C GLN A 72 -4.992 -15.078 4.284 1.00 0.00 C ATOM 1170 O GLN A 72 -4.394 -15.202 5.352 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.677 -17.316 3.399 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.149 -16.976 3.570 1.00 0.00 C ATOM 1173 CD GLN A 72 -8.005 -18.201 3.821 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.216 -18.600 4.967 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -8.504 -18.805 2.749 1.00 0.00 N ATOM 0 H GLN A 72 -2.724 -16.023 3.711 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.021 -15.630 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.570 -18.006 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.331 -17.840 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.263 -16.281 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.506 -16.465 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.303 -18.440 1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.088 -19.634 2.856 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.853 -14.051 4.071 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.586 -13.837 2.811 1.00 0.00 C ATOM 1186 C PRO A 73 -5.632 -13.595 1.660 1.00 0.00 C ATOM 1187 O PRO A 73 -6.041 -13.496 0.503 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.434 -12.588 3.081 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.478 -12.461 4.564 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.177 -13.017 5.065 1.00 0.00 C ATOM 0 HA PRO A 73 -7.186 -14.702 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.991 -11.704 2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.436 -12.694 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.598 -11.420 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.323 -13.011 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.404 -12.250 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.277 -13.437 6.066 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.360 -13.507 2.036 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.236 -13.289 1.129 1.00 0.00 C ATOM 1200 C ALA A 74 -2.441 -12.090 1.607 1.00 0.00 C ATOM 1201 O ALA A 74 -2.700 -10.959 1.196 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.668 -13.093 -0.319 1.00 0.00 C ATOM 0 H ALA A 74 -4.073 -13.588 3.011 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.619 -14.188 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.788 -12.936 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.203 -13.979 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.322 -12.224 -0.389 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.480 -12.338 2.488 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.663 -11.257 3.022 1.00 0.00 C ATOM 1210 C ARG A 75 0.052 -10.544 1.880 1.00 0.00 C ATOM 1211 O ARG A 75 0.661 -11.184 1.023 1.00 0.00 O ATOM 1212 CB ARG A 75 0.345 -11.815 4.029 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.296 -12.674 5.110 1.00 0.00 C ATOM 1214 CD ARG A 75 0.712 -13.610 5.761 1.00 0.00 C ATOM 1215 NE ARG A 75 0.195 -14.198 6.994 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.880 -15.051 7.750 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.108 -15.413 7.402 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.338 -15.543 8.855 1.00 0.00 N ATOM 0 H ARG A 75 -1.249 -13.266 2.844 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.300 -10.538 3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.089 -12.408 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.875 -10.987 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.738 -12.031 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.107 -13.259 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.973 -14.405 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.629 -13.062 5.977 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.746 -13.939 7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.529 -15.037 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.631 -16.067 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.606 -15.267 9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.865 -16.197 9.434 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.032 -9.218 1.863 1.00 0.00 N ATOM 1233 CA TYR A 76 0.608 -8.465 0.797 1.00 0.00 C ATOM 1234 C TYR A 76 1.830 -7.707 1.289 1.00 0.00 C ATOM 1235 O TYR A 76 1.793 -7.042 2.325 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.397 -7.527 0.128 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.499 -8.276 -0.591 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.211 -9.070 -1.694 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.817 -8.205 -0.160 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.205 -9.772 -2.350 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.817 -8.906 -0.809 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.505 -9.688 -1.902 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.498 -10.387 -2.549 1.00 0.00 O ATOM 0 H TYR A 76 -0.524 -8.656 2.557 1.00 0.00 H new ATOM 0 HA TYR A 76 0.961 -9.179 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.838 -6.874 0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.126 -6.886 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.192 -9.140 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.065 -7.593 0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.964 -10.382 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.838 -8.842 -0.462 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.357 -10.220 -2.107 1.00 0.00 H new ATOM 1253 N SER A 77 2.911 -7.810 0.522 1.00 0.00 N ATOM 1254 CA SER A 77 4.156 -7.148 0.885 1.00 0.00 C ATOM 1255 C SER A 77 4.810 -6.497 -0.328 1.00 0.00 C ATOM 1256 O SER A 77 4.921 -7.107 -1.391 1.00 0.00 O ATOM 1257 CB SER A 77 5.123 -8.151 1.520 1.00 0.00 C ATOM 1258 OG SER A 77 6.347 -7.528 1.867 1.00 0.00 O ATOM 0 H SER A 77 2.949 -8.341 -0.348 1.00 0.00 H new ATOM 0 HA SER A 77 3.921 -6.366 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.668 -8.587 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.312 -8.969 0.825 1.00 0.00 H new ATOM 0 HG SER A 77 6.304 -7.217 2.795 1.00 0.00 H new ATOM 1264 N LEU A 78 5.242 -5.253 -0.156 1.00 0.00 N ATOM 1265 CA LEU A 78 5.894 -4.511 -1.230 1.00 0.00 C ATOM 1266 C LEU A 78 7.129 -5.241 -1.743 1.00 0.00 C ATOM 1267 O LEU A 78 8.019 -5.588 -0.966 1.00 0.00 O ATOM 1268 CB LEU A 78 6.335 -3.138 -0.731 1.00 0.00 C ATOM 1269 CG LEU A 78 5.293 -2.027 -0.793 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.942 -0.702 -0.445 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.656 -1.956 -2.170 1.00 0.00 C ATOM 0 H LEU A 78 5.153 -4.736 0.719 1.00 0.00 H new ATOM 0 HA LEU A 78 5.168 -4.413 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.664 -3.240 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.202 -2.826 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 78 4.507 -2.245 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.196 0.091 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.357 -0.753 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.740 -0.490 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.916 -1.156 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.425 -1.757 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.169 -2.905 -2.395 1.00 0.00 H new ATOM 1283 N THR A 79 7.189 -5.471 -3.050 1.00 0.00 N ATOM 1284 CA THR A 79 8.355 -6.112 -3.629 1.00 0.00 C ATOM 1285 C THR A 79 9.372 -5.029 -4.012 1.00 0.00 C ATOM 1286 O THR A 79 9.095 -3.851 -3.810 1.00 0.00 O ATOM 1287 CB THR A 79 7.960 -6.955 -4.856 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.567 -6.794 -5.128 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.257 -8.431 -4.627 1.00 0.00 C ATOM 0 H THR A 79 6.456 -5.227 -3.716 1.00 0.00 H new ATOM 0 HA THR A 79 8.802 -6.788 -2.900 1.00 0.00 H new ATOM 0 HB THR A 79 8.548 -6.608 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.217 -7.612 -5.538 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.968 -9.002 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.323 -8.563 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.693 -8.786 -3.765 1.00 0.00 H new ATOM 1297 N PRO A 80 10.556 -5.381 -4.553 1.00 0.00 N ATOM 1298 CA PRO A 80 11.570 -4.384 -4.928 1.00 0.00 C ATOM 1299 C PRO A 80 10.996 -3.178 -5.668 1.00 0.00 C ATOM 1300 O PRO A 80 11.229 -2.035 -5.274 1.00 0.00 O ATOM 1301 CB PRO A 80 12.486 -5.178 -5.851 1.00 0.00 C ATOM 1302 CG PRO A 80 12.438 -6.562 -5.308 1.00 0.00 C ATOM 1303 CD PRO A 80 11.032 -6.758 -4.806 1.00 0.00 C ATOM 0 HA PRO A 80 12.057 -3.955 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.139 -5.143 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.501 -4.781 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.683 -7.293 -6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.162 -6.692 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.411 -7.267 -5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.011 -7.362 -3.899 1.00 0.00 H new ATOM 1311 N GLU A 81 10.251 -3.430 -6.735 1.00 0.00 N ATOM 1312 CA GLU A 81 9.665 -2.345 -7.510 1.00 0.00 C ATOM 1313 C GLU A 81 8.640 -1.572 -6.689 1.00 0.00 C ATOM 1314 O GLU A 81 8.657 -0.342 -6.665 1.00 0.00 O ATOM 1315 CB GLU A 81 9.014 -2.892 -8.777 1.00 0.00 C ATOM 1316 CG GLU A 81 10.005 -3.417 -9.801 1.00 0.00 C ATOM 1317 CD GLU A 81 10.849 -4.561 -9.275 1.00 0.00 C ATOM 1318 OE1 GLU A 81 10.352 -5.706 -9.255 1.00 0.00 O ATOM 1319 OE2 GLU A 81 12.007 -4.310 -8.882 1.00 0.00 O ATOM 0 H GLU A 81 10.039 -4.366 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 81 10.466 -1.660 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.329 -3.695 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.416 -2.104 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.463 -3.750 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.660 -2.604 -10.115 1.00 0.00 H new ATOM 1326 N GLY A 82 7.746 -2.295 -6.020 1.00 0.00 N ATOM 1327 CA GLY A 82 6.747 -1.618 -5.210 1.00 0.00 C ATOM 1328 C GLY A 82 7.381 -0.787 -4.119 1.00 0.00 C ATOM 1329 O GLY A 82 6.834 0.231 -3.705 1.00 0.00 O ATOM 0 H GLY A 82 7.694 -3.314 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.136 -0.978 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.079 -2.355 -4.764 1.00 0.00 H new ATOM 1333 N LEU A 83 8.543 -1.232 -3.653 1.00 0.00 N ATOM 1334 CA LEU A 83 9.269 -0.527 -2.610 1.00 0.00 C ATOM 1335 C LEU A 83 9.770 0.805 -3.140 1.00 0.00 C ATOM 1336 O LEU A 83 9.537 1.854 -2.541 1.00 0.00 O ATOM 1337 CB LEU A 83 10.451 -1.373 -2.129 1.00 0.00 C ATOM 1338 CG LEU A 83 10.599 -1.500 -0.609 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.755 -0.135 0.038 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.407 -2.233 -0.017 1.00 0.00 C ATOM 0 H LEU A 83 9.001 -2.081 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 83 8.597 -0.348 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.355 -2.373 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.369 -0.944 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 83 11.500 -2.078 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.858 -0.253 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.643 0.357 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.876 0.473 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.529 -2.314 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.494 -1.681 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.342 -3.231 -0.450 1.00 0.00 H new ATOM 1352 N GLU A 84 10.458 0.749 -4.275 1.00 0.00 N ATOM 1353 CA GLU A 84 10.991 1.961 -4.891 1.00 0.00 C ATOM 1354 C GLU A 84 9.869 2.927 -5.223 1.00 0.00 C ATOM 1355 O GLU A 84 9.904 4.095 -4.836 1.00 0.00 O ATOM 1356 CB GLU A 84 11.768 1.621 -6.164 1.00 0.00 C ATOM 1357 CG GLU A 84 13.011 0.790 -5.911 1.00 0.00 C ATOM 1358 CD GLU A 84 13.687 0.345 -7.193 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.329 -0.734 -7.709 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.577 1.075 -7.679 1.00 0.00 O ATOM 0 H GLU A 84 10.659 -0.112 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 84 11.667 2.432 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.112 1.081 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.055 2.547 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.716 1.370 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.743 -0.088 -5.323 1.00 0.00 H new ATOM 1367 N LEU A 85 8.871 2.425 -5.935 1.00 0.00 N ATOM 1368 CA LEU A 85 7.745 3.256 -6.310 1.00 0.00 C ATOM 1369 C LEU A 85 7.100 3.849 -5.066 1.00 0.00 C ATOM 1370 O LEU A 85 6.855 5.050 -4.996 1.00 0.00 O ATOM 1371 CB LEU A 85 6.721 2.430 -7.090 1.00 0.00 C ATOM 1372 CG LEU A 85 6.392 2.953 -8.489 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.428 2.013 -9.197 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.807 4.356 -8.415 1.00 0.00 C ATOM 0 H LEU A 85 8.820 1.459 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 85 8.100 4.068 -6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.093 1.410 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.799 2.383 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 85 7.318 2.997 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.205 2.401 -10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.882 1.026 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.505 1.937 -8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.580 4.709 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.893 4.338 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.529 5.027 -7.949 1.00 0.00 H new ATOM 1386 N ALA A 86 6.859 2.997 -4.074 1.00 0.00 N ATOM 1387 CA ALA A 86 6.238 3.445 -2.832 1.00 0.00 C ATOM 1388 C ALA A 86 7.008 4.605 -2.221 1.00 0.00 C ATOM 1389 O ALA A 86 6.409 5.554 -1.713 1.00 0.00 O ATOM 1390 CB ALA A 86 6.136 2.301 -1.841 1.00 0.00 C ATOM 0 H ALA A 86 7.082 2.002 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 86 5.232 3.792 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.670 2.656 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.531 1.502 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.134 1.922 -1.619 1.00 0.00 H new ATOM 1396 N GLN A 87 8.335 4.528 -2.263 1.00 0.00 N ATOM 1397 CA GLN A 87 9.162 5.599 -1.726 1.00 0.00 C ATOM 1398 C GLN A 87 8.788 6.908 -2.402 1.00 0.00 C ATOM 1399 O GLN A 87 8.816 7.975 -1.788 1.00 0.00 O ATOM 1400 CB GLN A 87 10.648 5.304 -1.948 1.00 0.00 C ATOM 1401 CG GLN A 87 11.174 4.148 -1.116 1.00 0.00 C ATOM 1402 CD GLN A 87 12.639 3.857 -1.380 1.00 0.00 C ATOM 1403 OE1 GLN A 87 12.977 3.063 -2.257 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.517 4.503 -0.620 1.00 0.00 N ATOM 0 H GLN A 87 8.854 3.744 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 87 8.987 5.674 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.812 5.084 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.225 6.199 -1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.037 4.375 -0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.586 3.255 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.191 5.153 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.517 4.349 -0.752 1.00 0.00 H new ATOM 1413 N LYS A 88 8.438 6.806 -3.679 1.00 0.00 N ATOM 1414 CA LYS A 88 8.041 7.977 -4.446 1.00 0.00 C ATOM 1415 C LYS A 88 6.666 8.467 -4.006 1.00 0.00 C ATOM 1416 O LYS A 88 6.468 9.654 -3.751 1.00 0.00 O ATOM 1417 CB LYS A 88 8.011 7.650 -5.937 1.00 0.00 C ATOM 1418 CG LYS A 88 9.107 6.692 -6.392 1.00 0.00 C ATOM 1419 CD LYS A 88 10.497 7.188 -6.022 1.00 0.00 C ATOM 1420 CE LYS A 88 11.570 6.176 -6.406 1.00 0.00 C ATOM 1421 NZ LYS A 88 12.939 6.675 -6.096 1.00 0.00 N ATOM 0 H LYS A 88 8.421 5.930 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 88 8.773 8.764 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.041 7.217 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.098 8.578 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.941 5.713 -5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.046 6.560 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.692 8.136 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.543 7.380 -4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.395 5.241 -5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.496 5.955 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.640 5.958 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.116 7.554 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.018 6.862 -5.076 1.00 0.00 H new ATOM 1435 N LEU A 89 5.717 7.537 -3.929 1.00 0.00 N ATOM 1436 CA LEU A 89 4.364 7.871 -3.512 1.00 0.00 C ATOM 1437 C LEU A 89 4.383 8.533 -2.142 1.00 0.00 C ATOM 1438 O LEU A 89 3.489 9.303 -1.790 1.00 0.00 O ATOM 1439 CB LEU A 89 3.515 6.601 -3.455 1.00 0.00 C ATOM 1440 CG LEU A 89 3.046 6.057 -4.806 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.220 5.748 -5.718 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.195 4.812 -4.607 1.00 0.00 C ATOM 0 H LEU A 89 5.862 6.552 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 89 3.934 8.565 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.089 5.824 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.638 6.799 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 89 2.443 6.829 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.851 5.364 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.794 6.658 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.859 5.000 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.868 4.436 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.783 4.047 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.323 5.060 -4.002 1.00 0.00 H new ATOM 1454 N ALA A 90 5.419 8.216 -1.379 1.00 0.00 N ATOM 1455 CA ALA A 90 5.569 8.756 -0.032 1.00 0.00 C ATOM 1456 C ALA A 90 6.028 10.210 -0.059 1.00 0.00 C ATOM 1457 O ALA A 90 5.684 10.996 0.823 1.00 0.00 O ATOM 1458 CB ALA A 90 6.547 7.905 0.760 1.00 0.00 C ATOM 0 H ALA A 90 6.169 7.588 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 90 4.594 8.729 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.654 8.314 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.173 6.883 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.517 7.907 0.262 1.00 0.00 H new ATOM 1464 N GLU A 91 6.809 10.553 -1.074 1.00 0.00 N ATOM 1465 CA GLU A 91 7.315 11.915 -1.215 1.00 0.00 C ATOM 1466 C GLU A 91 6.162 12.907 -1.189 1.00 0.00 C ATOM 1467 O GLU A 91 6.239 13.961 -0.559 1.00 0.00 O ATOM 1468 CB GLU A 91 8.093 12.072 -2.519 1.00 0.00 C ATOM 1469 CG GLU A 91 9.042 10.927 -2.788 1.00 0.00 C ATOM 1470 CD GLU A 91 9.777 11.072 -4.106 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.174 10.775 -5.158 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.956 11.486 -4.086 1.00 0.00 O ATOM 0 H GLU A 91 7.106 9.912 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 91 7.986 12.116 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.389 12.154 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.658 13.004 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.768 10.864 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.484 9.991 -2.789 1.00 0.00 H new ATOM 1479 N SER A 92 5.094 12.547 -1.887 1.00 0.00 N ATOM 1480 CA SER A 92 3.910 13.388 -1.966 1.00 0.00 C ATOM 1481 C SER A 92 3.242 13.550 -0.601 1.00 0.00 C ATOM 1482 O SER A 92 2.649 14.589 -0.313 1.00 0.00 O ATOM 1483 CB SER A 92 2.926 12.785 -2.966 1.00 0.00 C ATOM 1484 OG SER A 92 1.773 13.595 -3.106 1.00 0.00 O ATOM 0 H SER A 92 5.024 11.673 -2.409 1.00 0.00 H new ATOM 0 HA SER A 92 4.216 14.379 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.413 12.671 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.635 11.788 -2.636 1.00 0.00 H new ATOM 0 HG SER A 92 1.162 13.185 -3.753 1.00 0.00 H new ATOM 1490 N GLU A 93 3.339 12.519 0.236 1.00 0.00 N ATOM 1491 CA GLU A 93 2.739 12.569 1.561 1.00 0.00 C ATOM 1492 C GLU A 93 3.717 13.151 2.569 1.00 0.00 C ATOM 1493 O GLU A 93 3.400 13.288 3.751 1.00 0.00 O ATOM 1494 CB GLU A 93 2.350 11.163 2.006 1.00 0.00 C ATOM 1495 CG GLU A 93 1.570 10.383 0.966 1.00 0.00 C ATOM 1496 CD GLU A 93 0.168 10.922 0.759 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.735 10.539 1.531 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.025 11.730 -0.173 1.00 0.00 O ATOM 0 H GLU A 93 3.823 11.648 0.020 1.00 0.00 H new ATOM 0 HA GLU A 93 1.854 13.203 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.254 10.609 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.754 11.232 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.108 10.410 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.512 9.338 1.270 1.00 0.00 H new ATOM 1505 N GLY A 94 4.907 13.493 2.094 1.00 0.00 N ATOM 1506 CA GLY A 94 5.910 14.017 2.997 1.00 0.00 C ATOM 1507 C GLY A 94 6.581 12.886 3.743 1.00 0.00 C ATOM 1508 O GLY A 94 7.451 13.101 4.588 1.00 0.00 O ATOM 0 H GLY A 94 5.192 13.419 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.653 14.585 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.449 14.706 3.704 1.00 0.00 H new ATOM 1512 N LEU A 95 6.153 11.669 3.411 1.00 0.00 N ATOM 1513 CA LEU A 95 6.681 10.456 4.017 1.00 0.00 C ATOM 1514 C LEU A 95 6.397 10.422 5.514 1.00 0.00 C ATOM 1515 O LEU A 95 7.131 9.799 6.282 1.00 0.00 O ATOM 1516 CB LEU A 95 8.184 10.341 3.759 1.00 0.00 C ATOM 1517 CG LEU A 95 8.667 8.960 3.298 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.171 8.833 3.481 1.00 0.00 C ATOM 1519 CD2 LEU A 95 7.936 7.849 4.043 1.00 0.00 C ATOM 0 H LEU A 95 5.429 11.500 2.713 1.00 0.00 H new ATOM 0 HA LEU A 95 6.179 9.604 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.463 11.076 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.714 10.606 4.674 1.00 0.00 H new ATOM 0 HG LEU A 95 8.440 8.857 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.496 7.847 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.675 9.599 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.422 8.962 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.297 6.880 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.122 7.945 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.866 7.926 3.852 1.00 0.00 H new ATOM 1531 N SER A 96 5.322 11.088 5.921 1.00 0.00 N ATOM 1532 CA SER A 96 4.940 11.127 7.327 1.00 0.00 C ATOM 1533 C SER A 96 4.408 9.770 7.777 1.00 0.00 C ATOM 1534 O SER A 96 4.447 9.447 8.964 1.00 0.00 O ATOM 1535 CB SER A 96 3.884 12.208 7.562 1.00 0.00 C ATOM 1536 OG SER A 96 4.382 13.490 7.222 1.00 0.00 O ATOM 0 H SER A 96 4.702 11.607 5.299 1.00 0.00 H new ATOM 0 HA SER A 96 5.826 11.366 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.997 11.990 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.577 12.199 8.608 1.00 0.00 H new ATOM 0 HG SER A 96 3.687 14.163 7.380 1.00 0.00 H new ATOM 1542 N LEU A 97 3.893 9.000 6.815 1.00 0.00 N ATOM 1543 CA LEU A 97 3.357 7.667 7.106 1.00 0.00 C ATOM 1544 C LEU A 97 4.037 7.034 8.318 1.00 0.00 C ATOM 1545 O LEU A 97 3.457 6.973 9.401 1.00 0.00 O ATOM 1546 CB LEU A 97 3.518 6.751 5.888 1.00 0.00 C ATOM 1547 CG LEU A 97 2.926 7.284 4.579 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.874 8.278 3.917 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.613 6.135 3.634 1.00 0.00 C ATOM 0 H LEU A 97 3.836 9.274 5.834 1.00 0.00 H new ATOM 0 HA LEU A 97 2.298 7.786 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.581 6.562 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.052 5.791 6.113 1.00 0.00 H new ATOM 0 HG LEU A 97 1.998 7.806 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.431 8.641 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.048 9.118 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.822 7.786 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.193 6.529 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.528 5.586 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.893 5.464 4.103 1.00 0.00 H new