USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 126:sc= 0.937 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.763 USER MOD Set 2.1: A 7 THR OG1 : rot 131:sc= 1.01 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot -179:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.31 (180deg=1.68) USER MOD Single : A 2 GLN : amide:sc= -0.0167 X(o=-0.017,f=0.087) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.17) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0724 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.96 (180deg=1.68) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.0396 K(o=-0.04,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00526) USER MOD Single : A 40 GLN : amide:sc=-0.00687 K(o=-0.0069,f=-2!) USER MOD Single : A 41 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 59 TYR OH : rot -82:sc= 0.611 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.837 -6.752 -4.950 1.00 9.67 N ATOM 2 CA MET A 1 11.536 -6.623 -3.513 1.00 10.38 C ATOM 3 C MET A 1 10.138 -7.040 -2.993 1.00 9.62 C ATOM 4 O MET A 1 9.086 -6.701 -3.543 1.00 9.62 O ATOM 5 CB MET A 1 11.738 -5.096 -3.159 1.00 13.77 C ATOM 6 CG MET A 1 11.343 -4.787 -1.677 1.00 16.29 C ATOM 7 SD MET A 1 11.890 -3.091 -1.112 1.00 17.17 S ATOM 8 CE MET A 1 10.326 -2.207 -1.502 1.00 16.11 C ATOM 0 H1 MET A 1 12.867 -6.731 -5.092 1.00 9.67 H new ATOM 0 H2 MET A 1 11.457 -7.653 -5.305 1.00 9.67 H new ATOM 0 H3 MET A 1 11.400 -5.964 -5.468 1.00 9.67 H new ATOM 0 HA MET A 1 12.203 -7.335 -3.028 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.779 -4.819 -3.323 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.136 -4.484 -3.831 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.261 -4.868 -1.571 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.784 -5.541 -1.025 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.428 -1.154 -1.239 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.114 -2.296 -2.567 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.508 -2.646 -0.931 1.00 16.11 H new ATOM 20 N GLN A 2 10.051 -7.748 -1.822 1.00 9.27 N ATOM 21 CA GLN A 2 8.843 -8.260 -1.289 1.00 9.07 C ATOM 22 C GLN A 2 8.393 -7.309 -0.256 1.00 8.72 C ATOM 23 O GLN A 2 9.158 -6.755 0.530 1.00 8.22 O ATOM 24 CB GLN A 2 9.051 -9.677 -0.602 1.00 14.46 C ATOM 25 CG GLN A 2 7.842 -10.322 0.051 1.00 17.01 C ATOM 26 CD GLN A 2 8.157 -11.840 0.205 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.215 -12.362 1.318 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.133 -12.601 -0.901 1.00 19.49 N ATOM 0 H GLN A 2 10.865 -7.958 -1.245 1.00 9.27 H new ATOM 0 HA GLN A 2 8.120 -8.382 -2.095 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.433 -10.364 -1.357 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.827 -9.573 0.156 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.642 -9.870 1.023 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.951 -10.174 -0.559 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.085 -12.163 -1.821 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.163 -13.617 -0.821 1.00 19.49 H new ATOM 37 N ILE A 3 7.038 -7.116 -0.231 1.00 5.87 N ATOM 38 CA ILE A 3 6.411 -6.493 0.897 1.00 5.07 C ATOM 39 C ILE A 3 5.125 -7.159 1.143 1.00 4.01 C ATOM 40 O ILE A 3 4.587 -7.844 0.225 1.00 4.61 O ATOM 41 CB ILE A 3 6.160 -4.967 0.825 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.502 -4.534 -0.547 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.503 -4.299 1.051 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.760 -3.235 -0.438 1.00 10.83 C ATOM 0 H ILE A 3 6.402 -7.389 -0.980 1.00 5.87 H new ATOM 0 HA ILE A 3 7.136 -6.611 1.702 1.00 5.07 H new ATOM 0 HB ILE A 3 5.444 -4.659 1.587 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.278 -4.444 -1.307 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.818 -5.314 -0.881 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.382 -3.216 1.010 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.891 -4.584 2.029 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.202 -4.616 0.277 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.327 -2.981 -1.405 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.965 -3.331 0.302 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.448 -2.448 -0.131 1.00 10.83 H new ATOM 56 N PHE A 4 4.563 -6.889 2.314 1.00 4.55 N ATOM 57 CA PHE A 4 3.339 -7.459 2.768 1.00 4.68 C ATOM 58 C PHE A 4 2.336 -6.355 2.987 1.00 5.30 C ATOM 59 O PHE A 4 2.628 -5.235 3.376 1.00 5.58 O ATOM 60 CB PHE A 4 3.593 -8.192 4.119 1.00 4.83 C ATOM 61 CG PHE A 4 4.530 -9.316 4.075 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.251 -10.384 3.223 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.665 -9.381 4.872 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.097 -11.502 3.123 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.487 -10.503 4.785 1.00 10.61 C ATOM 66 CZ PHE A 4 6.284 -11.509 3.849 1.00 8.90 C ATOM 0 H PHE A 4 4.976 -6.241 2.985 1.00 4.55 H new ATOM 0 HA PHE A 4 2.959 -8.164 2.029 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.964 -7.464 4.840 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.638 -8.556 4.497 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.356 -10.351 2.620 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.907 -8.575 5.549 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.831 -12.339 2.495 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.315 -10.594 5.473 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.027 -12.276 3.689 1.00 8.90 H new ATOM 76 N VAL A 5 1.048 -6.663 2.781 1.00 4.44 N ATOM 77 CA VAL A 5 -0.034 -5.714 3.060 1.00 3.87 C ATOM 78 C VAL A 5 -1.050 -6.452 3.998 1.00 4.93 C ATOM 79 O VAL A 5 -1.430 -7.630 3.823 1.00 6.84 O ATOM 80 CB VAL A 5 -0.711 -5.068 1.840 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.051 -4.393 2.178 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.220 -4.085 1.192 1.00 9.13 C ATOM 0 H VAL A 5 0.732 -7.564 2.422 1.00 4.44 H new ATOM 0 HA VAL A 5 0.405 -4.840 3.542 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.938 -5.875 1.143 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.477 -3.957 1.274 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.740 -5.134 2.583 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.887 -3.609 2.917 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.270 -3.634 0.329 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.483 -3.306 1.908 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.124 -4.600 0.867 1.00 9.13 H new ATOM 92 N LYS A 6 -1.486 -5.746 5.109 1.00 6.04 N ATOM 93 CA LYS A 6 -2.285 -6.324 6.147 1.00 6.12 C ATOM 94 C LYS A 6 -3.716 -5.787 5.990 1.00 6.57 C ATOM 95 O LYS A 6 -3.986 -4.598 6.276 1.00 5.76 O ATOM 96 CB LYS A 6 -1.783 -5.990 7.552 1.00 7.45 C ATOM 97 CG LYS A 6 -2.497 -6.689 8.719 1.00 11.12 C ATOM 98 CD LYS A 6 -2.193 -8.235 8.818 1.00 14.54 C ATOM 99 CE LYS A 6 -0.757 -8.592 9.275 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.642 -10.035 9.282 1.00 20.55 N ATOM 0 H LYS A 6 -1.266 -4.762 5.264 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.235 -7.408 6.045 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.723 -6.238 7.603 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.866 -4.913 7.697 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.202 -6.210 9.653 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.572 -6.546 8.613 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.902 -8.686 9.513 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.371 -8.688 7.843 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.021 -8.153 8.601 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.560 -8.188 10.268 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.334 -10.304 9.520 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.293 -10.432 9.989 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.884 -10.407 8.342 1.00 20.55 H new ATOM 114 N THR A 7 -4.694 -6.674 5.640 1.00 7.41 N ATOM 115 CA THR A 7 -6.043 -6.311 5.460 1.00 7.48 C ATOM 116 C THR A 7 -6.743 -5.948 6.806 1.00 8.75 C ATOM 117 O THR A 7 -6.284 -6.269 7.896 1.00 8.58 O ATOM 118 CB THR A 7 -6.897 -7.347 4.756 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.017 -8.508 5.548 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.316 -7.684 3.306 1.00 9.17 C ATOM 0 H THR A 7 -4.515 -7.666 5.484 1.00 7.41 H new ATOM 0 HA THR A 7 -5.976 -5.438 4.811 1.00 7.48 H new ATOM 0 HB THR A 7 -7.895 -6.931 4.616 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.961 -8.765 5.611 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.949 -8.430 2.825 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.299 -6.777 2.701 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.303 -8.075 3.402 1.00 9.17 H new ATOM 128 N LEU A 8 -7.855 -5.183 6.761 1.00 9.84 N ATOM 129 CA LEU A 8 -8.727 -4.972 7.951 1.00 14.15 C ATOM 130 C LEU A 8 -9.312 -6.296 8.455 1.00 17.37 C ATOM 131 O LEU A 8 -9.535 -6.501 9.635 1.00 17.01 O ATOM 132 CB LEU A 8 -9.901 -3.968 7.672 1.00 16.63 C ATOM 133 CG LEU A 8 -9.465 -2.521 7.455 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.568 -1.624 6.750 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.067 -1.947 8.780 1.00 18.59 C ATOM 0 H LEU A 8 -8.174 -4.701 5.921 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.083 -4.539 8.717 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.447 -4.305 6.791 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.597 -4.002 8.510 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.620 -2.522 6.767 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.189 -0.609 6.628 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.806 -2.042 5.772 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.468 -1.604 7.365 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.751 -0.912 8.648 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.916 -1.983 9.462 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.243 -2.527 9.195 1.00 18.59 H new ATOM 147 N THR A 9 -9.502 -7.392 7.670 1.00 18.33 N ATOM 148 CA THR A 9 -9.856 -8.722 8.132 1.00 19.24 C ATOM 149 C THR A 9 -8.694 -9.571 8.660 1.00 19.48 C ATOM 150 O THR A 9 -8.863 -10.741 8.986 1.00 23.14 O ATOM 151 CB THR A 9 -10.428 -9.555 7.020 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.610 -9.431 5.866 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.728 -8.942 6.610 1.00 19.70 C ATOM 0 H THR A 9 -9.403 -7.348 6.656 1.00 18.33 H new ATOM 0 HA THR A 9 -10.557 -8.505 8.938 1.00 19.24 H new ATOM 0 HB THR A 9 -10.513 -10.587 7.360 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.982 -9.976 5.141 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.167 -9.527 5.802 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.409 -8.930 7.461 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.557 -7.921 6.267 1.00 19.70 H new ATOM 161 N GLY A 10 -7.469 -8.950 8.687 1.00 19.43 N ATOM 162 CA GLY A 10 -6.220 -9.517 9.317 1.00 18.74 C ATOM 163 C GLY A 10 -5.524 -10.610 8.537 1.00 17.62 C ATOM 164 O GLY A 10 -4.677 -11.344 8.925 1.00 19.74 O ATOM 0 H GLY A 10 -7.317 -8.032 8.268 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.513 -8.702 9.473 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.478 -9.908 10.301 1.00 18.74 H new ATOM 168 N LYS A 11 -5.931 -10.698 7.311 1.00 13.56 N ATOM 169 CA LYS A 11 -5.365 -11.519 6.294 1.00 11.91 C ATOM 170 C LYS A 11 -4.156 -10.871 5.749 1.00 10.18 C ATOM 171 O LYS A 11 -4.154 -9.627 5.663 1.00 9.10 O ATOM 172 CB LYS A 11 -6.406 -11.748 5.192 1.00 13.43 C ATOM 173 CG LYS A 11 -5.939 -12.550 3.968 1.00 16.69 C ATOM 174 CD LYS A 11 -7.026 -12.850 2.916 1.00 17.92 C ATOM 175 CE LYS A 11 -7.143 -11.823 1.832 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.122 -12.273 0.772 1.00 21.93 N ATOM 0 H LYS A 11 -6.726 -10.157 6.972 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.078 -12.484 6.711 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.261 -12.262 5.631 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.760 -10.776 4.849 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.131 -12.002 3.484 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.521 -13.496 4.313 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.816 -13.818 2.461 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.988 -12.938 3.421 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.471 -10.874 2.257 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.166 -11.650 1.381 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.076 -11.625 -0.040 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.879 -13.235 0.462 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.085 -12.268 1.164 1.00 21.93 H new ATOM 190 N THR A 12 -3.078 -11.577 5.375 1.00 9.63 N ATOM 191 CA THR A 12 -1.857 -10.901 4.827 1.00 9.85 C ATOM 192 C THR A 12 -1.702 -11.267 3.354 1.00 11.66 C ATOM 193 O THR A 12 -1.651 -12.421 2.952 1.00 12.33 O ATOM 194 CB THR A 12 -0.543 -11.324 5.543 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.687 -11.257 6.876 1.00 10.91 O ATOM 196 CG2 THR A 12 0.587 -10.240 5.291 1.00 9.63 C ATOM 0 H THR A 12 -3.010 -12.593 5.434 1.00 9.63 H new ATOM 0 HA THR A 12 -2.004 -9.832 4.982 1.00 9.85 H new ATOM 0 HB THR A 12 -0.305 -12.321 5.172 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.154 -11.513 7.309 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.503 -10.545 5.796 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.775 -10.152 4.221 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.261 -9.276 5.682 1.00 9.63 H new ATOM 204 N ILE A 13 -1.571 -10.244 2.527 1.00 10.42 N ATOM 205 CA ILE A 13 -1.186 -10.334 1.127 1.00 11.84 C ATOM 206 C ILE A 13 0.164 -9.951 0.704 1.00 10.55 C ATOM 207 O ILE A 13 0.831 -9.137 1.314 1.00 11.92 O ATOM 208 CB ILE A 13 -2.291 -9.639 0.212 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.221 -8.124 0.248 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.671 -10.231 0.544 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.375 -7.439 -0.489 1.00 16.46 C ATOM 0 H ILE A 13 -1.738 -9.283 2.826 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.134 -11.413 0.985 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.088 -9.868 -0.834 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.217 -7.793 1.287 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.277 -7.802 -0.192 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.429 -9.758 -0.080 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.662 -11.304 0.353 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.901 -10.051 1.594 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.259 -6.357 -0.421 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.367 -7.740 -1.537 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.322 -7.731 -0.035 1.00 16.46 H new ATOM 223 N THR A 14 0.682 -10.673 -0.289 1.00 9.39 N ATOM 224 CA THR A 14 2.116 -10.602 -0.565 1.00 9.63 C ATOM 225 C THR A 14 2.349 -10.010 -1.940 1.00 11.20 C ATOM 226 O THR A 14 1.818 -10.519 -2.943 1.00 11.63 O ATOM 227 CB THR A 14 2.729 -11.941 -0.552 1.00 10.38 C ATOM 228 OG1 THR A 14 2.419 -12.608 0.702 1.00 16.30 O ATOM 229 CG2 THR A 14 4.255 -11.893 -0.643 1.00 11.66 C ATOM 0 H THR A 14 0.150 -11.295 -0.898 1.00 9.39 H new ATOM 0 HA THR A 14 2.565 -9.982 0.211 1.00 9.63 H new ATOM 0 HB THR A 14 2.327 -12.467 -1.418 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.826 -13.499 0.708 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.652 -12.908 -0.629 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.549 -11.401 -1.570 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.653 -11.336 0.205 1.00 11.66 H new ATOM 237 N LEU A 15 3.130 -8.902 -2.032 1.00 8.29 N ATOM 238 CA LEU A 15 3.333 -8.209 -3.276 1.00 9.03 C ATOM 239 C LEU A 15 4.821 -8.204 -3.577 1.00 8.59 C ATOM 240 O LEU A 15 5.620 -7.781 -2.754 1.00 7.79 O ATOM 241 CB LEU A 15 2.835 -6.764 -3.198 1.00 11.08 C ATOM 242 CG LEU A 15 1.437 -6.536 -2.684 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.989 -5.083 -2.499 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.446 -7.207 -3.525 1.00 15.27 C ATOM 0 H LEU A 15 3.621 -8.488 -1.239 1.00 8.29 H new ATOM 0 HA LEU A 15 2.772 -8.718 -4.060 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.522 -6.205 -2.562 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.901 -6.331 -4.196 1.00 11.08 H new ATOM 0 HG LEU A 15 1.490 -6.962 -1.682 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.035 -5.063 -2.125 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.646 -4.588 -1.784 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.036 -4.563 -3.456 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.552 -7.023 -3.128 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.509 -6.819 -4.542 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.642 -8.279 -3.533 1.00 15.27 H new ATOM 256 N GLU A 16 5.158 -8.512 -4.844 1.00 11.04 N ATOM 257 CA GLU A 16 6.522 -8.409 -5.351 1.00 11.50 C ATOM 258 C GLU A 16 6.648 -7.126 -6.215 1.00 10.13 C ATOM 259 O GLU A 16 5.868 -6.932 -7.181 1.00 9.83 O ATOM 260 CB GLU A 16 6.919 -9.621 -6.244 1.00 17.22 C ATOM 261 CG GLU A 16 8.288 -9.568 -6.987 1.00 23.33 C ATOM 262 CD GLU A 16 9.472 -9.500 -6.022 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.552 -10.229 -5.006 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.377 -8.660 -6.344 1.00 28.90 O ATOM 0 H GLU A 16 4.485 -8.838 -5.538 1.00 11.04 H new ATOM 0 HA GLU A 16 7.184 -8.384 -4.486 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.914 -10.513 -5.617 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.138 -9.753 -6.993 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.389 -10.449 -7.620 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.308 -8.699 -7.645 1.00 23.33 H new ATOM 271 N VAL A 17 7.478 -6.173 -5.771 1.00 8.99 N ATOM 272 CA VAL A 17 7.509 -4.778 -6.167 1.00 8.85 C ATOM 273 C VAL A 17 9.002 -4.302 -6.269 1.00 8.04 C ATOM 274 O VAL A 17 9.951 -5.050 -5.970 1.00 8.99 O ATOM 275 CB VAL A 17 6.801 -3.845 -5.195 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.300 -4.213 -5.247 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.247 -4.085 -3.743 1.00 10.54 C ATOM 0 H VAL A 17 8.194 -6.383 -5.075 1.00 8.99 H new ATOM 0 HA VAL A 17 6.986 -4.727 -7.122 1.00 8.85 H new ATOM 0 HB VAL A 17 7.022 -2.814 -5.473 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.744 -3.570 -4.565 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.926 -4.074 -6.262 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.170 -5.254 -4.952 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.718 -3.399 -3.082 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.019 -5.112 -3.457 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.320 -3.915 -3.659 1.00 10.54 H new ATOM 287 N GLU A 18 9.251 -3.079 -6.699 1.00 7.29 N ATOM 288 CA GLU A 18 10.617 -2.477 -6.805 1.00 7.08 C ATOM 289 C GLU A 18 10.688 -1.176 -6.006 1.00 6.45 C ATOM 290 O GLU A 18 9.590 -0.568 -5.837 1.00 5.28 O ATOM 291 CB GLU A 18 11.094 -2.187 -8.207 1.00 10.28 C ATOM 292 CG GLU A 18 11.399 -3.385 -9.063 1.00 12.65 C ATOM 293 CD GLU A 18 12.549 -4.283 -8.537 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.704 -3.842 -8.687 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.318 -5.382 -7.996 1.00 14.33 O ATOM 0 H GLU A 18 8.511 -2.443 -6.997 1.00 7.29 H new ATOM 0 HA GLU A 18 11.277 -3.246 -6.403 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.334 -1.590 -8.711 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.992 -1.573 -8.144 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.496 -3.990 -9.152 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.654 -3.042 -10.066 1.00 12.65 H new ATOM 302 N PRO A 19 11.755 -0.697 -5.488 1.00 7.24 N ATOM 303 CA PRO A 19 11.780 0.602 -4.773 1.00 7.07 C ATOM 304 C PRO A 19 11.241 1.835 -5.474 1.00 6.65 C ATOM 305 O PRO A 19 10.832 2.777 -4.799 1.00 6.37 O ATOM 306 CB PRO A 19 13.269 0.814 -4.540 1.00 7.61 C ATOM 307 CG PRO A 19 13.745 -0.650 -4.246 1.00 8.16 C ATOM 308 CD PRO A 19 13.018 -1.349 -5.415 1.00 7.49 C ATOM 0 HA PRO A 19 11.119 0.519 -3.910 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.765 1.240 -5.412 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.463 1.485 -3.703 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.828 -0.762 -4.290 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.427 -1.013 -3.269 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.573 -1.245 -6.347 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.904 -2.417 -5.230 1.00 7.49 H new ATOM 316 N SER A 20 11.264 1.855 -6.750 1.00 6.80 N ATOM 317 CA SER A 20 10.873 2.864 -7.678 1.00 6.28 C ATOM 318 C SER A 20 9.353 2.968 -7.869 1.00 8.45 C ATOM 319 O SER A 20 8.818 3.889 -8.489 1.00 7.26 O ATOM 320 CB SER A 20 11.422 2.453 -9.084 1.00 8.57 C ATOM 321 OG SER A 20 11.335 1.044 -9.426 1.00 11.13 O ATOM 0 H SER A 20 11.611 1.038 -7.252 1.00 6.80 H new ATOM 0 HA SER A 20 11.254 3.808 -7.289 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.882 3.022 -9.841 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.468 2.755 -9.144 1.00 8.57 H new ATOM 0 HG SER A 20 11.703 0.902 -10.323 1.00 11.13 H new ATOM 327 N ASP A 21 8.673 1.878 -7.434 1.00 7.50 N ATOM 328 CA ASP A 21 7.235 1.889 -7.525 1.00 7.70 C ATOM 329 C ASP A 21 6.663 2.967 -6.669 1.00 7.08 C ATOM 330 O ASP A 21 7.041 3.226 -5.520 1.00 8.11 O ATOM 331 CB ASP A 21 6.536 0.557 -7.120 1.00 11.00 C ATOM 332 CG ASP A 21 6.866 -0.550 -8.127 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.011 -0.051 -9.287 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.010 -1.716 -7.804 1.00 18.03 O ATOM 0 H ASP A 21 9.090 1.034 -7.041 1.00 7.50 H new ATOM 0 HA ASP A 21 7.040 2.054 -8.585 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.860 0.258 -6.123 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.457 0.705 -7.074 1.00 11.00 H new ATOM 339 N THR A 22 5.709 3.705 -7.192 1.00 5.37 N ATOM 340 CA THR A 22 4.905 4.659 -6.459 1.00 6.01 C ATOM 341 C THR A 22 3.860 3.957 -5.644 1.00 8.01 C ATOM 342 O THR A 22 3.526 2.848 -5.983 1.00 8.11 O ATOM 343 CB THR A 22 4.201 5.854 -7.206 1.00 8.92 C ATOM 344 OG1 THR A 22 3.511 5.495 -8.362 1.00 10.22 O ATOM 345 CG2 THR A 22 5.173 6.876 -7.700 1.00 9.65 C ATOM 0 H THR A 22 5.462 3.655 -8.180 1.00 5.37 H new ATOM 0 HA THR A 22 5.686 5.149 -5.878 1.00 6.01 H new ATOM 0 HB THR A 22 3.525 6.227 -6.436 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.104 6.292 -8.761 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.634 7.676 -8.207 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.727 7.289 -6.857 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.869 6.409 -8.397 1.00 9.65 H new ATOM 353 N ILE A 23 3.416 4.579 -4.509 1.00 8.32 N ATOM 354 CA ILE A 23 2.381 3.902 -3.657 1.00 9.92 C ATOM 355 C ILE A 23 1.074 3.683 -4.399 1.00 10.01 C ATOM 356 O ILE A 23 0.269 2.835 -4.148 1.00 8.71 O ATOM 357 CB ILE A 23 2.087 4.703 -2.384 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.330 5.149 -1.641 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.160 3.976 -1.422 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.270 4.033 -1.061 1.00 12.30 C ATOM 0 H ILE A 23 3.732 5.490 -4.176 1.00 8.32 H new ATOM 0 HA ILE A 23 2.805 2.933 -3.394 1.00 9.92 H new ATOM 0 HB ILE A 23 1.579 5.594 -2.753 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.921 5.768 -2.316 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.017 5.787 -0.815 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.991 4.596 -0.541 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.208 3.778 -1.914 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.616 3.033 -1.120 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.117 4.497 -0.556 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.714 3.423 -0.349 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.632 3.404 -1.874 1.00 12.30 H new ATOM 372 N GLU A 24 0.884 4.508 -5.465 1.00 9.54 N ATOM 373 CA GLU A 24 -0.169 4.386 -6.447 1.00 11.81 C ATOM 374 C GLU A 24 -0.039 3.063 -7.223 1.00 11.14 C ATOM 375 O GLU A 24 -1.021 2.391 -7.538 1.00 10.62 O ATOM 376 CB GLU A 24 -0.174 5.584 -7.405 1.00 19.24 C ATOM 377 CG GLU A 24 -1.301 5.502 -8.447 1.00 27.76 C ATOM 378 CD GLU A 24 -1.361 6.613 -9.455 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.446 7.482 -9.485 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.280 6.678 -10.274 1.00 36.51 O ATOM 0 H GLU A 24 1.499 5.301 -5.649 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.122 4.379 -5.918 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.282 6.504 -6.830 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.786 5.639 -7.917 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.202 4.559 -8.984 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.253 5.469 -7.918 1.00 27.76 H new ATOM 387 N ASN A 25 1.191 2.532 -7.583 1.00 9.43 N ATOM 388 CA ASN A 25 1.278 1.241 -8.327 1.00 10.96 C ATOM 389 C ASN A 25 1.369 -0.048 -7.469 1.00 9.68 C ATOM 390 O ASN A 25 1.166 -1.126 -7.998 1.00 9.33 O ATOM 391 CB ASN A 25 2.552 1.291 -9.224 1.00 16.78 C ATOM 392 CG ASN A 25 2.233 2.142 -10.422 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.410 3.090 -10.357 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.840 1.818 -11.605 1.00 24.70 N ATOM 0 H ASN A 25 2.090 2.967 -7.374 1.00 9.43 H new ATOM 0 HA ASN A 25 0.338 1.165 -8.874 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.393 1.709 -8.671 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.841 0.287 -9.534 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.627 2.348 -12.450 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.506 1.046 -11.642 1.00 24.70 H new ATOM 401 N VAL A 26 1.616 0.115 -6.190 1.00 6.52 N ATOM 402 CA VAL A 26 1.273 -0.789 -5.136 1.00 5.53 C ATOM 403 C VAL A 26 -0.250 -1.003 -4.977 1.00 4.42 C ATOM 404 O VAL A 26 -0.774 -2.084 -5.062 1.00 3.40 O ATOM 405 CB VAL A 26 1.977 -0.409 -3.817 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.883 -1.612 -2.817 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.460 -0.120 -4.164 1.00 8.12 C ATOM 0 H VAL A 26 2.097 0.945 -5.842 1.00 6.52 H new ATOM 0 HA VAL A 26 1.655 -1.767 -5.428 1.00 5.53 H new ATOM 0 HB VAL A 26 1.514 0.462 -3.353 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.379 -1.348 -1.883 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.836 -1.840 -2.620 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.369 -2.485 -3.252 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.999 0.154 -3.257 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.912 -1.011 -4.600 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.513 0.700 -4.880 1.00 8.12 H new ATOM 417 N LYS A 27 -1.037 0.090 -4.872 1.00 2.64 N ATOM 418 CA LYS A 27 -2.442 -0.099 -4.728 1.00 4.14 C ATOM 419 C LYS A 27 -3.138 -0.562 -5.985 1.00 5.58 C ATOM 420 O LYS A 27 -4.164 -1.232 -5.891 1.00 4.11 O ATOM 421 CB LYS A 27 -3.015 1.255 -4.312 1.00 3.97 C ATOM 422 CG LYS A 27 -2.556 1.761 -2.952 1.00 7.45 C ATOM 423 CD LYS A 27 -3.317 3.036 -2.584 1.00 9.02 C ATOM 424 CE LYS A 27 -3.030 4.229 -3.458 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.948 5.289 -3.141 1.00 15.47 N ATOM 0 H LYS A 27 -0.715 1.058 -4.886 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.608 -0.888 -3.995 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.745 1.993 -5.067 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.103 1.186 -4.308 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.724 0.996 -2.194 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.484 1.960 -2.972 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.386 2.826 -2.623 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.080 3.296 -1.552 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.004 4.565 -3.307 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.124 3.954 -4.509 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.829 6.066 -3.822 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.923 4.931 -3.192 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.757 5.638 -2.180 1.00 15.47 H new ATOM 439 N ALA A 28 -2.502 -0.392 -7.172 1.00 6.61 N ATOM 440 CA ALA A 28 -2.854 -1.138 -8.410 1.00 7.74 C ATOM 441 C ALA A 28 -2.669 -2.643 -8.377 1.00 9.17 C ATOM 442 O ALA A 28 -3.510 -3.441 -8.789 1.00 11.45 O ATOM 443 CB ALA A 28 -1.995 -0.584 -9.595 1.00 7.68 C ATOM 0 H ALA A 28 -1.732 0.265 -7.299 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.926 -0.976 -8.524 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.244 -1.124 -10.509 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.205 0.477 -9.731 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.937 -0.719 -9.371 1.00 7.68 H new ATOM 449 N LYS A 29 -1.517 -3.083 -7.864 1.00 8.96 N ATOM 450 CA LYS A 29 -1.142 -4.429 -7.620 1.00 7.90 C ATOM 451 C LYS A 29 -2.084 -5.074 -6.633 1.00 6.92 C ATOM 452 O LYS A 29 -2.499 -6.193 -6.817 1.00 6.87 O ATOM 453 CB LYS A 29 0.370 -4.412 -7.287 1.00 10.28 C ATOM 454 CG LYS A 29 0.984 -5.794 -7.367 1.00 14.94 C ATOM 455 CD LYS A 29 2.549 -5.708 -7.405 1.00 19.69 C ATOM 456 CE LYS A 29 3.050 -5.698 -8.861 1.00 22.63 C ATOM 457 NZ LYS A 29 4.483 -5.282 -8.888 1.00 24.98 N ATOM 0 H LYS A 29 -0.779 -2.432 -7.595 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.251 -5.087 -8.482 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.886 -3.745 -7.978 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.516 -4.008 -6.285 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.669 -6.387 -6.508 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.622 -6.306 -8.258 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.883 -4.806 -6.893 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.979 -6.555 -6.871 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.939 -6.688 -9.303 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.449 -5.013 -9.459 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.908 -5.560 -9.796 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.547 -4.250 -8.777 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.994 -5.746 -8.110 1.00 24.98 H new ATOM 471 N ILE A 30 -2.484 -4.371 -5.579 1.00 4.57 N ATOM 472 CA ILE A 30 -3.570 -4.806 -4.691 1.00 5.58 C ATOM 473 C ILE A 30 -4.935 -4.993 -5.342 1.00 7.26 C ATOM 474 O ILE A 30 -5.621 -6.004 -5.187 1.00 9.46 O ATOM 475 CB ILE A 30 -3.651 -3.925 -3.387 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.300 -3.981 -2.580 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.840 -4.355 -2.513 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.113 -2.777 -1.557 1.00 2.00 C ATOM 0 H ILE A 30 -2.067 -3.480 -5.311 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.283 -5.819 -4.409 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.812 -2.890 -3.687 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.254 -4.922 -2.032 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.467 -3.981 -3.283 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.877 -3.734 -1.618 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.766 -4.237 -3.075 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.721 -5.399 -2.225 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.160 -2.884 -1.039 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.126 -1.832 -2.101 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.925 -2.788 -0.830 1.00 2.00 H new ATOM 490 N GLN A 31 -5.341 -4.026 -6.234 1.00 7.06 N ATOM 491 CA GLN A 31 -6.644 -4.075 -7.013 1.00 8.67 C ATOM 492 C GLN A 31 -6.758 -5.315 -7.887 1.00 10.90 C ATOM 493 O GLN A 31 -7.757 -5.988 -7.990 1.00 9.63 O ATOM 494 CB GLN A 31 -6.983 -2.816 -7.872 1.00 9.12 C ATOM 495 CG GLN A 31 -8.464 -2.792 -8.488 1.00 10.76 C ATOM 496 CD GLN A 31 -8.648 -1.566 -9.433 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.689 -1.071 -10.029 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.893 -1.092 -9.547 1.00 14.76 N ATOM 0 H GLN A 31 -4.784 -3.196 -6.436 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.384 -4.106 -6.213 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.848 -1.927 -7.255 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.265 -2.749 -8.689 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.649 -3.714 -9.040 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.197 -2.750 -7.683 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.656 -1.534 -9.034 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.080 -0.288 -10.147 1.00 14.76 H new ATOM 507 N ASP A 32 -5.600 -5.675 -8.417 1.00 10.93 N ATOM 508 CA ASP A 32 -5.431 -6.886 -9.253 1.00 14.01 C ATOM 509 C ASP A 32 -5.545 -8.181 -8.388 1.00 14.04 C ATOM 510 O ASP A 32 -5.645 -9.316 -9.006 1.00 13.39 O ATOM 511 CB ASP A 32 -3.989 -6.809 -9.962 1.00 18.01 C ATOM 512 CG ASP A 32 -3.798 -7.989 -10.907 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.443 -8.045 -11.991 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.045 -8.916 -10.506 1.00 26.29 O ATOM 0 H ASP A 32 -4.739 -5.144 -8.288 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.219 -6.926 -10.005 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.898 -5.874 -10.515 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.204 -6.810 -9.206 1.00 18.01 H new ATOM 519 N LYS A 33 -5.550 -8.057 -7.043 1.00 14.22 N ATOM 520 CA LYS A 33 -5.714 -9.237 -6.212 1.00 14.00 C ATOM 521 C LYS A 33 -6.970 -9.222 -5.348 1.00 12.37 C ATOM 522 O LYS A 33 -7.617 -10.251 -5.266 1.00 12.17 O ATOM 523 CB LYS A 33 -4.492 -9.367 -5.190 1.00 18.62 C ATOM 524 CG LYS A 33 -4.345 -10.727 -4.462 1.00 24.00 C ATOM 525 CD LYS A 33 -3.027 -10.766 -3.644 1.00 27.61 C ATOM 526 CE LYS A 33 -1.737 -10.451 -4.490 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.562 -11.541 -5.464 1.00 30.06 N ATOM 0 H LYS A 33 -5.445 -7.178 -6.537 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.774 -10.064 -6.920 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.569 -9.169 -5.734 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.592 -8.585 -4.437 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.196 -10.885 -3.799 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.352 -11.538 -5.190 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.097 -10.048 -2.827 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.921 -11.753 -3.193 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.840 -9.494 -5.002 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.864 -10.374 -3.842 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.696 -11.377 -6.016 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.485 -12.448 -4.960 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.381 -11.569 -6.104 1.00 30.06 H new ATOM 541 N GLU A 34 -7.321 -8.033 -4.758 1.00 10.11 N ATOM 542 CA GLU A 34 -8.261 -7.880 -3.722 1.00 10.07 C ATOM 543 C GLU A 34 -9.610 -7.206 -4.142 1.00 9.32 C ATOM 544 O GLU A 34 -10.688 -7.295 -3.490 1.00 11.61 O ATOM 545 CB GLU A 34 -7.766 -7.139 -2.410 1.00 14.77 C ATOM 546 CG GLU A 34 -6.997 -8.053 -1.472 1.00 18.75 C ATOM 547 CD GLU A 34 -7.928 -9.073 -0.888 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.954 -8.757 -0.234 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.564 -10.273 -1.001 1.00 25.19 O ATOM 0 H GLU A 34 -6.906 -7.146 -5.044 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.419 -8.932 -3.486 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.132 -6.298 -2.691 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.627 -6.728 -1.884 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.190 -8.549 -2.012 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.536 -7.469 -0.676 1.00 18.75 H new ATOM 556 N GLY A 35 -9.529 -6.532 -5.352 1.00 7.22 N ATOM 557 CA GLY A 35 -10.743 -5.911 -5.948 1.00 6.29 C ATOM 558 C GLY A 35 -11.127 -4.580 -5.394 1.00 6.93 C ATOM 559 O GLY A 35 -12.128 -3.954 -5.741 1.00 7.41 O ATOM 0 H GLY A 35 -8.674 -6.418 -5.896 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.585 -5.805 -7.021 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.581 -6.595 -5.815 1.00 6.29 H new ATOM 563 N ILE A 36 -10.288 -4.024 -4.501 1.00 5.86 N ATOM 564 CA ILE A 36 -10.488 -2.772 -3.855 1.00 6.07 C ATOM 565 C ILE A 36 -9.955 -1.686 -4.786 1.00 6.36 C ATOM 566 O ILE A 36 -8.759 -1.724 -5.073 1.00 6.18 O ATOM 567 CB ILE A 36 -9.737 -2.758 -2.509 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.986 -3.971 -1.619 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.082 -1.499 -1.767 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.711 -4.212 -0.790 1.00 9.49 C ATOM 0 H ILE A 36 -9.421 -4.479 -4.217 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.544 -2.600 -3.649 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.676 -2.799 -2.756 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.840 -3.797 -0.965 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.221 -4.847 -2.223 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.554 -1.482 -0.814 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.786 -0.634 -2.361 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.157 -1.465 -1.587 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.857 -5.075 -0.141 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.872 -4.399 -1.460 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.501 -3.332 -0.182 1.00 9.49 H new ATOM 582 N PRO A 37 -10.709 -0.714 -5.190 1.00 8.65 N ATOM 583 CA PRO A 37 -10.247 0.409 -5.970 1.00 9.18 C ATOM 584 C PRO A 37 -9.090 1.292 -5.326 1.00 9.85 C ATOM 585 O PRO A 37 -9.300 1.631 -4.179 1.00 8.51 O ATOM 586 CB PRO A 37 -11.589 1.205 -6.175 1.00 11.42 C ATOM 587 CG PRO A 37 -12.722 0.230 -6.103 1.00 9.27 C ATOM 588 CD PRO A 37 -12.194 -0.693 -5.007 1.00 8.33 C ATOM 0 HA PRO A 37 -9.746 0.092 -6.885 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.698 1.972 -5.408 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.586 1.715 -7.138 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.665 0.704 -5.832 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.886 -0.291 -7.046 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.463 -0.323 -4.018 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.616 -1.694 -5.099 1.00 8.33 H new ATOM 596 N PRO A 38 -7.968 1.727 -6.016 1.00 8.71 N ATOM 597 CA PRO A 38 -6.899 2.553 -5.397 1.00 9.08 C ATOM 598 C PRO A 38 -7.295 3.939 -4.820 1.00 9.28 C ATOM 599 O PRO A 38 -6.522 4.391 -3.974 1.00 6.50 O ATOM 600 CB PRO A 38 -5.919 2.743 -6.522 1.00 10.31 C ATOM 601 CG PRO A 38 -6.058 1.474 -7.366 1.00 10.81 C ATOM 602 CD PRO A 38 -7.531 1.155 -7.315 1.00 12.00 C ATOM 0 HA PRO A 38 -6.537 2.034 -4.509 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.151 3.635 -7.104 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.902 2.862 -6.148 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.721 1.638 -8.390 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.460 0.658 -6.960 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.067 1.603 -8.151 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.710 0.081 -7.361 1.00 12.00 H new ATOM 610 N ASP A 39 -8.480 4.504 -5.139 1.00 11.20 N ATOM 611 CA ASP A 39 -9.020 5.783 -4.605 1.00 14.96 C ATOM 612 C ASP A 39 -10.080 5.521 -3.518 1.00 13.99 C ATOM 613 O ASP A 39 -10.771 6.428 -2.940 1.00 13.75 O ATOM 614 CB ASP A 39 -9.733 6.563 -5.706 1.00 24.16 C ATOM 615 CG ASP A 39 -8.729 6.928 -6.800 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.050 7.972 -6.617 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.679 6.282 -7.858 1.00 35.55 O ATOM 0 H ASP A 39 -9.117 4.066 -5.804 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.172 6.338 -4.204 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.543 5.965 -6.125 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.183 7.466 -5.294 1.00 24.16 H new ATOM 622 N GLN A 40 -10.157 4.247 -3.043 1.00 11.60 N ATOM 623 CA GLN A 40 -10.919 3.902 -1.901 1.00 10.76 C ATOM 624 C GLN A 40 -9.908 3.217 -0.931 1.00 8.01 C ATOM 625 O GLN A 40 -10.261 2.587 0.082 1.00 8.96 O ATOM 626 CB GLN A 40 -12.043 2.899 -2.336 1.00 11.14 C ATOM 627 CG GLN A 40 -13.059 3.563 -3.295 1.00 14.85 C ATOM 628 CD GLN A 40 -14.194 2.630 -3.551 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.142 1.464 -3.026 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.219 3.011 -4.319 1.00 18.16 N ATOM 0 H GLN A 40 -9.675 3.457 -3.473 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.400 4.758 -1.427 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.592 2.035 -2.824 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.564 2.530 -1.452 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.430 4.491 -2.861 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.571 3.823 -4.234 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.233 3.947 -4.724 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.988 2.366 -4.500 1.00 18.16 H new ATOM 639 N GLN A 41 -8.570 3.373 -1.242 1.00 6.52 N ATOM 640 CA GLN A 41 -7.520 2.638 -0.606 1.00 3.87 C ATOM 641 C GLN A 41 -6.348 3.528 -0.137 1.00 4.79 C ATOM 642 O GLN A 41 -5.836 4.386 -0.844 1.00 6.34 O ATOM 643 CB GLN A 41 -7.009 1.584 -1.680 1.00 4.20 C ATOM 644 CG GLN A 41 -6.244 0.450 -1.076 1.00 3.20 C ATOM 645 CD GLN A 41 -5.720 -0.527 -2.167 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.571 -0.945 -2.111 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.590 -0.985 -3.076 1.00 7.13 N ATOM 0 H GLN A 41 -8.237 4.027 -1.951 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.904 2.166 0.298 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -7.865 1.186 -2.225 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.377 2.094 -2.407 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -5.404 0.841 -0.502 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -6.883 -0.091 -0.378 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.542 -0.619 -3.101 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.301 -1.700 -3.744 1.00 7.13 H new ATOM 656 N ARG A 42 -5.882 3.295 1.069 1.00 5.73 N ATOM 657 CA ARG A 42 -4.783 3.940 1.740 1.00 6.97 C ATOM 658 C ARG A 42 -3.886 2.890 2.449 1.00 7.15 C ATOM 659 O ARG A 42 -4.256 1.708 2.599 1.00 7.33 O ATOM 660 CB ARG A 42 -5.223 5.010 2.707 1.00 13.23 C ATOM 661 CG ARG A 42 -6.077 6.178 2.038 1.00 21.27 C ATOM 662 CD ARG A 42 -6.407 7.210 3.105 1.00 26.14 C ATOM 663 NE ARG A 42 -6.708 8.502 2.389 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.400 9.560 2.888 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.970 9.577 4.079 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.578 10.626 2.110 1.00 36.39 N ATOM 0 H ARG A 42 -6.306 2.579 1.659 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.201 4.446 0.969 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.814 4.549 3.498 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.341 5.443 3.179 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.515 6.640 1.226 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.993 5.776 1.604 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.263 6.890 3.700 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.570 7.336 3.792 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.357 8.591 1.435 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.905 8.761 4.687 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.475 10.406 4.391 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.199 10.635 1.163 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.094 11.433 2.461 1.00 36.39 H new ATOM 680 N LEU A 43 -2.647 3.302 2.804 1.00 4.65 N ATOM 681 CA LEU A 43 -1.617 2.400 3.314 1.00 3.51 C ATOM 682 C LEU A 43 -0.856 3.207 4.483 1.00 5.56 C ATOM 683 O LEU A 43 -0.314 4.265 4.293 1.00 4.19 O ATOM 684 CB LEU A 43 -0.713 1.900 2.197 1.00 3.74 C ATOM 685 CG LEU A 43 -1.326 1.070 1.103 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.225 0.821 0.087 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.891 -0.269 1.649 1.00 6.41 C ATOM 0 H LEU A 43 -2.344 4.274 2.740 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.036 1.484 3.729 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.245 2.769 1.733 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.085 1.313 2.652 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.171 1.591 0.652 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.616 0.220 -0.734 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.135 1.774 -0.301 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.598 0.290 0.565 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.326 -0.842 0.830 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.086 -0.844 2.106 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.659 -0.063 2.395 1.00 6.41 H new ATOM 699 N ILE A 44 -0.900 2.683 5.758 1.00 4.58 N ATOM 700 CA ILE A 44 -0.200 3.242 6.936 1.00 5.55 C ATOM 701 C ILE A 44 0.977 2.307 7.309 1.00 5.46 C ATOM 702 O ILE A 44 0.794 1.086 7.536 1.00 6.04 O ATOM 703 CB ILE A 44 -1.161 3.500 8.098 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.316 4.394 7.649 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.386 4.197 9.210 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.143 4.906 8.785 1.00 13.90 C ATOM 0 H ILE A 44 -1.437 1.845 5.981 1.00 4.58 H new ATOM 0 HA ILE A 44 0.211 4.221 6.690 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.573 2.554 8.449 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.916 5.240 7.090 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.955 3.834 6.966 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.052 4.392 10.051 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.435 3.558 9.537 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.014 5.140 8.838 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.945 5.534 8.397 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.572 4.065 9.331 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.516 5.493 9.456 1.00 13.90 H new ATOM 718 N PHE A 45 2.215 2.904 7.379 1.00 6.75 N ATOM 719 CA PHE A 45 3.363 2.135 7.895 1.00 4.70 C ATOM 720 C PHE A 45 3.839 3.021 8.979 1.00 6.34 C ATOM 721 O PHE A 45 4.222 4.204 8.812 1.00 5.45 O ATOM 722 CB PHE A 45 4.377 1.959 6.749 1.00 5.51 C ATOM 723 CG PHE A 45 5.589 1.242 7.318 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.677 1.908 7.853 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.694 -0.153 7.258 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.864 1.207 8.246 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.814 -0.849 7.683 1.00 6.68 C ATOM 728 CZ PHE A 45 7.883 -0.181 8.253 1.00 6.84 C ATOM 0 H PHE A 45 2.420 3.863 7.097 1.00 6.75 H new ATOM 0 HA PHE A 45 3.161 1.127 8.256 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.938 1.383 5.934 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.662 2.927 6.338 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.631 2.980 7.977 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.861 -0.714 6.861 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.745 1.760 8.537 1.00 6.64 H new ATOM 0 HE2 PHE A 45 6.853 -1.922 7.568 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.708 -0.723 8.691 1.00 6.84 H new ATOM 738 N ALA A 46 3.833 2.444 10.186 1.00 6.53 N ATOM 739 CA ALA A 46 4.431 3.070 11.378 1.00 7.15 C ATOM 740 C ALA A 46 3.900 4.516 11.676 1.00 9.00 C ATOM 741 O ALA A 46 4.668 5.428 12.087 1.00 11.15 O ATOM 742 CB ALA A 46 6.009 3.106 11.245 1.00 8.99 C ATOM 0 H ALA A 46 3.415 1.531 10.367 1.00 6.53 H new ATOM 0 HA ALA A 46 4.129 2.448 12.220 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.438 3.571 12.132 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.389 2.089 11.148 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.287 3.683 10.363 1.00 8.99 H new ATOM 748 N GLY A 47 2.558 4.742 11.619 1.00 9.35 N ATOM 749 CA GLY A 47 1.918 6.072 11.811 1.00 11.68 C ATOM 750 C GLY A 47 1.920 6.928 10.542 1.00 11.14 C ATOM 751 O GLY A 47 1.237 7.923 10.524 1.00 13.93 O ATOM 0 H GLY A 47 1.885 3.998 11.437 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.890 5.929 12.144 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.439 6.608 12.605 1.00 11.68 H new ATOM 755 N LYS A 48 2.616 6.477 9.512 1.00 10.47 N ATOM 756 CA LYS A 48 2.814 7.282 8.277 1.00 8.82 C ATOM 757 C LYS A 48 1.875 6.842 7.149 1.00 7.68 C ATOM 758 O LYS A 48 1.981 5.760 6.582 1.00 6.47 O ATOM 759 CB LYS A 48 4.289 7.172 7.913 1.00 9.74 C ATOM 760 CG LYS A 48 5.134 7.829 8.892 1.00 14.14 C ATOM 761 CD LYS A 48 6.633 7.520 8.544 1.00 16.32 C ATOM 762 CE LYS A 48 7.085 6.209 9.244 1.00 20.04 C ATOM 763 NZ LYS A 48 8.477 5.907 8.946 1.00 23.92 N ATOM 0 H LYS A 48 3.061 5.560 9.488 1.00 10.47 H new ATOM 0 HA LYS A 48 2.556 8.328 8.445 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.568 6.121 7.839 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.456 7.616 6.932 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.957 8.905 8.884 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.897 7.475 9.895 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.751 7.424 7.465 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.266 8.348 8.862 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.954 6.305 10.322 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.453 5.383 8.918 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.752 5.026 9.426 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.595 5.793 7.919 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.080 6.686 9.279 1.00 23.92 H new ATOM 777 N GLN A 49 0.967 7.777 6.761 1.00 8.89 N ATOM 778 CA GLN A 49 0.097 7.522 5.627 1.00 7.18 C ATOM 779 C GLN A 49 0.821 7.737 4.278 1.00 8.23 C ATOM 780 O GLN A 49 1.272 8.816 4.019 1.00 9.70 O ATOM 781 CB GLN A 49 -1.133 8.463 5.820 1.00 11.67 C ATOM 782 CG GLN A 49 -2.336 8.084 5.009 1.00 15.82 C ATOM 783 CD GLN A 49 -3.583 8.873 5.390 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.478 8.343 6.034 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.635 10.142 5.064 1.00 20.67 N ATOM 0 H GLN A 49 0.835 8.682 7.214 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.220 6.480 5.590 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.408 8.469 6.875 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.841 9.481 5.561 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.120 8.244 3.953 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.533 7.020 5.137 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.877 10.562 4.526 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.434 10.709 5.348 1.00 20.67 H new ATOM 794 N LEU A 50 1.060 6.705 3.474 1.00 6.51 N ATOM 795 CA LEU A 50 2.017 6.824 2.378 1.00 7.41 C ATOM 796 C LEU A 50 1.206 7.468 1.177 1.00 8.27 C ATOM 797 O LEU A 50 0.210 6.937 0.723 1.00 8.34 O ATOM 798 CB LEU A 50 2.547 5.430 2.006 1.00 7.13 C ATOM 799 CG LEU A 50 3.085 4.645 3.169 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.608 3.225 2.783 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.265 5.360 3.906 1.00 9.11 C ATOM 0 H LEU A 50 0.613 5.792 3.557 1.00 6.51 H new ATOM 0 HA LEU A 50 2.881 7.436 2.639 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.743 4.861 1.539 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.335 5.540 1.261 1.00 7.13 H new ATOM 0 HG LEU A 50 2.216 4.562 3.822 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.980 2.720 3.674 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.795 2.643 2.349 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.415 3.320 2.056 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.606 4.739 4.735 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.088 5.518 3.208 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.925 6.322 4.289 1.00 9.11 H new ATOM 813 N GLU A 51 1.567 8.656 0.747 1.00 9.43 N ATOM 814 CA GLU A 51 0.984 9.280 -0.462 1.00 11.90 C ATOM 815 C GLU A 51 1.349 8.645 -1.785 1.00 11.49 C ATOM 816 O GLU A 51 2.393 8.105 -2.109 1.00 9.88 O ATOM 817 CB GLU A 51 1.348 10.832 -0.495 1.00 16.56 C ATOM 818 CG GLU A 51 0.837 11.575 0.802 1.00 26.06 C ATOM 819 CD GLU A 51 0.743 13.034 0.660 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.370 13.474 0.183 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.642 13.820 1.052 1.00 33.44 O ATOM 0 H GLU A 51 2.270 9.231 1.211 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.089 9.116 -0.364 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.428 10.952 -0.582 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.904 11.292 -1.378 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.144 11.183 1.069 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.509 11.344 1.629 1.00 26.06 H new ATOM 828 N ASP A 52 0.309 8.618 -2.639 1.00 12.71 N ATOM 829 CA ASP A 52 0.197 8.057 -4.046 1.00 16.56 C ATOM 830 C ASP A 52 1.349 8.363 -4.979 1.00 15.83 C ATOM 831 O ASP A 52 1.929 7.488 -5.559 1.00 17.21 O ATOM 832 CB ASP A 52 -1.127 8.532 -4.705 1.00 21.05 C ATOM 833 CG ASP A 52 -2.314 7.912 -4.050 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.521 7.967 -2.810 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.098 7.265 -4.781 1.00 28.37 O ATOM 0 H ASP A 52 -0.581 9.026 -2.353 1.00 12.71 H new ATOM 0 HA ASP A 52 0.219 6.976 -3.905 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.199 9.618 -4.639 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.120 8.277 -5.765 1.00 21.05 H new ATOM 840 N GLY A 53 1.724 9.690 -4.974 1.00 15.00 N ATOM 841 CA GLY A 53 2.760 10.203 -5.921 1.00 11.77 C ATOM 842 C GLY A 53 4.162 10.096 -5.505 1.00 11.10 C ATOM 843 O GLY A 53 5.027 10.509 -6.197 1.00 11.25 O ATOM 0 H GLY A 53 1.336 10.394 -4.346 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.647 9.671 -6.866 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.546 11.253 -6.119 1.00 11.77 H new ATOM 847 N ARG A 54 4.462 9.470 -4.347 1.00 8.53 N ATOM 848 CA ARG A 54 5.746 9.188 -3.754 1.00 9.05 C ATOM 849 C ARG A 54 6.126 7.740 -3.982 1.00 8.96 C ATOM 850 O ARG A 54 5.310 6.823 -4.022 1.00 11.60 O ATOM 851 CB ARG A 54 5.730 9.460 -2.248 1.00 7.97 C ATOM 852 CG ARG A 54 5.448 10.962 -2.011 1.00 9.62 C ATOM 853 CD ARG A 54 5.561 11.550 -0.608 1.00 12.20 C ATOM 854 NE ARG A 54 7.067 11.438 -0.201 1.00 18.23 N ATOM 855 CZ ARG A 54 7.520 11.513 1.076 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.761 11.939 2.052 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.769 11.252 1.369 1.00 23.38 N ATOM 0 H ARG A 54 3.710 9.118 -3.754 1.00 8.53 H new ATOM 0 HA ARG A 54 6.476 9.843 -4.229 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.966 8.852 -1.764 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.686 9.182 -1.805 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.127 11.524 -2.653 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.436 11.161 -2.365 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.232 12.589 -0.595 1.00 12.20 H new ATOM 0 HD3 ARG A 54 4.928 11.006 0.093 1.00 12.20 H new ATOM 0 HE ARG A 54 7.753 11.300 -0.943 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.801 12.226 1.863 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.129 11.984 3.002 1.00 25.50 H new ATOM 0 HH21 ARG A 54 9.421 10.987 0.631 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.090 11.314 2.335 1.00 23.38 H new ATOM 871 N THR A 55 7.437 7.531 -4.222 1.00 9.05 N ATOM 872 CA THR A 55 7.945 6.147 -4.306 1.00 9.03 C ATOM 873 C THR A 55 8.219 5.520 -2.972 1.00 8.15 C ATOM 874 O THR A 55 8.319 6.147 -1.951 1.00 5.91 O ATOM 875 CB THR A 55 9.112 5.947 -5.186 1.00 11.15 C ATOM 876 OG1 THR A 55 10.304 6.685 -4.802 1.00 11.95 O ATOM 877 CG2 THR A 55 8.696 6.423 -6.605 1.00 11.71 C ATOM 0 H THR A 55 8.134 8.264 -4.355 1.00 9.05 H new ATOM 0 HA THR A 55 7.104 5.635 -4.774 1.00 9.03 H new ATOM 0 HB THR A 55 9.377 4.891 -5.127 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.057 6.065 -4.710 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.532 6.293 -7.292 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.847 5.835 -6.952 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.417 7.476 -6.568 1.00 11.71 H new ATOM 885 N LEU A 56 8.269 4.174 -2.995 1.00 6.91 N ATOM 886 CA LEU A 56 8.705 3.312 -1.856 1.00 8.29 C ATOM 887 C LEU A 56 10.143 3.629 -1.421 1.00 8.05 C ATOM 888 O LEU A 56 10.509 3.505 -0.241 1.00 10.17 O ATOM 889 CB LEU A 56 8.685 1.806 -2.205 1.00 6.60 C ATOM 890 CG LEU A 56 7.286 1.142 -2.330 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.276 -0.211 -2.931 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.424 1.191 -1.068 1.00 8.64 C ATOM 0 H LEU A 56 8.004 3.635 -3.819 1.00 6.91 H new ATOM 0 HA LEU A 56 7.992 3.527 -1.060 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.214 1.667 -3.148 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.249 1.271 -1.441 1.00 6.60 H new ATOM 0 HG LEU A 56 6.808 1.801 -3.055 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.252 -0.583 -2.972 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.686 -0.164 -3.940 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.883 -0.883 -2.324 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.469 0.701 -1.260 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.938 0.677 -0.256 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.249 2.230 -0.787 1.00 8.64 H new ATOM 904 N SER A 57 10.988 4.104 -2.406 1.00 8.92 N ATOM 905 CA SER A 57 12.352 4.584 -2.078 1.00 9.00 C ATOM 906 C SER A 57 12.234 5.995 -1.343 1.00 9.44 C ATOM 907 O SER A 57 12.864 6.201 -0.321 1.00 10.91 O ATOM 908 CB SER A 57 13.335 4.763 -3.225 1.00 10.32 C ATOM 909 OG SER A 57 12.809 5.437 -4.389 1.00 13.59 O ATOM 0 H SER A 57 10.744 4.157 -3.395 1.00 8.92 H new ATOM 0 HA SER A 57 12.764 3.780 -1.468 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.196 5.323 -2.860 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.698 3.781 -3.527 1.00 10.32 H new ATOM 0 HG SER A 57 13.510 5.507 -5.071 1.00 13.59 H new ATOM 915 N ASP A 58 11.338 6.965 -1.774 1.00 9.11 N ATOM 916 CA ASP A 58 11.124 8.261 -1.158 1.00 7.91 C ATOM 917 C ASP A 58 10.605 8.164 0.300 1.00 9.12 C ATOM 918 O ASP A 58 11.052 8.920 1.188 1.00 8.61 O ATOM 919 CB ASP A 58 10.143 8.936 -2.135 1.00 8.41 C ATOM 920 CG ASP A 58 9.756 10.339 -1.715 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.407 10.953 -0.819 1.00 11.70 O ATOM 922 OD2 ASP A 58 8.777 10.877 -2.344 1.00 10.05 O ATOM 0 H ASP A 58 10.744 6.821 -2.591 1.00 9.11 H new ATOM 0 HA ASP A 58 12.040 8.837 -1.026 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.594 8.972 -3.127 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.243 8.326 -2.216 1.00 8.41 H new ATOM 927 N TYR A 59 9.662 7.251 0.585 1.00 7.97 N ATOM 928 CA TYR A 59 9.224 7.091 1.995 1.00 8.45 C ATOM 929 C TYR A 59 10.097 6.050 2.808 1.00 10.98 C ATOM 930 O TYR A 59 9.756 5.707 3.920 1.00 12.95 O ATOM 931 CB TYR A 59 7.796 6.473 2.003 1.00 7.94 C ATOM 932 CG TYR A 59 6.821 7.609 2.079 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.594 8.311 3.263 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.965 7.763 0.971 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.509 9.165 3.395 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.860 8.626 1.076 1.00 6.52 C ATOM 937 CZ TYR A 59 4.624 9.310 2.318 1.00 6.76 C ATOM 938 OH TYR A 59 3.556 10.198 2.543 1.00 7.63 O ATOM 0 H TYR A 59 9.206 6.641 -0.093 1.00 7.97 H new ATOM 0 HA TYR A 59 9.299 8.081 2.445 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.628 5.881 1.103 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.672 5.802 2.853 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.275 8.187 4.092 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.155 7.226 0.054 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.349 9.710 4.314 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.198 8.773 0.235 1.00 6.52 H new ATOM 0 HH TYR A 59 2.843 9.735 3.031 1.00 7.63 H new ATOM 948 N ASN A 60 11.197 5.596 2.210 1.00 12.38 N ATOM 949 CA ASN A 60 12.109 4.636 2.833 1.00 13.94 C ATOM 950 C ASN A 60 11.466 3.284 3.225 1.00 14.16 C ATOM 951 O ASN A 60 11.627 2.829 4.348 1.00 14.26 O ATOM 952 CB ASN A 60 12.985 5.284 3.941 1.00 19.23 C ATOM 953 CG ASN A 60 14.313 4.648 4.184 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.119 4.592 3.207 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.665 4.181 5.387 1.00 24.09 N ATOM 0 H ASN A 60 11.483 5.885 1.274 1.00 12.38 H new ATOM 0 HA ASN A 60 12.802 4.345 2.044 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.148 6.330 3.682 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.422 5.271 4.875 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.590 3.775 5.526 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.008 4.231 6.166 1.00 24.09 H new ATOM 962 N ILE A 61 10.751 2.580 2.333 1.00 11.08 N ATOM 963 CA ILE A 61 10.078 1.353 2.654 1.00 11.78 C ATOM 964 C ILE A 61 11.007 0.243 2.179 1.00 13.74 C ATOM 965 O ILE A 61 11.320 0.013 1.022 1.00 14.60 O ATOM 966 CB ILE A 61 8.676 1.268 2.058 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.635 2.327 2.590 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.155 -0.198 2.166 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.286 2.057 4.124 1.00 11.42 C ATOM 0 H ILE A 61 10.635 2.868 1.361 1.00 11.08 H new ATOM 0 HA ILE A 61 9.893 1.272 3.725 1.00 11.78 H new ATOM 0 HB ILE A 61 8.775 1.548 1.009 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.041 3.332 2.476 1.00 11.56 H new ATOM 0 HG13 ILE A 61 6.725 2.281 1.992 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.153 -0.260 1.741 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.824 -0.863 1.619 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.123 -0.497 3.214 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.566 2.799 4.470 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.858 1.060 4.230 1.00 11.42 H new ATOM 0 HD13 ILE A 61 8.195 2.127 4.722 1.00 11.42 H new ATOM 981 N GLN A 62 11.518 -0.458 3.194 1.00 13.97 N ATOM 982 CA GLN A 62 12.521 -1.491 3.062 1.00 15.52 C ATOM 983 C GLN A 62 11.860 -2.911 2.991 1.00 13.94 C ATOM 984 O GLN A 62 10.651 -3.094 3.295 1.00 12.15 O ATOM 985 CB GLN A 62 13.490 -1.350 4.252 1.00 19.53 C ATOM 986 CG GLN A 62 14.017 0.115 4.401 1.00 26.38 C ATOM 987 CD GLN A 62 15.273 0.194 5.254 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.269 -0.110 6.449 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.425 0.596 4.722 1.00 32.71 N ATOM 0 H GLN A 62 11.227 -0.309 4.160 1.00 13.97 H new ATOM 0 HA GLN A 62 13.075 -1.377 2.130 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.984 -1.650 5.170 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.333 -2.028 4.117 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.225 0.526 3.413 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.239 0.735 4.846 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.469 0.856 3.737 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.264 0.644 5.300 1.00 32.71 H new ATOM 998 N LYS A 63 12.636 -3.873 2.488 1.00 11.73 N ATOM 999 CA LYS A 63 12.144 -5.229 2.223 1.00 11.97 C ATOM 1000 C LYS A 63 11.399 -5.974 3.380 1.00 10.41 C ATOM 1001 O LYS A 63 11.883 -5.952 4.495 1.00 9.59 O ATOM 1002 CB LYS A 63 13.362 -6.091 1.758 1.00 13.73 C ATOM 1003 CG LYS A 63 14.609 -6.134 2.684 1.00 16.98 C ATOM 1004 CD LYS A 63 15.549 -7.297 2.287 1.00 20.19 C ATOM 1005 CE LYS A 63 16.787 -7.627 3.110 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.408 -8.119 4.462 1.00 25.97 N ATOM 0 H LYS A 63 13.619 -3.736 2.253 1.00 11.73 H new ATOM 0 HA LYS A 63 11.369 -5.104 1.467 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.014 -7.114 1.615 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.681 -5.724 0.783 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.147 -5.188 2.621 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.294 -6.253 3.721 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.940 -8.200 2.252 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.886 -7.100 1.269 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.380 -8.384 2.596 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.414 -6.740 3.203 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.267 -8.338 5.005 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.862 -7.386 4.958 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.829 -8.978 4.369 1.00 25.97 H new ATOM 1020 N GLU A 64 10.216 -6.614 3.003 1.00 10.04 N ATOM 1021 CA GLU A 64 9.480 -7.504 3.878 1.00 10.94 C ATOM 1022 C GLU A 64 8.589 -6.752 4.932 1.00 9.74 C ATOM 1023 O GLU A 64 8.069 -7.325 5.910 1.00 9.42 O ATOM 1024 CB GLU A 64 10.343 -8.716 4.399 1.00 18.31 C ATOM 1025 CG GLU A 64 11.160 -9.444 3.315 1.00 24.16 C ATOM 1026 CD GLU A 64 11.996 -10.653 3.801 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.690 -10.573 4.865 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.906 -11.695 3.094 1.00 31.72 O ATOM 0 H GLU A 64 9.789 -6.498 2.084 1.00 10.04 H new ATOM 0 HA GLU A 64 8.728 -8.003 3.267 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.027 -8.353 5.166 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.680 -9.436 4.878 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.475 -9.788 2.540 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.833 -8.724 2.849 1.00 24.16 H new ATOM 1035 N SER A 65 8.376 -5.428 4.717 1.00 6.85 N ATOM 1036 CA SER A 65 7.561 -4.570 5.502 1.00 6.90 C ATOM 1037 C SER A 65 6.117 -4.941 5.481 1.00 4.72 C ATOM 1038 O SER A 65 5.583 -5.169 4.359 1.00 3.91 O ATOM 1039 CB SER A 65 7.596 -3.052 5.040 1.00 7.28 C ATOM 1040 OG SER A 65 8.875 -2.438 5.193 1.00 10.56 O ATOM 0 H SER A 65 8.811 -4.938 3.936 1.00 6.85 H new ATOM 0 HA SER A 65 7.992 -4.690 6.496 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.296 -2.992 3.994 1.00 7.28 H new ATOM 0 HB3 SER A 65 6.861 -2.489 5.615 1.00 7.28 H new ATOM 0 HG SER A 65 9.502 -2.822 4.545 1.00 10.56 H new ATOM 1046 N THR A 66 5.402 -4.887 6.611 1.00 4.48 N ATOM 1047 CA THR A 66 3.960 -5.051 6.653 1.00 3.80 C ATOM 1048 C THR A 66 3.381 -3.644 6.682 1.00 4.60 C ATOM 1049 O THR A 66 3.544 -2.917 7.684 1.00 5.33 O ATOM 1050 CB THR A 66 3.405 -5.845 7.854 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.886 -7.220 7.642 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.867 -5.915 7.813 1.00 3.40 C ATOM 0 H THR A 66 5.821 -4.726 7.527 1.00 4.48 H new ATOM 0 HA THR A 66 3.674 -5.643 5.784 1.00 3.80 H new ATOM 0 HB THR A 66 3.714 -5.385 8.793 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.573 -7.793 8.373 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.505 -6.481 8.672 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.456 -4.906 7.844 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.550 -6.408 6.894 1.00 3.40 H new ATOM 1060 N LEU A 67 2.682 -3.243 5.556 1.00 4.17 N ATOM 1061 CA LEU A 67 1.991 -1.937 5.498 1.00 3.85 C ATOM 1062 C LEU A 67 0.534 -2.212 5.961 1.00 3.80 C ATOM 1063 O LEU A 67 0.043 -3.306 5.744 1.00 5.54 O ATOM 1064 CB LEU A 67 1.851 -1.400 4.006 1.00 7.18 C ATOM 1065 CG LEU A 67 3.184 -1.372 3.276 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.037 -0.851 1.838 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.333 -0.574 3.930 1.00 11.66 C ATOM 0 H LEU A 67 2.596 -3.804 4.709 1.00 4.17 H new ATOM 0 HA LEU A 67 2.548 -1.216 6.096 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.153 -2.033 3.458 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.427 -0.396 4.022 1.00 7.18 H new ATOM 0 HG LEU A 67 3.471 -2.423 3.316 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.012 -0.847 1.351 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.358 -1.499 1.284 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.637 0.163 1.857 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.223 -0.639 3.304 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.038 0.470 4.034 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.550 -0.989 4.914 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.206 -1.318 6.621 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.601 -1.590 6.997 1.00 4.17 C ATOM 1081 C HIS A 68 -2.585 -0.882 6.107 1.00 5.32 C ATOM 1082 O HIS A 68 -2.574 0.318 5.962 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.959 -0.975 8.373 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.128 -1.732 9.405 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.138 -1.365 9.785 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.331 -3.033 9.941 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.649 -2.433 10.528 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.187 -3.452 10.636 1.00 16.30 N ATOM 0 H HIS A 68 0.134 -0.400 6.907 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.667 -2.677 6.955 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.731 0.091 8.395 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -3.024 -1.077 8.580 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.234 -3.614 9.829 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.634 -2.427 10.972 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.035 -4.340 11.115 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.483 -1.689 5.505 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.616 -1.393 4.686 1.00 3.97 C ATOM 1098 C LEU A 69 -5.575 -0.517 5.474 1.00 5.07 C ATOM 1099 O LEU A 69 -6.028 -0.885 6.551 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.369 -2.639 4.193 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.595 -2.479 3.254 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.194 -1.973 1.879 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.453 -3.708 3.202 1.00 9.96 C ATOM 0 H LEU A 69 -3.391 -2.699 5.616 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.238 -0.885 3.799 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.647 -3.273 3.679 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.704 -3.186 5.074 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.226 -1.706 3.693 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.082 -1.875 1.254 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.710 -1.001 1.976 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.502 -2.679 1.419 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -8.294 -3.536 2.530 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.863 -4.549 2.837 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.827 -3.933 4.201 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.906 0.672 4.837 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.909 1.565 5.318 1.00 6.26 C ATOM 1117 C VAL A 70 -7.747 1.742 4.085 1.00 9.22 C ATOM 1118 O VAL A 70 -7.341 1.796 2.906 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.312 2.876 5.904 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.433 3.850 6.377 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.391 2.678 7.107 1.00 8.54 C ATOM 0 H VAL A 70 -5.454 0.989 3.980 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.485 1.200 6.169 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.731 3.280 5.075 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.981 4.756 6.781 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.071 4.108 5.532 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.032 3.368 7.149 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.023 3.646 7.447 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.944 2.197 7.913 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.548 2.050 6.820 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.053 1.817 4.385 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.080 1.850 3.369 1.00 16.06 C ATOM 1133 C LEU A 71 -10.864 3.127 3.573 1.00 18.09 C ATOM 1134 O LEU A 71 -11.255 3.563 4.658 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.030 0.656 3.480 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.340 -0.662 3.025 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.364 -1.814 2.869 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.528 -0.496 1.647 1.00 19.57 C ATOM 0 H LEU A 71 -9.411 1.856 5.339 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.616 1.806 2.384 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.370 0.554 4.511 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.915 0.835 2.869 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.629 -0.907 3.814 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.847 -2.719 2.550 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.857 -1.995 3.824 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.109 -1.540 2.123 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.068 -1.447 1.379 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.212 -0.188 0.856 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.753 0.260 1.770 1.00 19.57 H new