USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.0512 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.504 F(o=-1.2!,f=-0.5) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.837 K(o=0.84,f=-0.013) USER MOD Single : A 28 SER OG : rot 70:sc= 0.536 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.3) USER MOD Single : A 41 THR OG1 : rot -71:sc= -0.0189 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 46 SER OG : rot 36:sc= 0.851 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -3.72 K(o=-3.7,f=-5.1!) USER MOD Single : A 64 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.0097) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 76 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.8) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00669 USER MOD Single : A 86 MET CE :methyl -116:sc= -3.56 (180deg=-8.66!) USER MOD Single : A 87 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 89 MET CE :methyl 140:sc= -0.932 (180deg=-2.31) USER MOD Single : A 90 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.87) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -143:sc= 0.0458 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 WSK O0 : rot -150:sc= -1.57 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.021 32.000 -5.083 1.00 0.00 N ATOM 2 CA SER A 1 -19.639 30.564 -5.109 1.00 0.00 C ATOM 3 C SER A 1 -18.152 30.396 -5.402 1.00 0.00 C ATOM 4 O SER A 1 -17.723 30.472 -6.554 1.00 0.00 O ATOM 5 CB SER A 1 -20.470 29.859 -6.182 1.00 0.00 C ATOM 6 OG SER A 1 -21.853 30.113 -6.004 1.00 0.00 O ATOM 0 H1 SER A 1 -20.981 32.111 -5.468 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.999 32.347 -4.103 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.351 32.548 -5.660 1.00 0.00 H new ATOM 0 HA SER A 1 -19.834 30.123 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 1 -20.159 30.199 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.286 28.785 -6.142 1.00 0.00 H new ATOM 0 HG SER A 1 -22.363 29.653 -6.703 1.00 0.00 H new ATOM 14 N GLY A 2 -17.369 30.168 -4.352 1.00 0.00 N ATOM 15 CA GLY A 2 -15.937 29.996 -4.517 1.00 0.00 C ATOM 16 C GLY A 2 -15.564 28.586 -4.932 1.00 0.00 C ATOM 17 O GLY A 2 -16.118 27.614 -4.419 1.00 0.00 O ATOM 0 H GLY A 2 -17.701 30.099 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.574 30.700 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.435 30.240 -3.581 1.00 0.00 H new ATOM 21 N PHE A 3 -14.619 28.475 -5.860 1.00 0.00 N ATOM 22 CA PHE A 3 -14.171 27.175 -6.343 1.00 0.00 C ATOM 23 C PHE A 3 -12.899 26.737 -5.622 1.00 0.00 C ATOM 24 O PHE A 3 -11.989 27.538 -5.406 1.00 0.00 O ATOM 25 CB PHE A 3 -13.922 27.226 -7.852 1.00 0.00 C ATOM 26 CG PHE A 3 -13.096 28.403 -8.284 1.00 0.00 C ATOM 27 CD1 PHE A 3 -11.713 28.319 -8.324 1.00 0.00 C ATOM 28 CD2 PHE A 3 -13.702 29.595 -8.648 1.00 0.00 C ATOM 29 CE1 PHE A 3 -10.951 29.401 -8.721 1.00 0.00 C ATOM 30 CE2 PHE A 3 -12.946 30.680 -9.045 1.00 0.00 C ATOM 31 CZ PHE A 3 -11.568 30.583 -9.082 1.00 0.00 C ATOM 0 H PHE A 3 -14.149 29.270 -6.292 1.00 0.00 H new ATOM 0 HA PHE A 3 -14.956 26.448 -6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.421 26.308 -8.161 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.881 27.256 -8.370 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.226 27.397 -8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.779 29.676 -8.621 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.874 29.323 -8.749 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.431 31.603 -9.326 1.00 0.00 H new ATOM 0 HZ PHE A 3 -10.974 31.430 -9.393 1.00 0.00 H new ATOM 41 N LYS A 4 -12.842 25.461 -5.255 1.00 0.00 N ATOM 42 CA LYS A 4 -11.682 24.917 -4.558 1.00 0.00 C ATOM 43 C LYS A 4 -11.514 23.431 -4.855 1.00 0.00 C ATOM 44 O LYS A 4 -12.181 22.588 -4.254 1.00 0.00 O ATOM 45 CB LYS A 4 -11.821 25.134 -3.050 1.00 0.00 C ATOM 46 CG LYS A 4 -10.499 25.400 -2.349 1.00 0.00 C ATOM 47 CD LYS A 4 -10.698 25.679 -0.868 1.00 0.00 C ATOM 48 CE LYS A 4 -9.444 26.259 -0.235 1.00 0.00 C ATOM 49 NZ LYS A 4 -9.603 27.704 0.089 1.00 0.00 N ATOM 0 H LYS A 4 -13.585 24.784 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.796 25.442 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.492 25.974 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.287 24.254 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.841 24.540 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.003 26.250 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.528 26.374 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.971 24.756 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.208 25.707 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.601 26.130 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.726 28.062 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.803 28.235 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.391 27.825 0.757 1.00 0.00 H new ATOM 63 N HIS A 5 -10.617 23.115 -5.783 1.00 0.00 N ATOM 64 CA HIS A 5 -10.360 21.730 -6.157 1.00 0.00 C ATOM 65 C HIS A 5 -9.279 21.119 -5.270 1.00 0.00 C ATOM 66 O HIS A 5 -8.106 21.480 -5.366 1.00 0.00 O ATOM 67 CB HIS A 5 -9.934 21.645 -7.624 1.00 0.00 C ATOM 68 CG HIS A 5 -10.711 22.553 -8.528 1.00 0.00 C ATOM 69 ND1 HIS A 5 -11.865 23.231 -8.326 1.00 0.00 N flip ATOM 70 CD2 HIS A 5 -10.314 22.851 -9.814 1.00 0.00 C flip ATOM 71 CE1 HIS A 5 -12.141 23.917 -9.482 1.00 0.00 C flip ATOM 72 NE2 HIS A 5 -11.190 23.672 -10.365 1.00 0.00 N flip ATOM 0 H HIS A 5 -10.056 23.800 -6.290 1.00 0.00 H new ATOM 0 HA HIS A 5 -11.283 21.167 -6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -8.875 21.889 -7.701 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -10.050 20.617 -7.968 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.425 22.472 -10.296 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.998 24.554 -9.644 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.140 24.052 -11.310 1.00 0.00 H new ATOM 81 N VAL A 6 -9.681 20.191 -4.408 1.00 0.00 N ATOM 82 CA VAL A 6 -8.745 19.534 -3.502 1.00 0.00 C ATOM 83 C VAL A 6 -9.125 18.073 -3.280 1.00 0.00 C ATOM 84 O VAL A 6 -10.026 17.768 -2.500 1.00 0.00 O ATOM 85 CB VAL A 6 -8.686 20.250 -2.141 1.00 0.00 C ATOM 86 CG1 VAL A 6 -7.841 21.512 -2.236 1.00 0.00 C ATOM 87 CG2 VAL A 6 -10.088 20.573 -1.647 1.00 0.00 C ATOM 0 H VAL A 6 -10.647 19.877 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.763 19.582 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.217 19.581 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.811 22.004 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.828 21.249 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.278 22.188 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.027 21.079 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.587 21.222 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.657 19.650 -1.536 1.00 0.00 H new ATOM 97 N SER A 7 -8.426 17.174 -3.966 1.00 0.00 N ATOM 98 CA SER A 7 -8.685 15.746 -3.836 1.00 0.00 C ATOM 99 C SER A 7 -8.629 15.314 -2.375 1.00 0.00 C ATOM 100 O SER A 7 -9.524 14.625 -1.885 1.00 0.00 O ATOM 101 CB SER A 7 -7.670 14.948 -4.657 1.00 0.00 C ATOM 102 OG SER A 7 -7.133 15.733 -5.708 1.00 0.00 O ATOM 0 H SER A 7 -7.677 17.410 -4.617 1.00 0.00 H new ATOM 0 HA SER A 7 -9.687 15.546 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.865 14.603 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.149 14.061 -5.070 1.00 0.00 H new ATOM 0 HG SER A 7 -6.486 15.201 -6.216 1.00 0.00 H new ATOM 108 N HIS A 8 -7.576 15.737 -1.679 1.00 0.00 N ATOM 109 CA HIS A 8 -7.398 15.404 -0.269 1.00 0.00 C ATOM 110 C HIS A 8 -6.963 13.953 -0.097 1.00 0.00 C ATOM 111 O HIS A 8 -7.666 13.028 -0.503 1.00 0.00 O ATOM 112 CB HIS A 8 -8.690 15.657 0.513 1.00 0.00 C ATOM 113 CG HIS A 8 -8.471 16.378 1.808 1.00 0.00 C ATOM 114 ND1 HIS A 8 -8.750 17.719 1.979 1.00 0.00 N ATOM 115 CD2 HIS A 8 -7.995 15.940 2.997 1.00 0.00 C ATOM 116 CE1 HIS A 8 -8.455 18.073 3.217 1.00 0.00 C ATOM 117 NE2 HIS A 8 -7.996 17.012 3.855 1.00 0.00 N ATOM 0 H HIS A 8 -6.831 16.313 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.613 16.048 0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.373 16.238 -0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.176 14.703 0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.674 14.935 3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.570 19.062 3.636 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.691 16.992 4.828 1.00 0.00 H new ATOM 126 N VAL A 9 -5.797 13.764 0.512 1.00 0.00 N ATOM 127 CA VAL A 9 -5.258 12.431 0.747 1.00 0.00 C ATOM 128 C VAL A 9 -5.084 12.172 2.239 1.00 0.00 C ATOM 129 O VAL A 9 -4.883 13.098 3.024 1.00 0.00 O ATOM 130 CB VAL A 9 -3.897 12.243 0.035 1.00 0.00 C ATOM 131 CG1 VAL A 9 -2.948 13.376 0.398 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.278 10.892 0.378 1.00 0.00 C ATOM 0 H VAL A 9 -5.205 14.522 0.853 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.972 11.717 0.338 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.072 12.266 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.995 13.230 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.382 14.327 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.786 13.384 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.323 10.788 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.119 10.827 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.949 10.093 0.062 1.00 0.00 H new ATOM 142 N GLY A 10 -5.156 10.903 2.619 1.00 0.00 N ATOM 143 CA GLY A 10 -4.986 10.534 4.007 1.00 0.00 C ATOM 144 C GLY A 10 -3.527 10.314 4.362 1.00 0.00 C ATOM 145 O GLY A 10 -3.071 10.724 5.429 1.00 0.00 O ATOM 0 H GLY A 10 -5.330 10.122 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.400 11.316 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.550 9.624 4.212 1.00 0.00 H new ATOM 149 N TRP A 11 -2.789 9.684 3.450 1.00 0.00 N ATOM 150 CA TRP A 11 -1.371 9.430 3.656 1.00 0.00 C ATOM 151 C TRP A 11 -0.582 10.736 3.598 1.00 0.00 C ATOM 152 O TRP A 11 -0.927 11.655 2.856 1.00 0.00 O ATOM 153 CB TRP A 11 -0.850 8.420 2.611 1.00 0.00 C ATOM 154 CG TRP A 11 0.635 8.466 2.383 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.585 7.697 2.993 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.338 9.337 1.488 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.833 8.033 2.529 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.709 9.037 1.605 1.00 0.00 C ATOM 159 CE3 TRP A 11 0.941 10.339 0.598 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.682 9.703 0.865 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.908 11.000 -0.135 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.265 10.680 0.002 1.00 0.00 C ATOM 0 H TRP A 11 -3.153 9.341 2.561 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.232 8.996 4.646 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.125 7.414 2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.356 8.604 1.663 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.384 6.936 3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.710 7.605 2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.103 10.592 0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.729 9.457 0.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.613 11.776 -0.825 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.997 11.215 -0.585 1.00 0.00 H new ATOM 173 N ASP A 12 0.481 10.797 4.385 1.00 0.00 N ATOM 174 CA ASP A 12 1.338 11.976 4.430 1.00 0.00 C ATOM 175 C ASP A 12 2.770 11.620 4.036 1.00 0.00 C ATOM 176 O ASP A 12 3.164 10.455 4.088 1.00 0.00 O ATOM 177 CB ASP A 12 1.319 12.594 5.829 1.00 0.00 C ATOM 178 CG ASP A 12 0.120 13.497 6.044 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.371 14.079 5.054 1.00 0.00 O ATOM 180 OD2 ASP A 12 -0.328 13.622 7.203 1.00 0.00 O ATOM 0 H ASP A 12 0.773 10.041 5.005 1.00 0.00 H new ATOM 0 HA ASP A 12 0.953 12.704 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.310 11.799 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.234 13.166 5.983 1.00 0.00 H new ATOM 185 N PRO A 13 3.574 12.626 3.646 1.00 0.00 N ATOM 186 CA PRO A 13 4.964 12.417 3.229 1.00 0.00 C ATOM 187 C PRO A 13 5.901 12.118 4.402 1.00 0.00 C ATOM 188 O PRO A 13 7.100 11.920 4.208 1.00 0.00 O ATOM 189 CB PRO A 13 5.355 13.749 2.569 1.00 0.00 C ATOM 190 CG PRO A 13 4.088 14.532 2.451 1.00 0.00 C ATOM 191 CD PRO A 13 3.190 14.037 3.544 1.00 0.00 C ATOM 0 HA PRO A 13 5.051 11.553 2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.090 14.283 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.805 13.583 1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.279 15.600 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.629 14.386 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.354 14.572 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.137 14.155 3.290 1.00 0.00 H new ATOM 199 N GLN A 14 5.355 12.089 5.617 1.00 0.00 N ATOM 200 CA GLN A 14 6.159 11.822 6.805 1.00 0.00 C ATOM 201 C GLN A 14 5.773 10.490 7.443 1.00 0.00 C ATOM 202 O GLN A 14 6.406 9.465 7.190 1.00 0.00 O ATOM 203 CB GLN A 14 5.997 12.955 7.821 1.00 0.00 C ATOM 204 CG GLN A 14 7.100 13.999 7.750 1.00 0.00 C ATOM 205 CD GLN A 14 6.683 15.328 8.348 1.00 0.00 C ATOM 206 OE1 GLN A 14 6.402 15.425 9.542 1.00 0.00 O ATOM 207 NE2 GLN A 14 6.641 16.364 7.517 1.00 0.00 N ATOM 0 H GLN A 14 4.364 12.246 5.802 1.00 0.00 H new ATOM 0 HA GLN A 14 7.203 11.764 6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.036 13.443 7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.974 12.531 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.980 13.629 8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.389 14.147 6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.882 16.239 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.368 17.284 7.862 1.00 0.00 H new ATOM 216 N ASN A 15 4.737 10.513 8.277 1.00 0.00 N ATOM 217 CA ASN A 15 4.273 9.307 8.954 1.00 0.00 C ATOM 218 C ASN A 15 4.097 8.159 7.965 1.00 0.00 C ATOM 219 O ASN A 15 4.799 7.150 8.039 1.00 0.00 O ATOM 220 CB ASN A 15 2.953 9.580 9.678 1.00 0.00 C ATOM 221 CG ASN A 15 3.147 9.812 11.164 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.653 9.050 11.994 1.00 0.00 O ATOM 223 ND2 ASN A 15 3.870 10.873 11.507 1.00 0.00 N ATOM 0 H ASN A 15 4.203 11.353 8.500 1.00 0.00 H new ATOM 0 HA ASN A 15 5.028 9.018 9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.473 10.453 9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.279 8.736 9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.034 11.082 12.492 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.261 11.479 10.785 1.00 0.00 H new ATOM 230 N GLY A 16 3.160 8.324 7.036 1.00 0.00 N ATOM 231 CA GLY A 16 2.921 7.298 6.039 1.00 0.00 C ATOM 232 C GLY A 16 1.573 6.625 6.204 1.00 0.00 C ATOM 233 O GLY A 16 0.553 7.140 5.744 1.00 0.00 O ATOM 0 H GLY A 16 2.564 9.148 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.982 7.742 5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.708 6.546 6.101 1.00 0.00 H new ATOM 237 N PHE A 17 1.569 5.464 6.851 1.00 0.00 N ATOM 238 CA PHE A 17 0.338 4.711 7.059 1.00 0.00 C ATOM 239 C PHE A 17 -0.291 5.041 8.408 1.00 0.00 C ATOM 240 O PHE A 17 0.387 5.045 9.436 1.00 0.00 O ATOM 241 CB PHE A 17 0.620 3.208 6.980 1.00 0.00 C ATOM 242 CG PHE A 17 0.497 2.636 5.595 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.746 2.332 5.064 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.627 2.384 4.834 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.860 1.799 3.795 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.518 1.851 3.563 1.00 0.00 C ATOM 247 CZ PHE A 17 0.273 1.556 3.044 1.00 0.00 C ATOM 0 H PHE A 17 2.403 5.025 7.240 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.363 4.994 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.626 3.017 7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.070 2.684 7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.636 2.514 5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.604 2.606 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.835 1.572 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.406 1.666 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.186 1.136 2.053 1.00 0.00 H new ATOM 257 N ASP A 18 -1.594 5.303 8.401 1.00 0.00 N ATOM 258 CA ASP A 18 -2.321 5.601 9.628 1.00 0.00 C ATOM 259 C ASP A 18 -2.902 4.321 10.218 1.00 0.00 C ATOM 260 O ASP A 18 -4.096 4.243 10.512 1.00 0.00 O ATOM 261 CB ASP A 18 -3.439 6.608 9.354 1.00 0.00 C ATOM 262 CG ASP A 18 -3.817 7.405 10.586 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.973 8.190 11.068 1.00 0.00 O ATOM 264 OD2 ASP A 18 -4.959 7.247 11.069 1.00 0.00 O ATOM 0 H ASP A 18 -2.168 5.315 7.558 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.627 6.038 10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.123 7.291 8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.317 6.079 8.984 1.00 0.00 H new ATOM 269 N VAL A 19 -2.049 3.313 10.370 1.00 0.00 N ATOM 270 CA VAL A 19 -2.466 2.015 10.891 1.00 0.00 C ATOM 271 C VAL A 19 -3.371 2.158 12.112 1.00 0.00 C ATOM 272 O VAL A 19 -4.207 1.295 12.381 1.00 0.00 O ATOM 273 CB VAL A 19 -1.248 1.142 11.257 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.523 1.700 12.474 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.675 -0.297 11.492 1.00 0.00 C ATOM 0 H VAL A 19 -1.057 3.371 10.138 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.030 1.527 10.096 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.552 1.159 10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.331 1.066 12.711 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.176 2.711 12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.204 1.723 13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.803 -0.898 11.749 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.395 -0.334 12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.134 -0.693 10.586 1.00 0.00 H new ATOM 285 N ASN A 20 -3.203 3.253 12.848 1.00 0.00 N ATOM 286 CA ASN A 20 -4.008 3.501 14.036 1.00 0.00 C ATOM 287 C ASN A 20 -5.492 3.549 13.689 1.00 0.00 C ATOM 288 O ASN A 20 -6.300 2.826 14.272 1.00 0.00 O ATOM 289 CB ASN A 20 -3.587 4.813 14.700 1.00 0.00 C ATOM 290 CG ASN A 20 -3.431 4.677 16.200 1.00 0.00 C ATOM 291 OD1 ASN A 20 -2.316 4.630 16.719 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.554 4.616 16.906 1.00 0.00 N ATOM 0 H ASN A 20 -2.518 3.980 12.642 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.842 2.679 14.732 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.644 5.149 14.268 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.329 5.581 14.483 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.514 4.526 17.921 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.457 4.659 16.433 1.00 0.00 H new ATOM 299 N ASN A 21 -5.845 4.407 12.738 1.00 0.00 N ATOM 300 CA ASN A 21 -7.232 4.550 12.314 1.00 0.00 C ATOM 301 C ASN A 21 -7.419 4.052 10.885 1.00 0.00 C ATOM 302 O ASN A 21 -8.105 4.683 10.081 1.00 0.00 O ATOM 303 CB ASN A 21 -7.673 6.011 12.418 1.00 0.00 C ATOM 304 CG ASN A 21 -9.149 6.147 12.741 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.522 6.663 13.794 1.00 0.00 O ATOM 306 ND2 ASN A 21 -9.998 5.679 11.832 1.00 0.00 N ATOM 0 H ASN A 21 -5.189 5.014 12.246 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.851 3.943 12.975 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.087 6.511 13.190 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.461 6.520 11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.003 5.740 11.994 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.644 5.259 10.972 1.00 0.00 H new ATOM 313 N LEU A 22 -6.802 2.916 10.575 1.00 0.00 N ATOM 314 CA LEU A 22 -6.901 2.331 9.246 1.00 0.00 C ATOM 315 C LEU A 22 -8.314 1.824 8.978 1.00 0.00 C ATOM 316 O LEU A 22 -8.869 1.060 9.768 1.00 0.00 O ATOM 317 CB LEU A 22 -5.901 1.182 9.101 1.00 0.00 C ATOM 318 CG LEU A 22 -5.000 1.260 7.867 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.979 0.133 7.881 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.833 1.212 6.595 1.00 0.00 C ATOM 0 H LEU A 22 -6.228 2.383 11.228 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.668 3.106 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.272 1.154 9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.452 0.242 9.071 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.464 2.209 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.347 0.204 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.361 0.213 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.496 -0.826 7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.176 1.269 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.396 0.279 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.525 2.054 6.581 1.00 0.00 H new ATOM 332 N ASP A 23 -8.892 2.257 7.863 1.00 0.00 N ATOM 333 CA ASP A 23 -10.241 1.847 7.496 1.00 0.00 C ATOM 334 C ASP A 23 -10.338 0.325 7.406 1.00 0.00 C ATOM 335 O ASP A 23 -9.451 -0.328 6.857 1.00 0.00 O ATOM 336 CB ASP A 23 -10.638 2.476 6.159 1.00 0.00 C ATOM 337 CG ASP A 23 -11.520 3.697 6.334 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.832 4.043 7.494 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.897 4.308 5.313 1.00 0.00 O ATOM 0 H ASP A 23 -8.448 2.891 7.199 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.926 2.192 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.738 2.756 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.162 1.736 5.554 1.00 0.00 H new ATOM 344 N PRO A 24 -11.418 -0.263 7.950 1.00 0.00 N ATOM 345 CA PRO A 24 -11.618 -1.716 7.926 1.00 0.00 C ATOM 346 C PRO A 24 -11.472 -2.294 6.522 1.00 0.00 C ATOM 347 O PRO A 24 -10.721 -3.245 6.306 1.00 0.00 O ATOM 348 CB PRO A 24 -13.052 -1.886 8.431 1.00 0.00 C ATOM 349 CG PRO A 24 -13.305 -0.680 9.266 1.00 0.00 C ATOM 350 CD PRO A 24 -12.526 0.436 8.627 1.00 0.00 C ATOM 0 HA PRO A 24 -10.877 -2.242 8.529 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.758 -1.950 7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.161 -2.801 9.014 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.369 -0.444 9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.982 -0.842 10.294 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.137 0.999 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.160 1.146 9.369 1.00 0.00 H new ATOM 358 N ASP A 25 -12.193 -1.709 5.571 1.00 0.00 N ATOM 359 CA ASP A 25 -12.139 -2.159 4.186 1.00 0.00 C ATOM 360 C ASP A 25 -10.695 -2.253 3.704 1.00 0.00 C ATOM 361 O ASP A 25 -10.263 -3.291 3.203 1.00 0.00 O ATOM 362 CB ASP A 25 -12.929 -1.206 3.288 1.00 0.00 C ATOM 363 CG ASP A 25 -14.427 -1.395 3.423 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.974 -1.059 4.494 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.054 -1.878 2.456 1.00 0.00 O ATOM 0 H ASP A 25 -12.821 -0.922 5.735 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.587 -3.151 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.671 -0.177 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.638 -1.364 2.250 1.00 0.00 H new ATOM 370 N LEU A 26 -9.950 -1.163 3.865 1.00 0.00 N ATOM 371 CA LEU A 26 -8.552 -1.127 3.455 1.00 0.00 C ATOM 372 C LEU A 26 -7.713 -2.063 4.319 1.00 0.00 C ATOM 373 O LEU A 26 -6.822 -2.751 3.821 1.00 0.00 O ATOM 374 CB LEU A 26 -8.007 0.300 3.545 1.00 0.00 C ATOM 375 CG LEU A 26 -6.796 0.589 2.656 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.624 -0.298 3.047 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.152 0.391 1.190 1.00 0.00 C ATOM 0 H LEU A 26 -10.292 -0.294 4.276 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.491 -1.463 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.805 0.994 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.735 0.504 4.581 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.502 1.629 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.771 -0.079 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.354 -0.107 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.906 -1.345 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.279 0.601 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.472 -0.639 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.961 1.069 0.917 1.00 0.00 H new ATOM 389 N ARG A 27 -8.009 -2.089 5.615 1.00 0.00 N ATOM 390 CA ARG A 27 -7.290 -2.954 6.544 1.00 0.00 C ATOM 391 C ARG A 27 -7.394 -4.410 6.108 1.00 0.00 C ATOM 392 O ARG A 27 -6.482 -5.204 6.334 1.00 0.00 O ATOM 393 CB ARG A 27 -7.847 -2.797 7.959 1.00 0.00 C ATOM 394 CG ARG A 27 -7.173 -3.701 8.978 1.00 0.00 C ATOM 395 CD ARG A 27 -7.826 -3.588 10.346 1.00 0.00 C ATOM 396 NE ARG A 27 -7.025 -4.222 11.389 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.977 -5.536 11.584 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.681 -6.350 10.809 1.00 0.00 N ATOM 399 NH2 ARG A 27 -6.224 -6.038 12.553 1.00 0.00 N ATOM 0 H ARG A 27 -8.740 -1.522 6.045 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.241 -2.659 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.733 -1.760 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.916 -3.010 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.221 -4.735 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.118 -3.439 9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.974 -2.536 10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.813 -4.050 10.316 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.472 -3.623 12.002 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.261 -5.968 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.643 -7.358 10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.680 -5.416 13.151 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.189 -7.047 12.701 1.00 0.00 H new ATOM 413 N SER A 28 -8.520 -4.754 5.492 1.00 0.00 N ATOM 414 CA SER A 28 -8.742 -6.110 5.008 1.00 0.00 C ATOM 415 C SER A 28 -8.020 -6.326 3.686 1.00 0.00 C ATOM 416 O SER A 28 -7.637 -7.447 3.351 1.00 0.00 O ATOM 417 CB SER A 28 -10.239 -6.374 4.835 1.00 0.00 C ATOM 418 OG SER A 28 -10.936 -6.185 6.054 1.00 0.00 O ATOM 0 H SER A 28 -9.293 -4.112 5.316 1.00 0.00 H new ATOM 0 HA SER A 28 -8.344 -6.808 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.643 -5.706 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.393 -7.393 4.479 1.00 0.00 H new ATOM 0 HG SER A 28 -10.949 -5.231 6.279 1.00 0.00 H new ATOM 424 N LEU A 29 -7.830 -5.242 2.944 1.00 0.00 N ATOM 425 CA LEU A 29 -7.141 -5.303 1.664 1.00 0.00 C ATOM 426 C LEU A 29 -5.689 -5.730 1.853 1.00 0.00 C ATOM 427 O LEU A 29 -5.092 -6.349 0.972 1.00 0.00 O ATOM 428 CB LEU A 29 -7.202 -3.943 0.965 1.00 0.00 C ATOM 429 CG LEU A 29 -7.031 -3.990 -0.553 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.228 -2.607 -1.153 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.661 -4.542 -0.917 1.00 0.00 C ATOM 0 H LEU A 29 -8.145 -4.309 3.209 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.641 -6.045 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.160 -3.476 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.427 -3.301 1.383 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.790 -4.655 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.103 -2.658 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.231 -2.249 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.492 -1.921 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.556 -4.569 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.887 -3.903 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.557 -5.551 -0.518 1.00 0.00 H new ATOM 443 N PHE A 30 -5.130 -5.402 3.014 1.00 0.00 N ATOM 444 CA PHE A 30 -3.752 -5.760 3.327 1.00 0.00 C ATOM 445 C PHE A 30 -3.668 -7.191 3.846 1.00 0.00 C ATOM 446 O PHE A 30 -2.935 -8.018 3.305 1.00 0.00 O ATOM 447 CB PHE A 30 -3.174 -4.798 4.368 1.00 0.00 C ATOM 448 CG PHE A 30 -2.752 -3.473 3.800 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.899 -3.412 2.710 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.201 -2.290 4.364 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.507 -2.193 2.188 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.812 -1.070 3.847 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.964 -1.021 2.758 1.00 0.00 C ATOM 0 H PHE A 30 -5.611 -4.889 3.753 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.168 -5.686 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.919 -4.629 5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.315 -5.268 4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.536 -4.326 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.862 -2.322 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.844 -2.157 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.171 -0.155 4.294 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.659 -0.068 2.353 1.00 0.00 H new ATOM 463 N SER A 31 -4.425 -7.475 4.902 1.00 0.00 N ATOM 464 CA SER A 31 -4.436 -8.805 5.499 1.00 0.00 C ATOM 465 C SER A 31 -4.654 -9.878 4.437 1.00 0.00 C ATOM 466 O SER A 31 -4.243 -11.027 4.608 1.00 0.00 O ATOM 467 CB SER A 31 -5.529 -8.898 6.565 1.00 0.00 C ATOM 468 OG SER A 31 -5.130 -9.737 7.635 1.00 0.00 O ATOM 0 H SER A 31 -5.038 -6.802 5.361 1.00 0.00 H new ATOM 0 HA SER A 31 -3.466 -8.974 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.756 -7.902 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.445 -9.285 6.118 1.00 0.00 H new ATOM 0 HG SER A 31 -5.846 -9.778 8.303 1.00 0.00 H new ATOM 474 N ARG A 32 -5.302 -9.499 3.341 1.00 0.00 N ATOM 475 CA ARG A 32 -5.577 -10.429 2.254 1.00 0.00 C ATOM 476 C ARG A 32 -4.389 -10.524 1.303 1.00 0.00 C ATOM 477 O ARG A 32 -4.006 -11.614 0.877 1.00 0.00 O ATOM 478 CB ARG A 32 -6.825 -9.993 1.485 1.00 0.00 C ATOM 479 CG ARG A 32 -8.125 -10.434 2.138 1.00 0.00 C ATOM 480 CD ARG A 32 -9.205 -10.705 1.104 1.00 0.00 C ATOM 481 NE ARG A 32 -10.032 -11.852 1.466 1.00 0.00 N ATOM 482 CZ ARG A 32 -10.866 -11.861 2.502 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.983 -10.789 3.273 1.00 0.00 N ATOM 484 NH2 ARG A 32 -11.584 -12.944 2.768 1.00 0.00 N ATOM 0 H ARG A 32 -5.647 -8.552 3.182 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.751 -11.413 2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.824 -8.907 1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.779 -10.399 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.950 -11.334 2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.466 -9.663 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.836 -9.822 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.742 -10.884 0.134 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.967 -12.693 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.433 -9.954 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.624 -10.799 4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.497 -13.771 2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.223 -12.950 3.563 1.00 0.00 H new ATOM 498 N ALA A 33 -3.810 -9.374 0.971 1.00 0.00 N ATOM 499 CA ALA A 33 -2.667 -9.327 0.066 1.00 0.00 C ATOM 500 C ALA A 33 -1.432 -9.957 0.701 1.00 0.00 C ATOM 501 O ALA A 33 -0.515 -10.389 0.001 1.00 0.00 O ATOM 502 CB ALA A 33 -2.378 -7.890 -0.343 1.00 0.00 C ATOM 0 H ALA A 33 -4.113 -8.463 1.315 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.917 -9.905 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.523 -7.869 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.249 -7.473 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.155 -7.297 0.544 1.00 0.00 H new ATOM 508 N GLY A 34 -1.412 -10.008 2.029 1.00 0.00 N ATOM 509 CA GLY A 34 -0.282 -10.587 2.730 1.00 0.00 C ATOM 510 C GLY A 34 0.660 -9.536 3.283 1.00 0.00 C ATOM 511 O GLY A 34 1.880 -9.694 3.228 1.00 0.00 O ATOM 0 H GLY A 34 -2.158 -9.659 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.646 -11.210 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.266 -11.240 2.051 1.00 0.00 H new ATOM 515 N ILE A 35 0.094 -8.460 3.819 1.00 0.00 N ATOM 516 CA ILE A 35 0.891 -7.378 4.386 1.00 0.00 C ATOM 517 C ILE A 35 0.578 -7.185 5.867 1.00 0.00 C ATOM 518 O ILE A 35 -0.550 -7.406 6.306 1.00 0.00 O ATOM 519 CB ILE A 35 0.650 -6.052 3.642 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.797 -6.253 2.132 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.613 -4.984 4.136 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.631 -4.979 1.333 1.00 0.00 C ATOM 0 H ILE A 35 -0.914 -8.314 3.873 1.00 0.00 H new ATOM 0 HA ILE A 35 1.937 -7.661 4.272 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.367 -5.719 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.779 -6.677 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.058 -6.981 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.430 -4.053 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.462 -4.824 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.638 -5.309 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.748 -5.197 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.361 -4.565 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.387 -4.256 1.640 1.00 0.00 H new ATOM 534 N SER A 36 1.584 -6.774 6.634 1.00 0.00 N ATOM 535 CA SER A 36 1.414 -6.560 8.066 1.00 0.00 C ATOM 536 C SER A 36 1.722 -5.116 8.448 1.00 0.00 C ATOM 537 O SER A 36 2.010 -4.284 7.587 1.00 0.00 O ATOM 538 CB SER A 36 2.317 -7.512 8.855 1.00 0.00 C ATOM 539 OG SER A 36 3.646 -7.478 8.366 1.00 0.00 O ATOM 0 H SER A 36 2.524 -6.583 6.287 1.00 0.00 H new ATOM 0 HA SER A 36 0.373 -6.764 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.307 -7.237 9.910 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.927 -8.528 8.787 1.00 0.00 H new ATOM 0 HG SER A 36 4.202 -8.093 8.888 1.00 0.00 H new ATOM 545 N GLU A 37 1.655 -4.826 9.743 1.00 0.00 N ATOM 546 CA GLU A 37 1.919 -3.481 10.244 1.00 0.00 C ATOM 547 C GLU A 37 3.320 -3.020 9.861 1.00 0.00 C ATOM 548 O GLU A 37 3.531 -1.856 9.521 1.00 0.00 O ATOM 549 CB GLU A 37 1.755 -3.441 11.764 1.00 0.00 C ATOM 550 CG GLU A 37 0.916 -2.271 12.253 1.00 0.00 C ATOM 551 CD GLU A 37 0.010 -2.645 13.409 1.00 0.00 C ATOM 552 OE1 GLU A 37 -0.627 -3.717 13.342 1.00 0.00 O ATOM 553 OE2 GLU A 37 -0.067 -1.863 14.381 1.00 0.00 O ATOM 0 H GLU A 37 1.420 -5.506 10.466 1.00 0.00 H new ATOM 0 HA GLU A 37 1.197 -2.803 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.295 -4.372 12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.741 -3.389 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.576 -1.460 12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.310 -1.894 11.429 1.00 0.00 H new ATOM 560 N ALA A 38 4.280 -3.939 9.921 1.00 0.00 N ATOM 561 CA ALA A 38 5.662 -3.624 9.584 1.00 0.00 C ATOM 562 C ALA A 38 5.750 -2.904 8.242 1.00 0.00 C ATOM 563 O ALA A 38 6.396 -1.863 8.125 1.00 0.00 O ATOM 564 CB ALA A 38 6.500 -4.893 9.561 1.00 0.00 C ATOM 0 H ALA A 38 4.125 -4.908 10.200 1.00 0.00 H new ATOM 0 HA ALA A 38 6.055 -2.956 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.531 -4.644 9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.472 -5.366 10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.099 -5.580 8.816 1.00 0.00 H new ATOM 570 N GLN A 39 5.096 -3.466 7.233 1.00 0.00 N ATOM 571 CA GLN A 39 5.099 -2.881 5.898 1.00 0.00 C ATOM 572 C GLN A 39 4.456 -1.498 5.908 1.00 0.00 C ATOM 573 O GLN A 39 4.894 -0.594 5.197 1.00 0.00 O ATOM 574 CB GLN A 39 4.358 -3.792 4.920 1.00 0.00 C ATOM 575 CG GLN A 39 5.280 -4.636 4.053 1.00 0.00 C ATOM 576 CD GLN A 39 5.367 -6.074 4.522 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.530 -6.906 4.171 1.00 0.00 O ATOM 578 NE2 GLN A 39 6.383 -6.376 5.322 1.00 0.00 N ATOM 0 H GLN A 39 4.556 -4.328 7.314 1.00 0.00 H new ATOM 0 HA GLN A 39 6.135 -2.778 5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.697 -4.452 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.726 -3.181 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.924 -4.615 3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.277 -4.196 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.054 -5.656 5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.492 -7.328 5.670 1.00 0.00 H new ATOM 587 N LEU A 40 3.414 -1.340 6.719 1.00 0.00 N ATOM 588 CA LEU A 40 2.710 -0.067 6.819 1.00 0.00 C ATOM 589 C LEU A 40 3.531 0.951 7.607 1.00 0.00 C ATOM 590 O LEU A 40 3.663 2.105 7.199 1.00 0.00 O ATOM 591 CB LEU A 40 1.345 -0.265 7.484 1.00 0.00 C ATOM 592 CG LEU A 40 0.496 -1.392 6.893 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.775 -1.583 7.707 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.162 -1.100 5.437 1.00 0.00 C ATOM 0 H LEU A 40 3.039 -2.077 7.316 1.00 0.00 H new ATOM 0 HA LEU A 40 2.562 0.317 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.500 -0.465 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.785 0.667 7.414 1.00 0.00 H new ATOM 0 HG LEU A 40 1.072 -2.317 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.367 -2.388 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.514 -1.837 8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.355 -0.660 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.442 -1.912 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.395 -0.166 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.084 -1.013 4.863 1.00 0.00 H new ATOM 606 N THR A 41 4.084 0.516 8.734 1.00 0.00 N ATOM 607 CA THR A 41 4.890 1.391 9.579 1.00 0.00 C ATOM 608 C THR A 41 6.143 1.860 8.847 1.00 0.00 C ATOM 609 O THR A 41 6.498 3.037 8.895 1.00 0.00 O ATOM 610 CB THR A 41 5.282 0.668 10.869 1.00 0.00 C ATOM 611 OG1 THR A 41 5.862 -0.592 10.579 1.00 0.00 O ATOM 612 CG2 THR A 41 4.117 0.436 11.807 1.00 0.00 C ATOM 0 H THR A 41 3.989 -0.437 9.084 1.00 0.00 H new ATOM 0 HA THR A 41 4.289 2.266 9.826 1.00 0.00 H new ATOM 0 HB THR A 41 5.995 1.327 11.364 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.169 -1.204 10.254 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.467 -0.081 12.701 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.681 1.394 12.089 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.363 -0.173 11.307 1.00 0.00 H new ATOM 620 N ASP A 42 6.814 0.930 8.174 1.00 0.00 N ATOM 621 CA ASP A 42 8.032 1.249 7.436 1.00 0.00 C ATOM 622 C ASP A 42 7.821 2.455 6.529 1.00 0.00 C ATOM 623 O ASP A 42 7.190 2.351 5.477 1.00 0.00 O ATOM 624 CB ASP A 42 8.477 0.044 6.605 1.00 0.00 C ATOM 625 CG ASP A 42 9.965 -0.220 6.720 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.430 -0.514 7.841 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.665 -0.136 5.689 1.00 0.00 O ATOM 0 H ASP A 42 6.535 -0.050 8.124 1.00 0.00 H new ATOM 0 HA ASP A 42 8.811 1.494 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.928 -0.840 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.221 0.213 5.559 1.00 0.00 H new ATOM 632 N ALA A 43 8.355 3.601 6.941 1.00 0.00 N ATOM 633 CA ALA A 43 8.225 4.826 6.161 1.00 0.00 C ATOM 634 C ALA A 43 8.721 4.621 4.733 1.00 0.00 C ATOM 635 O ALA A 43 8.208 5.229 3.795 1.00 0.00 O ATOM 636 CB ALA A 43 8.985 5.962 6.830 1.00 0.00 C ATOM 0 H ALA A 43 8.881 3.706 7.809 1.00 0.00 H new ATOM 0 HA ALA A 43 7.168 5.090 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.879 6.870 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.581 6.132 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.040 5.699 6.905 1.00 0.00 H new ATOM 642 N GLU A 44 9.719 3.758 4.577 1.00 0.00 N ATOM 643 CA GLU A 44 10.281 3.469 3.263 1.00 0.00 C ATOM 644 C GLU A 44 9.288 2.687 2.410 1.00 0.00 C ATOM 645 O GLU A 44 8.889 3.135 1.335 1.00 0.00 O ATOM 646 CB GLU A 44 11.584 2.679 3.405 1.00 0.00 C ATOM 647 CG GLU A 44 12.797 3.397 2.835 1.00 0.00 C ATOM 648 CD GLU A 44 14.106 2.786 3.295 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.138 2.217 4.406 1.00 0.00 O ATOM 650 OE2 GLU A 44 15.100 2.879 2.544 1.00 0.00 O ATOM 0 H GLU A 44 10.155 3.247 5.344 1.00 0.00 H new ATOM 0 HA GLU A 44 10.492 4.417 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.759 2.470 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.473 1.718 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.751 3.371 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.766 4.446 3.131 1.00 0.00 H new ATOM 657 N THR A 45 8.889 1.517 2.898 1.00 0.00 N ATOM 658 CA THR A 45 7.935 0.677 2.186 1.00 0.00 C ATOM 659 C THR A 45 6.604 1.400 2.014 1.00 0.00 C ATOM 660 O THR A 45 5.893 1.187 1.032 1.00 0.00 O ATOM 661 CB THR A 45 7.719 -0.638 2.938 1.00 0.00 C ATOM 662 OG1 THR A 45 8.938 -1.102 3.491 1.00 0.00 O ATOM 663 CG2 THR A 45 7.156 -1.741 2.070 1.00 0.00 C ATOM 0 H THR A 45 9.212 1.130 3.784 1.00 0.00 H new ATOM 0 HA THR A 45 8.344 0.459 1.199 1.00 0.00 H new ATOM 0 HB THR A 45 6.992 -0.410 3.718 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.781 -1.943 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.028 -2.644 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.191 -1.432 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.843 -1.943 1.248 1.00 0.00 H new ATOM 671 N SER A 46 6.274 2.260 2.973 1.00 0.00 N ATOM 672 CA SER A 46 5.029 3.018 2.920 1.00 0.00 C ATOM 673 C SER A 46 4.883 3.715 1.573 1.00 0.00 C ATOM 674 O SER A 46 3.926 3.472 0.837 1.00 0.00 O ATOM 675 CB SER A 46 4.978 4.048 4.050 1.00 0.00 C ATOM 676 OG SER A 46 5.014 3.417 5.318 1.00 0.00 O ATOM 0 H SER A 46 6.850 2.449 3.794 1.00 0.00 H new ATOM 0 HA SER A 46 4.201 2.320 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.819 4.735 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.069 4.644 3.963 1.00 0.00 H new ATOM 0 HG SER A 46 5.599 2.632 5.276 1.00 0.00 H new ATOM 682 N LYS A 47 5.849 4.568 1.246 1.00 0.00 N ATOM 683 CA LYS A 47 5.842 5.271 -0.029 1.00 0.00 C ATOM 684 C LYS A 47 5.784 4.274 -1.179 1.00 0.00 C ATOM 685 O LYS A 47 5.134 4.516 -2.196 1.00 0.00 O ATOM 686 CB LYS A 47 7.088 6.150 -0.158 1.00 0.00 C ATOM 687 CG LYS A 47 6.833 7.468 -0.868 1.00 0.00 C ATOM 688 CD LYS A 47 7.666 7.590 -2.134 1.00 0.00 C ATOM 689 CE LYS A 47 7.674 9.017 -2.657 1.00 0.00 C ATOM 690 NZ LYS A 47 8.335 9.119 -3.986 1.00 0.00 N ATOM 0 H LYS A 47 6.644 4.788 1.846 1.00 0.00 H new ATOM 0 HA LYS A 47 4.958 5.908 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.483 6.354 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.857 5.598 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.775 7.549 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.066 8.295 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.688 7.269 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.268 6.923 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.649 9.381 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.190 9.661 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.319 10.108 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.320 8.796 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.828 8.524 -4.672 1.00 0.00 H new ATOM 704 N LEU A 48 6.460 3.145 -0.998 1.00 0.00 N ATOM 705 CA LEU A 48 6.474 2.087 -1.999 1.00 0.00 C ATOM 706 C LEU A 48 5.086 1.472 -2.137 1.00 0.00 C ATOM 707 O LEU A 48 4.676 1.066 -3.224 1.00 0.00 O ATOM 708 CB LEU A 48 7.491 1.012 -1.604 1.00 0.00 C ATOM 709 CG LEU A 48 7.530 -0.224 -2.507 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.362 -1.150 -2.200 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.522 0.182 -3.973 1.00 0.00 C ATOM 0 H LEU A 48 7.008 2.939 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 48 6.762 2.513 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.483 1.463 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.275 0.689 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 48 8.456 -0.764 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.408 -2.022 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.416 -1.472 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.424 -0.621 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.550 -0.711 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.616 0.748 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.395 0.800 -4.184 1.00 0.00 H new ATOM 723 N ILE A 49 4.364 1.418 -1.023 1.00 0.00 N ATOM 724 CA ILE A 49 3.018 0.863 -1.005 1.00 0.00 C ATOM 725 C ILE A 49 1.982 1.930 -1.335 1.00 0.00 C ATOM 726 O ILE A 49 0.880 1.611 -1.783 1.00 0.00 O ATOM 727 CB ILE A 49 2.684 0.241 0.368 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.690 -0.858 0.713 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.268 -0.318 0.375 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.710 -1.221 2.181 1.00 0.00 C ATOM 0 H ILE A 49 4.692 1.754 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 49 2.986 0.082 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 49 2.748 1.024 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.456 -1.749 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.687 -0.534 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.053 -0.752 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.559 0.484 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.177 -1.087 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.446 -2.006 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.974 -0.342 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.724 -1.576 2.481 1.00 0.00 H new ATOM 742 N TYR A 50 2.331 3.197 -1.124 1.00 0.00 N ATOM 743 CA TYR A 50 1.387 4.271 -1.393 1.00 0.00 C ATOM 744 C TYR A 50 1.068 4.348 -2.883 1.00 0.00 C ATOM 745 O TYR A 50 0.012 4.844 -3.272 1.00 0.00 O ATOM 746 CB TYR A 50 1.884 5.624 -0.809 1.00 0.00 C ATOM 747 CG TYR A 50 1.959 6.782 -1.793 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.911 6.798 -2.804 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.069 7.849 -1.711 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.979 7.846 -3.702 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.132 8.899 -2.606 1.00 0.00 C ATOM 752 CZ TYR A 50 2.088 8.894 -3.599 1.00 0.00 C ATOM 753 OH TYR A 50 2.154 9.939 -4.492 1.00 0.00 O ATOM 0 H TYR A 50 3.241 3.498 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 50 0.452 4.046 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.223 5.910 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.875 5.471 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.609 5.978 -2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.317 7.856 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.727 7.845 -4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.435 9.720 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 50 1.456 10.594 -4.282 1.00 0.00 H new ATOM 763 N ASP A 51 1.952 3.806 -3.709 1.00 0.00 N ATOM 764 CA ASP A 51 1.696 3.745 -5.137 1.00 0.00 C ATOM 765 C ASP A 51 0.424 2.943 -5.403 1.00 0.00 C ATOM 766 O ASP A 51 -0.165 3.038 -6.478 1.00 0.00 O ATOM 767 CB ASP A 51 2.882 3.107 -5.864 1.00 0.00 C ATOM 768 CG ASP A 51 2.642 2.973 -7.356 1.00 0.00 C ATOM 769 OD1 ASP A 51 2.550 4.016 -8.038 1.00 0.00 O ATOM 770 OD2 ASP A 51 2.550 1.827 -7.843 1.00 0.00 O ATOM 0 H ASP A 51 2.844 3.406 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 51 1.563 4.759 -5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.775 3.709 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.077 2.122 -5.440 1.00 0.00 H new ATOM 775 N PHE A 52 -0.003 2.158 -4.408 1.00 0.00 N ATOM 776 CA PHE A 52 -1.185 1.320 -4.542 1.00 0.00 C ATOM 777 C PHE A 52 -2.465 2.055 -4.120 1.00 0.00 C ATOM 778 O PHE A 52 -3.382 2.211 -4.927 1.00 0.00 O ATOM 779 CB PHE A 52 -1.002 0.039 -3.719 1.00 0.00 C ATOM 780 CG PHE A 52 -2.243 -0.800 -3.622 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.546 -1.726 -4.606 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.115 -0.650 -2.555 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.689 -2.495 -4.525 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.261 -1.417 -2.469 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.548 -2.341 -3.456 1.00 0.00 C ATOM 0 H PHE A 52 0.458 2.090 -3.501 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.299 1.064 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.205 -0.557 -4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.676 0.307 -2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.880 -1.848 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.897 0.073 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.911 -3.217 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.932 -1.295 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.443 -2.942 -3.391 1.00 0.00 H new ATOM 795 N ILE A 53 -2.548 2.479 -2.854 1.00 0.00 N ATOM 796 CA ILE A 53 -3.749 3.175 -2.374 1.00 0.00 C ATOM 797 C ILE A 53 -3.943 4.505 -3.101 1.00 0.00 C ATOM 798 O ILE A 53 -5.043 5.057 -3.115 1.00 0.00 O ATOM 799 CB ILE A 53 -3.806 3.367 -0.832 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.260 2.133 -0.110 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.242 3.633 -0.401 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.223 2.291 1.392 1.00 0.00 C ATOM 0 H ILE A 53 -1.815 2.357 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.581 2.513 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.184 4.221 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.876 1.270 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.253 1.924 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.278 3.767 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.608 4.535 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.869 2.787 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.826 1.382 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.584 3.135 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.232 2.470 1.764 1.00 0.00 H new ATOM 814 N GLU A 54 -2.880 5.003 -3.729 1.00 0.00 N ATOM 815 CA GLU A 54 -2.957 6.244 -4.490 1.00 0.00 C ATOM 816 C GLU A 54 -3.561 5.999 -5.871 1.00 0.00 C ATOM 817 O GLU A 54 -4.488 6.692 -6.288 1.00 0.00 O ATOM 818 CB GLU A 54 -1.563 6.856 -4.641 1.00 0.00 C ATOM 819 CG GLU A 54 -1.582 8.340 -4.966 1.00 0.00 C ATOM 820 CD GLU A 54 -1.334 8.619 -6.435 1.00 0.00 C ATOM 821 OE1 GLU A 54 -1.515 7.694 -7.253 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.957 9.763 -6.766 1.00 0.00 O ATOM 0 H GLU A 54 -1.958 4.566 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.600 6.936 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.006 6.702 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.026 6.327 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.546 8.759 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.824 8.848 -4.371 1.00 0.00 H new ATOM 829 N ASP A 55 -3.022 5.007 -6.574 1.00 0.00 N ATOM 830 CA ASP A 55 -3.483 4.675 -7.921 1.00 0.00 C ATOM 831 C ASP A 55 -4.957 4.279 -7.935 1.00 0.00 C ATOM 832 O ASP A 55 -5.713 4.702 -8.810 1.00 0.00 O ATOM 833 CB ASP A 55 -2.645 3.535 -8.501 1.00 0.00 C ATOM 834 CG ASP A 55 -2.032 3.890 -9.842 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.361 4.940 -9.926 1.00 0.00 O ATOM 836 OD2 ASP A 55 -2.224 3.120 -10.805 1.00 0.00 O ATOM 0 H ASP A 55 -2.263 4.417 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.365 5.569 -8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.852 3.278 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.270 2.649 -8.614 1.00 0.00 H new ATOM 841 N GLN A 56 -5.358 3.454 -6.973 1.00 0.00 N ATOM 842 CA GLN A 56 -6.737 2.983 -6.897 1.00 0.00 C ATOM 843 C GLN A 56 -7.721 4.149 -6.854 1.00 0.00 C ATOM 844 O GLN A 56 -8.902 3.986 -7.157 1.00 0.00 O ATOM 845 CB GLN A 56 -6.928 2.102 -5.659 1.00 0.00 C ATOM 846 CG GLN A 56 -6.865 0.609 -5.945 1.00 0.00 C ATOM 847 CD GLN A 56 -5.462 0.049 -5.812 1.00 0.00 C ATOM 848 OE1 GLN A 56 -4.798 0.244 -4.795 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.004 -0.651 -6.843 1.00 0.00 N ATOM 0 H GLN A 56 -4.749 3.098 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.938 2.398 -7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.162 2.353 -4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.892 2.334 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.529 0.083 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.234 0.420 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.590 -0.788 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.067 -1.052 -6.811 1.00 0.00 H new ATOM 858 N GLY A 57 -7.229 5.326 -6.480 1.00 0.00 N ATOM 859 CA GLY A 57 -8.087 6.491 -6.393 1.00 0.00 C ATOM 860 C GLY A 57 -8.206 7.001 -4.975 1.00 0.00 C ATOM 861 O GLY A 57 -8.449 8.186 -4.749 1.00 0.00 O ATOM 0 H GLY A 57 -6.253 5.493 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.691 7.281 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.078 6.241 -6.773 1.00 0.00 H new ATOM 865 N GLY A 58 -8.026 6.099 -4.016 1.00 0.00 N ATOM 866 CA GLY A 58 -8.107 6.477 -2.622 1.00 0.00 C ATOM 867 C GLY A 58 -8.451 5.311 -1.721 1.00 0.00 C ATOM 868 O GLY A 58 -9.163 4.394 -2.121 1.00 0.00 O ATOM 0 H GLY A 58 -7.825 5.113 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.154 6.904 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.860 7.257 -2.504 1.00 0.00 H new ATOM 872 N LEU A 59 -7.931 5.352 -0.505 1.00 0.00 N ATOM 873 CA LEU A 59 -8.167 4.305 0.480 1.00 0.00 C ATOM 874 C LEU A 59 -9.658 4.175 0.783 1.00 0.00 C ATOM 875 O LEU A 59 -10.244 3.103 0.626 1.00 0.00 O ATOM 876 CB LEU A 59 -7.388 4.672 1.741 1.00 0.00 C ATOM 877 CG LEU A 59 -7.948 4.169 3.070 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.826 3.947 4.072 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.961 5.166 3.610 1.00 0.00 C ATOM 0 H LEU A 59 -7.335 6.109 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.832 3.342 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.372 4.291 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.317 5.759 1.792 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.447 3.214 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.244 3.589 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.129 3.207 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.300 4.886 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.358 4.804 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.476 6.130 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.776 5.280 2.895 1.00 0.00 H new ATOM 891 N GLU A 60 -10.274 5.286 1.173 1.00 0.00 N ATOM 892 CA GLU A 60 -11.707 5.313 1.418 1.00 0.00 C ATOM 893 C GLU A 60 -12.426 5.176 0.088 1.00 0.00 C ATOM 894 O GLU A 60 -13.488 4.561 -0.011 1.00 0.00 O ATOM 895 CB GLU A 60 -12.109 6.617 2.109 1.00 0.00 C ATOM 896 CG GLU A 60 -11.558 7.859 1.426 1.00 0.00 C ATOM 897 CD GLU A 60 -12.457 9.068 1.598 1.00 0.00 C ATOM 898 OE1 GLU A 60 -13.513 8.934 2.251 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.104 10.149 1.080 1.00 0.00 O ATOM 0 H GLU A 60 -9.802 6.177 1.325 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.983 4.488 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.197 6.682 2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.760 6.595 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.571 8.084 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.427 7.657 0.363 1.00 0.00 H new ATOM 906 N ALA A 61 -11.792 5.724 -0.939 1.00 0.00 N ATOM 907 CA ALA A 61 -12.281 5.636 -2.297 1.00 0.00 C ATOM 908 C ALA A 61 -12.325 4.175 -2.741 1.00 0.00 C ATOM 909 O ALA A 61 -13.152 3.787 -3.565 1.00 0.00 O ATOM 910 CB ALA A 61 -11.377 6.464 -3.195 1.00 0.00 C ATOM 0 H ALA A 61 -10.919 6.244 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.295 6.029 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.734 6.407 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.388 7.503 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.359 6.077 -3.143 1.00 0.00 H new ATOM 916 N VAL A 62 -11.446 3.364 -2.150 1.00 0.00 N ATOM 917 CA VAL A 62 -11.407 1.932 -2.423 1.00 0.00 C ATOM 918 C VAL A 62 -12.542 1.241 -1.679 1.00 0.00 C ATOM 919 O VAL A 62 -13.197 0.345 -2.213 1.00 0.00 O ATOM 920 CB VAL A 62 -10.048 1.316 -2.002 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.082 -0.210 -2.055 1.00 0.00 C ATOM 922 CG2 VAL A 62 -8.928 1.851 -2.879 1.00 0.00 C ATOM 0 H VAL A 62 -10.749 3.680 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.525 1.784 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.859 1.608 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.112 -0.606 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.852 -0.581 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.306 -0.534 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.981 1.409 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.126 1.594 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.872 2.935 -2.777 1.00 0.00 H new ATOM 932 N ARG A 63 -12.776 1.678 -0.445 1.00 0.00 N ATOM 933 CA ARG A 63 -13.852 1.131 0.366 1.00 0.00 C ATOM 934 C ARG A 63 -15.164 1.172 -0.406 1.00 0.00 C ATOM 935 O ARG A 63 -16.034 0.322 -0.225 1.00 0.00 O ATOM 936 CB ARG A 63 -13.980 1.918 1.673 1.00 0.00 C ATOM 937 CG ARG A 63 -15.222 1.573 2.478 1.00 0.00 C ATOM 938 CD ARG A 63 -15.017 1.830 3.962 1.00 0.00 C ATOM 939 NE ARG A 63 -15.233 3.232 4.308 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.075 3.719 5.535 1.00 0.00 C ATOM 941 NH1 ARG A 63 -14.700 2.920 6.524 1.00 0.00 N ATOM 942 NH2 ARG A 63 -15.290 5.005 5.772 1.00 0.00 N ATOM 0 H ARG A 63 -12.233 2.410 0.013 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.620 0.093 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.098 1.732 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.991 2.984 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -16.065 2.164 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.478 0.525 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.701 1.205 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.005 1.538 4.244 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.521 3.873 3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.532 1.930 6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.579 3.295 7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.577 5.622 5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.168 5.377 6.714 1.00 0.00 H new ATOM 956 N GLN A 64 -15.286 2.160 -1.289 1.00 0.00 N ATOM 957 CA GLN A 64 -16.479 2.302 -2.112 1.00 0.00 C ATOM 958 C GLN A 64 -16.576 1.161 -3.119 1.00 0.00 C ATOM 959 O GLN A 64 -17.671 0.751 -3.506 1.00 0.00 O ATOM 960 CB GLN A 64 -16.460 3.645 -2.847 1.00 0.00 C ATOM 961 CG GLN A 64 -16.736 4.836 -1.945 1.00 0.00 C ATOM 962 CD GLN A 64 -16.283 6.148 -2.556 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.538 6.421 -3.729 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.607 6.970 -1.761 1.00 0.00 N ATOM 0 H GLN A 64 -14.574 2.872 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.351 2.266 -1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.487 3.777 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.203 3.624 -3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.804 4.887 -1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.229 4.690 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.418 6.704 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.277 7.867 -2.117 1.00 0.00 H new ATOM 973 N GLU A 65 -15.421 0.652 -3.539 1.00 0.00 N ATOM 974 CA GLU A 65 -15.368 -0.445 -4.499 1.00 0.00 C ATOM 975 C GLU A 65 -15.499 -1.793 -3.797 1.00 0.00 C ATOM 976 O GLU A 65 -16.344 -2.612 -4.156 1.00 0.00 O ATOM 977 CB GLU A 65 -14.059 -0.394 -5.289 1.00 0.00 C ATOM 978 CG GLU A 65 -13.862 -1.582 -6.217 1.00 0.00 C ATOM 979 CD GLU A 65 -13.769 -1.173 -7.674 1.00 0.00 C ATOM 980 OE1 GLU A 65 -14.785 -0.696 -8.222 1.00 0.00 O ATOM 981 OE2 GLU A 65 -12.681 -1.333 -8.267 1.00 0.00 O ATOM 0 H GLU A 65 -14.508 0.983 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.206 -0.333 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.035 0.524 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.224 -0.347 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.953 -2.113 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.691 -2.279 -6.091 1.00 0.00 H new ATOM 988 N MET A 66 -14.649 -2.020 -2.800 1.00 0.00 N ATOM 989 CA MET A 66 -14.662 -3.271 -2.051 1.00 0.00 C ATOM 990 C MET A 66 -16.069 -3.605 -1.565 1.00 0.00 C ATOM 991 O MET A 66 -16.516 -4.749 -1.665 1.00 0.00 O ATOM 992 CB MET A 66 -13.707 -3.186 -0.858 1.00 0.00 C ATOM 993 CG MET A 66 -12.480 -4.072 -0.995 1.00 0.00 C ATOM 994 SD MET A 66 -12.486 -5.451 0.167 1.00 0.00 S ATOM 995 CE MET A 66 -10.767 -5.950 0.111 1.00 0.00 C ATOM 0 H MET A 66 -13.942 -1.353 -2.492 1.00 0.00 H new ATOM 0 HA MET A 66 -14.331 -4.066 -2.720 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.386 -2.152 -0.734 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.246 -3.464 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.428 -4.460 -2.012 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.584 -3.472 -0.836 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.612 -6.796 0.780 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.505 -6.239 -0.907 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.136 -5.118 0.425 1.00 0.00 H new ATOM 1005 N ARG A 67 -16.761 -2.603 -1.035 1.00 0.00 N ATOM 1006 CA ARG A 67 -18.116 -2.792 -0.528 1.00 0.00 C ATOM 1007 C ARG A 67 -19.066 -3.206 -1.647 1.00 0.00 C ATOM 1008 O ARG A 67 -20.093 -3.837 -1.399 1.00 0.00 O ATOM 1009 CB ARG A 67 -18.620 -1.509 0.134 1.00 0.00 C ATOM 1010 CG ARG A 67 -19.364 -1.748 1.437 1.00 0.00 C ATOM 1011 CD ARG A 67 -19.887 -0.449 2.027 1.00 0.00 C ATOM 1012 NE ARG A 67 -20.346 -0.619 3.402 1.00 0.00 N ATOM 1013 CZ ARG A 67 -19.530 -0.677 4.449 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -18.219 -0.576 4.276 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -20.023 -0.835 5.670 1.00 0.00 N ATOM 0 H ARG A 67 -16.406 -1.651 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.089 -3.590 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -17.772 -0.851 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.278 -0.987 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -20.196 -2.430 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.700 -2.232 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.100 0.305 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.708 -0.077 1.414 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.349 -0.698 3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.836 -0.454 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.593 -0.621 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.031 -0.912 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.394 -0.879 6.472 1.00 0.00 H new ATOM 1029 N ARG A 68 -18.718 -2.845 -2.878 1.00 0.00 N ATOM 1030 CA ARG A 68 -19.542 -3.179 -4.032 1.00 0.00 C ATOM 1031 C ARG A 68 -18.684 -3.381 -5.276 1.00 0.00 C ATOM 1032 O ARG A 68 -18.794 -2.631 -6.247 1.00 0.00 O ATOM 1033 CB ARG A 68 -20.571 -2.075 -4.286 1.00 0.00 C ATOM 1034 CG ARG A 68 -21.357 -1.678 -3.046 1.00 0.00 C ATOM 1035 CD ARG A 68 -22.387 -0.605 -3.360 1.00 0.00 C ATOM 1036 NE ARG A 68 -22.983 -0.045 -2.149 1.00 0.00 N ATOM 1037 CZ ARG A 68 -24.023 0.783 -2.156 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -24.577 1.146 -3.304 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -24.507 1.251 -1.013 1.00 0.00 N ATOM 0 H ARG A 68 -17.871 -2.322 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.062 -4.112 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.059 -1.196 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.267 -2.409 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.857 -2.555 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.672 -1.313 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.916 0.193 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -23.171 -1.028 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.579 -0.304 -1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -24.205 0.790 -4.185 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -25.375 1.781 -3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -24.081 0.976 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -25.305 1.886 -1.019 1.00 0.00 H new ATOM 1053 N GLN A 69 -17.828 -4.397 -5.241 1.00 0.00 N ATOM 1054 CA GLN A 69 -16.952 -4.698 -6.366 1.00 0.00 C ATOM 1055 C GLN A 69 -17.735 -5.328 -7.513 1.00 0.00 C ATOM 1056 O GLN A 69 -18.628 -6.147 -7.291 1.00 0.00 O ATOM 1057 CB GLN A 69 -15.824 -5.634 -5.929 1.00 0.00 C ATOM 1058 CG GLN A 69 -14.624 -5.619 -6.862 1.00 0.00 C ATOM 1059 CD GLN A 69 -13.439 -6.380 -6.303 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -12.517 -5.790 -5.740 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -13.456 -7.699 -6.456 1.00 0.00 N ATOM 0 H GLN A 69 -17.723 -5.026 -4.445 1.00 0.00 H new ATOM 0 HA GLN A 69 -16.520 -3.760 -6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.498 -5.354 -4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.211 -6.651 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.909 -6.052 -7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.330 -4.587 -7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.240 -8.147 -6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.685 -8.264 -6.100 1.00 0.00 H new ATOM 1070 N GLY A 70 -17.395 -4.942 -8.738 1.00 0.00 N ATOM 1071 CA GLY A 70 -18.076 -5.479 -9.902 1.00 0.00 C ATOM 1072 C GLY A 70 -19.553 -5.139 -9.920 1.00 0.00 C ATOM 1073 O GLY A 70 -19.970 -4.190 -10.585 1.00 0.00 O ATOM 0 H GLY A 70 -16.660 -4.266 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.606 -5.090 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.956 -6.562 -9.921 1.00 0.00 H new ATOM 1077 N GLY A 71 -20.346 -5.916 -9.190 1.00 0.00 N ATOM 1078 CA GLY A 71 -21.777 -5.676 -9.141 1.00 0.00 C ATOM 1079 C GLY A 71 -22.538 -6.829 -8.515 1.00 0.00 C ATOM 1080 O GLY A 71 -22.198 -7.287 -7.424 1.00 0.00 O ATOM 0 H GLY A 71 -20.024 -6.707 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -21.970 -4.766 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -22.148 -5.506 -10.152 1.00 0.00 H new ATOM 1084 N SER A 72 -23.572 -7.299 -9.206 1.00 0.00 N ATOM 1085 CA SER A 72 -24.383 -8.405 -8.713 1.00 0.00 C ATOM 1086 C SER A 72 -24.290 -9.607 -9.646 1.00 0.00 C ATOM 1087 O SER A 72 -24.106 -9.455 -10.853 1.00 0.00 O ATOM 1088 CB SER A 72 -25.843 -7.969 -8.569 1.00 0.00 C ATOM 1089 OG SER A 72 -26.417 -8.492 -7.384 1.00 0.00 O ATOM 0 H SER A 72 -23.868 -6.930 -10.110 1.00 0.00 H new ATOM 0 HA SER A 72 -23.999 -8.696 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 72 -25.901 -6.881 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 72 -26.414 -8.308 -9.434 1.00 0.00 H new ATOM 0 HG SER A 72 -27.349 -8.198 -7.315 1.00 0.00 H new ATOM 1095 N GLY A 73 -24.420 -10.802 -9.078 1.00 0.00 N ATOM 1096 CA GLY A 73 -24.349 -12.012 -9.875 1.00 0.00 C ATOM 1097 C GLY A 73 -23.365 -13.020 -9.315 1.00 0.00 C ATOM 1098 O GLY A 73 -22.310 -13.261 -9.903 1.00 0.00 O ATOM 0 H GLY A 73 -24.573 -10.953 -8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -25.338 -12.466 -9.929 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -24.060 -11.755 -10.894 1.00 0.00 H new ATOM 1102 N GLY A 74 -23.709 -13.611 -8.176 1.00 0.00 N ATOM 1103 CA GLY A 74 -22.837 -14.592 -7.555 1.00 0.00 C ATOM 1104 C GLY A 74 -21.499 -14.006 -7.153 1.00 0.00 C ATOM 1105 O GLY A 74 -21.274 -12.803 -7.287 1.00 0.00 O ATOM 0 H GLY A 74 -24.576 -13.429 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -23.329 -15.005 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -22.675 -15.419 -8.246 1.00 0.00 H new ATOM 1109 N SER A 75 -20.605 -14.859 -6.659 1.00 0.00 N ATOM 1110 CA SER A 75 -19.281 -14.419 -6.237 1.00 0.00 C ATOM 1111 C SER A 75 -18.220 -14.843 -7.247 1.00 0.00 C ATOM 1112 O SER A 75 -17.361 -15.673 -6.949 1.00 0.00 O ATOM 1113 CB SER A 75 -18.947 -14.991 -4.858 1.00 0.00 C ATOM 1114 OG SER A 75 -19.761 -16.114 -4.560 1.00 0.00 O ATOM 0 H SER A 75 -20.775 -15.858 -6.542 1.00 0.00 H new ATOM 0 HA SER A 75 -19.288 -13.331 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 75 -17.897 -15.281 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 75 -19.089 -14.223 -4.098 1.00 0.00 H new ATOM 0 HG SER A 75 -19.527 -16.462 -3.674 1.00 0.00 H new ATOM 1120 N GLN A 76 -18.287 -14.270 -8.445 1.00 0.00 N ATOM 1121 CA GLN A 76 -17.335 -14.592 -9.501 1.00 0.00 C ATOM 1122 C GLN A 76 -16.254 -13.520 -9.609 1.00 0.00 C ATOM 1123 O GLN A 76 -16.304 -12.662 -10.492 1.00 0.00 O ATOM 1124 CB GLN A 76 -18.059 -14.738 -10.841 1.00 0.00 C ATOM 1125 CG GLN A 76 -18.702 -16.101 -11.041 1.00 0.00 C ATOM 1126 CD GLN A 76 -19.945 -16.290 -10.193 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -20.921 -15.554 -10.329 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -19.914 -17.283 -9.312 1.00 0.00 N ATOM 0 H GLN A 76 -18.991 -13.580 -8.708 1.00 0.00 H new ATOM 0 HA GLN A 76 -16.857 -15.538 -9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -18.828 -13.969 -10.915 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -17.350 -14.558 -11.649 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -18.962 -16.225 -12.092 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -17.979 -16.879 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -19.083 -17.869 -9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -20.721 -17.460 -8.714 1.00 0.00 H new ATOM 1137 N SER A 77 -15.278 -13.577 -8.710 1.00 0.00 N ATOM 1138 CA SER A 77 -14.185 -12.612 -8.706 1.00 0.00 C ATOM 1139 C SER A 77 -13.115 -13.004 -7.691 1.00 0.00 C ATOM 1140 O SER A 77 -13.342 -12.950 -6.483 1.00 0.00 O ATOM 1141 CB SER A 77 -14.714 -11.212 -8.389 1.00 0.00 C ATOM 1142 OG SER A 77 -15.800 -11.271 -7.480 1.00 0.00 O ATOM 0 H SER A 77 -15.221 -14.281 -7.974 1.00 0.00 H new ATOM 0 HA SER A 77 -13.735 -12.608 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.914 -10.605 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.032 -10.723 -9.310 1.00 0.00 H new ATOM 0 HG SER A 77 -16.119 -10.364 -7.292 1.00 0.00 H new ATOM 1148 N SER A 78 -11.947 -13.396 -8.191 1.00 0.00 N ATOM 1149 CA SER A 78 -10.843 -13.798 -7.327 1.00 0.00 C ATOM 1150 C SER A 78 -10.225 -12.591 -6.631 1.00 0.00 C ATOM 1151 O SER A 78 -10.832 -11.522 -6.562 1.00 0.00 O ATOM 1152 CB SER A 78 -9.776 -14.536 -8.138 1.00 0.00 C ATOM 1153 OG SER A 78 -8.967 -13.626 -8.864 1.00 0.00 O ATOM 0 H SER A 78 -11.741 -13.444 -9.189 1.00 0.00 H new ATOM 0 HA SER A 78 -11.239 -14.468 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.152 -15.129 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.255 -15.232 -8.827 1.00 0.00 H new ATOM 0 HG SER A 78 -8.292 -14.122 -9.373 1.00 0.00 H new ATOM 1159 N GLU A 79 -9.014 -12.770 -6.115 1.00 0.00 N ATOM 1160 CA GLU A 79 -8.312 -11.697 -5.420 1.00 0.00 C ATOM 1161 C GLU A 79 -7.794 -10.654 -6.403 1.00 0.00 C ATOM 1162 O GLU A 79 -6.586 -10.478 -6.559 1.00 0.00 O ATOM 1163 CB GLU A 79 -7.149 -12.267 -4.606 1.00 0.00 C ATOM 1164 CG GLU A 79 -7.580 -13.267 -3.546 1.00 0.00 C ATOM 1165 CD GLU A 79 -7.271 -14.700 -3.933 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -7.790 -15.159 -4.972 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -6.509 -15.362 -3.198 1.00 0.00 O ATOM 0 H GLU A 79 -8.498 -13.648 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.019 -11.213 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.445 -12.749 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.617 -11.446 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.079 -13.033 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.651 -13.165 -3.371 1.00 0.00 H new ATOM 1174 N GLY A 80 -8.718 -9.961 -7.063 1.00 0.00 N ATOM 1175 CA GLY A 80 -8.336 -8.939 -8.020 1.00 0.00 C ATOM 1176 C GLY A 80 -7.761 -7.706 -7.351 1.00 0.00 C ATOM 1177 O GLY A 80 -6.561 -7.446 -7.438 1.00 0.00 O ATOM 0 H GLY A 80 -9.724 -10.089 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.601 -9.350 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.207 -8.655 -8.611 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.619 -6.948 -6.677 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.190 -5.740 -5.982 1.00 0.00 C ATOM 1183 C LEU A 81 -7.074 -6.053 -4.992 1.00 0.00 C ATOM 1184 O LEU A 81 -6.110 -5.298 -4.868 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.373 -5.102 -5.252 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.013 -3.948 -4.314 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.839 -2.658 -5.099 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.077 -3.782 -3.240 1.00 0.00 C ATOM 0 H LEU A 81 -9.616 -7.149 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.808 -5.038 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.084 -4.738 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.882 -5.874 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.067 -4.183 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.583 -1.848 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.040 -2.782 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.769 -2.418 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.804 -2.957 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.038 -3.570 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.153 -4.700 -2.658 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.212 -7.174 -4.292 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.216 -7.592 -3.313 1.00 0.00 C ATOM 1202 C VAL A 82 -4.966 -8.130 -4.001 1.00 0.00 C ATOM 1203 O VAL A 82 -3.850 -7.950 -3.514 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.776 -8.671 -2.368 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.729 -9.079 -1.342 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.041 -8.176 -1.685 1.00 0.00 C ATOM 0 H VAL A 82 -8.004 -7.809 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.955 -6.710 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.031 -9.550 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.143 -9.842 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.854 -9.478 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.439 -8.209 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.423 -8.951 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.815 -7.281 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.793 -7.941 -2.438 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.160 -8.786 -5.141 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.040 -9.332 -5.882 1.00 0.00 C ATOM 1218 C GLY A 83 -3.177 -8.250 -6.503 1.00 0.00 C ATOM 1219 O GLY A 83 -1.968 -8.425 -6.661 1.00 0.00 O ATOM 0 H GLY A 83 -6.074 -8.949 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.430 -9.942 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.413 -9.991 -6.666 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.799 -7.129 -6.852 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.082 -6.012 -7.455 1.00 0.00 C ATOM 1225 C ALA A 84 -1.971 -5.514 -6.536 1.00 0.00 C ATOM 1226 O ALA A 84 -0.991 -4.924 -6.993 1.00 0.00 O ATOM 1227 CB ALA A 84 -4.044 -4.882 -7.786 1.00 0.00 C ATOM 0 H ALA A 84 -4.799 -6.970 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.623 -6.363 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.494 -4.055 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.798 -5.240 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.531 -4.540 -6.873 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.130 -5.756 -5.240 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.140 -5.334 -4.255 1.00 0.00 C ATOM 1235 C LEU A 85 -0.011 -6.353 -4.151 1.00 0.00 C ATOM 1236 O LEU A 85 1.165 -5.990 -4.116 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.799 -5.149 -2.888 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.386 -3.882 -2.135 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.159 -3.764 -0.831 1.00 0.00 C ATOM 1240 CD2 LEU A 85 0.112 -3.881 -1.873 1.00 0.00 C ATOM 0 H LEU A 85 -2.935 -6.242 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.720 -4.383 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.881 -5.137 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.564 -6.014 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.624 -3.018 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.854 -2.858 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.227 -3.718 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.951 -4.632 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.387 -2.973 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.377 -4.751 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.647 -3.918 -2.822 1.00 0.00 H new ATOM 1252 N MET A 86 -0.377 -7.628 -4.103 1.00 0.00 N ATOM 1253 CA MET A 86 0.603 -8.703 -4.001 1.00 0.00 C ATOM 1254 C MET A 86 1.670 -8.575 -5.082 1.00 0.00 C ATOM 1255 O MET A 86 2.790 -9.062 -4.924 1.00 0.00 O ATOM 1256 CB MET A 86 -0.091 -10.062 -4.110 1.00 0.00 C ATOM 1257 CG MET A 86 -1.242 -10.236 -3.133 1.00 0.00 C ATOM 1258 SD MET A 86 -1.972 -11.883 -3.205 1.00 0.00 S ATOM 1259 CE MET A 86 -3.714 -11.479 -3.285 1.00 0.00 C ATOM 0 H MET A 86 -1.347 -7.943 -4.133 1.00 0.00 H new ATOM 0 HA MET A 86 1.090 -8.626 -3.029 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.465 -10.189 -5.126 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.642 -10.850 -3.939 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.886 -10.045 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.010 -9.493 -3.347 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.216 -11.855 -2.394 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.834 -10.397 -3.340 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.154 -11.939 -4.170 1.00 0.00 H new ATOM 1269 N HIS A 87 1.316 -7.920 -6.183 1.00 0.00 N ATOM 1270 CA HIS A 87 2.241 -7.735 -7.293 1.00 0.00 C ATOM 1271 C HIS A 87 3.126 -6.512 -7.071 1.00 0.00 C ATOM 1272 O HIS A 87 4.278 -6.479 -7.507 1.00 0.00 O ATOM 1273 CB HIS A 87 1.470 -7.590 -8.606 1.00 0.00 C ATOM 1274 CG HIS A 87 2.330 -7.733 -9.822 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.871 -7.498 -11.102 1.00 0.00 N ATOM 1276 CD2 HIS A 87 3.629 -8.090 -9.949 1.00 0.00 C ATOM 1277 CE1 HIS A 87 2.853 -7.705 -11.963 1.00 0.00 C ATOM 1278 NE2 HIS A 87 3.928 -8.066 -11.289 1.00 0.00 N ATOM 0 H HIS A 87 0.394 -7.509 -6.329 1.00 0.00 H new ATOM 0 HA HIS A 87 2.881 -8.616 -7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.680 -8.340 -8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.984 -6.615 -8.627 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.305 -8.346 -9.146 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.786 -7.597 -13.036 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.835 -8.291 -11.697 1.00 0.00 H new ATOM 1287 N VAL A 88 2.582 -5.507 -6.392 1.00 0.00 N ATOM 1288 CA VAL A 88 3.320 -4.280 -6.116 1.00 0.00 C ATOM 1289 C VAL A 88 4.383 -4.503 -5.045 1.00 0.00 C ATOM 1290 O VAL A 88 5.380 -3.784 -4.987 1.00 0.00 O ATOM 1291 CB VAL A 88 2.381 -3.149 -5.660 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.139 -1.834 -5.556 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.199 -3.020 -6.610 1.00 0.00 C ATOM 0 H VAL A 88 1.631 -5.519 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 88 3.803 -3.989 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 88 1.996 -3.398 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.459 -1.046 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.947 -1.936 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.555 -1.576 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.546 -2.215 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.561 -2.795 -7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.642 -3.957 -6.627 1.00 0.00 H new ATOM 1303 N MET A 89 4.159 -5.497 -4.192 1.00 0.00 N ATOM 1304 CA MET A 89 5.097 -5.810 -3.121 1.00 0.00 C ATOM 1305 C MET A 89 6.247 -6.669 -3.638 1.00 0.00 C ATOM 1306 O MET A 89 7.339 -6.668 -3.072 1.00 0.00 O ATOM 1307 CB MET A 89 4.379 -6.531 -1.979 1.00 0.00 C ATOM 1308 CG MET A 89 3.177 -5.772 -1.438 1.00 0.00 C ATOM 1309 SD MET A 89 3.529 -4.030 -1.130 1.00 0.00 S ATOM 1310 CE MET A 89 4.578 -4.148 0.317 1.00 0.00 C ATOM 0 H MET A 89 3.336 -6.099 -4.222 1.00 0.00 H new ATOM 0 HA MET A 89 5.508 -4.872 -2.747 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.052 -7.511 -2.328 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.086 -6.701 -1.167 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.354 -5.851 -2.148 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.845 -6.240 -0.511 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.391 -3.427 0.237 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.991 -3.935 1.210 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.991 -5.154 0.386 1.00 0.00 H new ATOM 1320 N GLN A 90 5.993 -7.399 -4.720 1.00 0.00 N ATOM 1321 CA GLN A 90 7.007 -8.262 -5.313 1.00 0.00 C ATOM 1322 C GLN A 90 8.108 -7.438 -5.970 1.00 0.00 C ATOM 1323 O GLN A 90 9.286 -7.788 -5.902 1.00 0.00 O ATOM 1324 CB GLN A 90 6.369 -9.196 -6.344 1.00 0.00 C ATOM 1325 CG GLN A 90 5.683 -10.405 -5.728 1.00 0.00 C ATOM 1326 CD GLN A 90 6.655 -11.343 -5.041 1.00 0.00 C ATOM 1327 OE1 GLN A 90 7.016 -11.141 -3.881 1.00 0.00 O ATOM 1328 NE2 GLN A 90 7.082 -12.378 -5.754 1.00 0.00 N ATOM 0 H GLN A 90 5.095 -7.410 -5.203 1.00 0.00 H new ATOM 0 HA GLN A 90 7.452 -8.858 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.641 -8.634 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.138 -9.539 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.939 -10.067 -5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.148 -10.949 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.756 -12.506 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.736 -13.045 -5.344 1.00 0.00 H new ATOM 1337 N LYS A 91 7.716 -6.340 -6.608 1.00 0.00 N ATOM 1338 CA LYS A 91 8.667 -5.464 -7.280 1.00 0.00 C ATOM 1339 C LYS A 91 9.792 -5.053 -6.336 1.00 0.00 C ATOM 1340 O LYS A 91 10.966 -5.089 -6.702 1.00 0.00 O ATOM 1341 CB LYS A 91 7.955 -4.219 -7.815 1.00 0.00 C ATOM 1342 CG LYS A 91 7.174 -4.468 -9.094 1.00 0.00 C ATOM 1343 CD LYS A 91 8.074 -4.983 -10.207 1.00 0.00 C ATOM 1344 CE LYS A 91 7.832 -4.237 -11.508 1.00 0.00 C ATOM 1345 NZ LYS A 91 8.241 -5.040 -12.693 1.00 0.00 N ATOM 0 H LYS A 91 6.745 -6.036 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 91 9.101 -6.014 -8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.275 -3.843 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.693 -3.438 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.381 -5.191 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.692 -3.544 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.118 -4.874 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.895 -6.048 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.775 -3.982 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.386 -3.298 -11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.060 -4.496 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.255 -5.262 -12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.694 -5.924 -12.719 1.00 0.00 H new ATOM 1359 N ARG A 92 9.425 -4.660 -5.121 1.00 0.00 N ATOM 1360 CA ARG A 92 10.404 -4.242 -4.125 1.00 0.00 C ATOM 1361 C ARG A 92 11.454 -5.325 -3.902 1.00 0.00 C ATOM 1362 O ARG A 92 12.653 -5.050 -3.890 1.00 0.00 O ATOM 1363 CB ARG A 92 9.707 -3.914 -2.803 1.00 0.00 C ATOM 1364 CG ARG A 92 10.361 -2.776 -2.037 1.00 0.00 C ATOM 1365 CD ARG A 92 11.612 -3.239 -1.309 1.00 0.00 C ATOM 1366 NE ARG A 92 11.961 -2.352 -0.205 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.915 -2.619 0.681 1.00 0.00 C ATOM 1368 NH1 ARG A 92 13.611 -3.743 0.591 1.00 0.00 N ATOM 1369 NH2 ARG A 92 13.174 -1.761 1.659 1.00 0.00 N ATOM 0 H ARG A 92 8.457 -4.622 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 92 10.905 -3.349 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.667 -3.655 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.698 -4.805 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.617 -1.972 -2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.652 -2.365 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.457 -4.248 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.444 -3.288 -2.012 1.00 0.00 H new ATOM 0 HE ARG A 92 11.444 -1.478 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.415 -4.405 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.343 -3.946 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.641 -0.895 1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.907 -1.968 2.338 1.00 0.00 H new ATOM 1383 N SER A 93 10.992 -6.559 -3.725 1.00 0.00 N ATOM 1384 CA SER A 93 11.888 -7.687 -3.497 1.00 0.00 C ATOM 1385 C SER A 93 12.995 -7.733 -4.545 1.00 0.00 C ATOM 1386 O SER A 93 14.180 -7.737 -4.210 1.00 0.00 O ATOM 1387 CB SER A 93 11.099 -8.998 -3.517 1.00 0.00 C ATOM 1388 OG SER A 93 11.937 -10.092 -3.844 1.00 0.00 O ATOM 0 H SER A 93 10.002 -6.803 -3.735 1.00 0.00 H new ATOM 0 HA SER A 93 12.350 -7.557 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.641 -9.165 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.288 -8.927 -4.242 1.00 0.00 H new ATOM 0 HG SER A 93 11.410 -10.918 -3.849 1.00 0.00 H new ATOM 1394 N ARG A 94 12.602 -7.773 -5.814 1.00 0.00 N ATOM 1395 CA ARG A 94 13.564 -7.831 -6.910 1.00 0.00 C ATOM 1396 C ARG A 94 14.215 -6.470 -7.141 1.00 0.00 C ATOM 1397 O ARG A 94 15.441 -6.352 -7.148 1.00 0.00 O ATOM 1398 CB ARG A 94 12.877 -8.303 -8.194 1.00 0.00 C ATOM 1399 CG ARG A 94 13.830 -8.927 -9.200 1.00 0.00 C ATOM 1400 CD ARG A 94 13.787 -10.445 -9.144 1.00 0.00 C ATOM 1401 NE ARG A 94 12.440 -10.963 -9.370 1.00 0.00 N ATOM 1402 CZ ARG A 94 11.893 -11.091 -10.573 1.00 0.00 C ATOM 1403 NH1 ARG A 94 12.575 -10.739 -11.655 1.00 0.00 N ATOM 1404 NH2 ARG A 94 10.662 -11.569 -10.697 1.00 0.00 N ATOM 0 H ARG A 94 11.626 -7.766 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 94 14.343 -8.543 -6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.106 -9.029 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.374 -7.455 -8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.571 -8.592 -10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 94 14.845 -8.584 -9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.464 -10.855 -9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.147 -10.782 -8.172 1.00 0.00 H new ATOM 0 HE ARG A 94 11.889 -11.242 -8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.521 -10.369 -11.564 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.153 -10.838 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.134 -11.839 -9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.244 -11.667 -11.622 1.00 0.00 H new ATOM 1418 N ALA A 95 13.388 -5.449 -7.335 1.00 0.00 N ATOM 1419 CA ALA A 95 13.883 -4.098 -7.573 1.00 0.00 C ATOM 1420 C ALA A 95 14.816 -3.645 -6.453 1.00 0.00 C ATOM 1421 O ALA A 95 14.363 -3.246 -5.380 1.00 0.00 O ATOM 1422 CB ALA A 95 12.720 -3.129 -7.719 1.00 0.00 C ATOM 0 H ALA A 95 12.371 -5.531 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 95 14.454 -4.107 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.104 -2.124 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 95 12.097 -3.433 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.125 -3.134 -6.806 1.00 0.00 H new ATOM 1428 N ILE A 96 16.117 -3.705 -6.713 1.00 0.00 N ATOM 1429 CA ILE A 96 17.114 -3.297 -5.729 1.00 0.00 C ATOM 1430 C ILE A 96 17.182 -1.778 -5.615 1.00 0.00 C ATOM 1431 O ILE A 96 17.465 -1.239 -4.545 1.00 0.00 O ATOM 1432 CB ILE A 96 18.511 -3.836 -6.086 1.00 0.00 C ATOM 1433 CG1 ILE A 96 18.440 -5.333 -6.401 1.00 0.00 C ATOM 1434 CG2 ILE A 96 19.488 -3.574 -4.951 1.00 0.00 C ATOM 1435 CD1 ILE A 96 18.126 -6.189 -5.194 1.00 0.00 C ATOM 0 H ILE A 96 16.507 -4.032 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 96 16.805 -3.718 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 96 18.868 -3.314 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.679 -5.500 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 96 19.392 -5.652 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 96 20.471 -3.961 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 96 19.558 -2.501 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 96 19.137 -4.071 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 96 18.091 -7.237 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 96 18.900 -6.051 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.160 -5.896 -4.782 1.00 0.00 H new ATOM 1447 N HIS A 97 16.920 -1.094 -6.723 1.00 0.00 N ATOM 1448 CA HIS A 97 16.947 0.363 -6.748 1.00 0.00 C ATOM 1449 C HIS A 97 15.669 0.919 -7.367 1.00 0.00 C ATOM 1450 O HIS A 97 15.389 0.694 -8.545 1.00 0.00 O ATOM 1451 CB HIS A 97 18.163 0.858 -7.532 1.00 0.00 C ATOM 1452 CG HIS A 97 19.456 0.258 -7.075 1.00 0.00 C ATOM 1453 ND1 HIS A 97 20.273 -0.488 -7.899 1.00 0.00 N ATOM 1454 CD2 HIS A 97 20.075 0.297 -5.871 1.00 0.00 C ATOM 1455 CE1 HIS A 97 21.337 -0.882 -7.222 1.00 0.00 C ATOM 1456 NE2 HIS A 97 21.240 -0.419 -5.990 1.00 0.00 N ATOM 0 H HIS A 97 16.686 -1.526 -7.617 1.00 0.00 H new ATOM 0 HA HIS A 97 17.017 0.718 -5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 97 18.020 0.631 -8.589 1.00 0.00 H new ATOM 0 HB3 HIS A 97 18.224 1.943 -7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 97 19.719 0.798 -4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 97 22.148 -1.481 -7.610 1.00 0.00 H new ATOM 0 HE2 HIS A 97 21.921 -0.569 -5.246 1.00 0.00 H new ATOM 1465 N SER A 98 14.894 1.643 -6.566 1.00 0.00 N ATOM 1466 CA SER A 98 13.643 2.226 -7.033 1.00 0.00 C ATOM 1467 C SER A 98 13.903 3.365 -8.014 1.00 0.00 C ATOM 1468 O SER A 98 13.160 3.548 -8.978 1.00 0.00 O ATOM 1469 CB SER A 98 12.820 2.736 -5.849 1.00 0.00 C ATOM 1470 OG SER A 98 11.737 1.866 -5.567 1.00 0.00 O ATOM 0 H SER A 98 15.111 1.840 -5.589 1.00 0.00 H new ATOM 0 HA SER A 98 13.081 1.448 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.458 2.824 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.441 3.734 -6.069 1.00 0.00 H new ATOM 0 HG SER A 98 11.228 2.214 -4.805 1.00 0.00 H new ATOM 1476 N SER A 99 14.962 4.127 -7.761 1.00 0.00 N ATOM 1477 CA SER A 99 15.320 5.248 -8.622 1.00 0.00 C ATOM 1478 C SER A 99 15.783 4.760 -9.990 1.00 0.00 C ATOM 1479 O SER A 99 15.187 5.095 -11.014 1.00 0.00 O ATOM 1480 CB SER A 99 16.419 6.088 -7.967 1.00 0.00 C ATOM 1481 OG SER A 99 15.901 7.311 -7.475 1.00 0.00 O ATOM 0 H SER A 99 15.587 3.989 -6.967 1.00 0.00 H new ATOM 0 HA SER A 99 14.432 5.865 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.872 5.526 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.208 6.289 -8.692 1.00 0.00 H new ATOM 0 HG SER A 99 16.561 8.023 -7.609 1.00 0.00 H new ATOM 1487 N ASP A 100 16.851 3.968 -10.001 1.00 0.00 N ATOM 1488 CA ASP A 100 17.393 3.434 -11.245 1.00 0.00 C ATOM 1489 C ASP A 100 18.024 4.538 -12.086 1.00 0.00 C ATOM 1490 O ASP A 100 19.239 4.559 -12.291 1.00 0.00 O ATOM 1491 CB ASP A 100 16.292 2.735 -12.046 1.00 0.00 C ATOM 1492 CG ASP A 100 16.747 1.411 -12.624 1.00 0.00 C ATOM 1493 OD1 ASP A 100 17.683 0.806 -12.058 1.00 0.00 O ATOM 1494 OD2 ASP A 100 16.169 0.976 -13.642 1.00 0.00 O ATOM 0 H ASP A 100 17.358 3.682 -9.163 1.00 0.00 H new ATOM 0 HA ASP A 100 18.167 2.710 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.428 2.569 -11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 100 15.965 3.388 -12.855 1.00 0.00 H new ATOM 1499 N GLU A 101 17.194 5.455 -12.571 1.00 0.00 N ATOM 1500 CA GLU A 101 17.671 6.563 -13.389 1.00 0.00 C ATOM 1501 C GLU A 101 16.543 7.543 -13.690 1.00 0.00 C ATOM 1502 O GLU A 101 15.697 7.288 -14.548 1.00 0.00 O ATOM 1503 CB GLU A 101 18.268 6.039 -14.698 1.00 0.00 C ATOM 1504 CG GLU A 101 17.511 4.856 -15.282 1.00 0.00 C ATOM 1505 CD GLU A 101 18.115 4.361 -16.581 1.00 0.00 C ATOM 1506 OE1 GLU A 101 19.294 3.950 -16.572 1.00 0.00 O ATOM 1507 OE2 GLU A 101 17.407 4.386 -17.612 1.00 0.00 O ATOM 0 H GLU A 101 16.187 5.452 -12.411 1.00 0.00 H new ATOM 0 HA GLU A 101 18.444 7.088 -12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.283 6.847 -15.430 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.304 5.747 -14.524 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.501 4.042 -14.557 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.473 5.142 -15.454 1.00 0.00 H new ATOM 1514 N GLY A 102 16.533 8.665 -12.977 1.00 0.00 N ATOM 1515 CA GLY A 102 15.503 9.666 -13.181 1.00 0.00 C ATOM 1516 C GLY A 102 14.688 9.921 -11.928 1.00 0.00 C ATOM 1517 O GLY A 102 14.408 8.998 -11.164 1.00 0.00 O ATOM 0 H GLY A 102 17.221 8.899 -12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 102 15.965 10.598 -13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.840 9.342 -13.983 1.00 0.00 H new ATOM 1521 N GLU A 103 14.307 11.177 -11.718 1.00 0.00 N ATOM 1522 CA GLU A 103 13.519 11.550 -10.549 1.00 0.00 C ATOM 1523 C GLU A 103 13.229 13.047 -10.540 1.00 0.00 C ATOM 1524 O GLU A 103 14.060 13.847 -10.110 1.00 0.00 O ATOM 1525 CB GLU A 103 14.253 11.154 -9.266 1.00 0.00 C ATOM 1526 CG GLU A 103 15.715 11.571 -9.248 1.00 0.00 C ATOM 1527 CD GLU A 103 16.618 10.504 -8.660 1.00 0.00 C ATOM 1528 OE1 GLU A 103 16.573 10.301 -7.428 1.00 0.00 O ATOM 1529 OE2 GLU A 103 17.369 9.871 -9.431 1.00 0.00 O ATOM 0 H GLU A 103 14.531 11.953 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 103 12.570 11.016 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.745 11.604 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.191 10.073 -9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.038 11.795 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.820 12.489 -8.671 1.00 0.00 H new ATOM 1536 N ASP A 104 12.046 13.418 -11.018 1.00 0.00 N ATOM 1537 CA ASP A 104 11.647 14.820 -11.066 1.00 0.00 C ATOM 1538 C ASP A 104 10.425 15.069 -10.187 1.00 0.00 C ATOM 1539 O ASP A 104 9.499 14.258 -10.150 1.00 0.00 O ATOM 1540 CB ASP A 104 11.346 15.237 -12.507 1.00 0.00 C ATOM 1541 CG ASP A 104 10.388 14.285 -13.195 1.00 0.00 C ATOM 1542 OD1 ASP A 104 10.670 13.068 -13.213 1.00 0.00 O ATOM 1543 OD2 ASP A 104 9.355 14.757 -13.717 1.00 0.00 O ATOM 0 H ASP A 104 11.347 12.768 -11.377 1.00 0.00 H new ATOM 0 HA ASP A 104 12.474 15.420 -10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.922 16.241 -12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.277 15.282 -13.072 1.00 0.00 H new ATOM 1548 N GLN A 105 10.429 16.195 -9.482 1.00 0.00 N ATOM 1549 CA GLN A 105 9.320 16.550 -8.604 1.00 0.00 C ATOM 1550 C GLN A 105 8.851 17.977 -8.867 1.00 0.00 C ATOM 1551 O GLN A 105 9.587 18.790 -9.427 1.00 0.00 O ATOM 1552 CB GLN A 105 9.737 16.404 -7.139 1.00 0.00 C ATOM 1553 CG GLN A 105 9.688 14.972 -6.634 1.00 0.00 C ATOM 1554 CD GLN A 105 10.265 14.826 -5.239 1.00 0.00 C ATOM 1555 OE1 GLN A 105 11.426 15.157 -4.997 1.00 0.00 O ATOM 1556 NE2 GLN A 105 9.453 14.332 -4.313 1.00 0.00 N ATOM 0 H GLN A 105 11.187 16.877 -9.501 1.00 0.00 H new ATOM 0 HA GLN A 105 8.494 15.870 -8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 105 10.750 16.789 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 105 9.085 17.021 -6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.654 14.626 -6.634 1.00 0.00 H new ATOM 0 HG3 GLN A 105 10.239 14.329 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.498 14.071 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.784 14.213 -3.355 1.00 0.00 H new ATOM 1565 N ALA A 106 7.621 18.275 -8.460 1.00 0.00 N ATOM 1566 CA ALA A 106 7.055 19.605 -8.652 1.00 0.00 C ATOM 1567 C ALA A 106 7.877 20.659 -7.919 1.00 0.00 C ATOM 1568 O ALA A 106 7.713 20.863 -6.716 1.00 0.00 O ATOM 1569 CB ALA A 106 5.609 19.637 -8.183 1.00 0.00 C ATOM 0 H ALA A 106 6.998 17.614 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 106 7.082 19.836 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.200 20.636 -8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.025 18.916 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.564 19.381 -7.124 1.00 0.00 H new ATOM 1575 N GLY A 107 8.763 21.327 -8.651 1.00 0.00 N ATOM 1576 CA GLY A 107 9.599 22.350 -8.051 1.00 0.00 C ATOM 1577 C GLY A 107 9.152 23.752 -8.416 1.00 0.00 C ATOM 1578 O GLY A 107 8.346 24.333 -7.659 1.00 0.00 O ATOM 1579 OXT GLY A 107 9.611 24.270 -9.456 1.00 0.00 O ATOM 0 H GLY A 107 8.917 21.178 -9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.584 22.238 -6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 107 10.631 22.206 -8.372 1.00 0.00 H new TER 1583 GLY A 107 HETATM 1584 C0 WSK A 108 -1.360 5.394 0.775 1.00 20.00 C HETATM 1585 N0 WSK A 108 -4.630 7.683 -0.732 1.00 20.00 N HETATM 1586 O0 WSK A 108 -3.209 9.706 -2.812 1.00 20.00 O HETATM 1587 C1 WSK A 108 -1.266 5.773 -0.654 1.00 20.00 C HETATM 1588 N1 WSK A 108 -5.039 10.328 -4.596 1.00 20.00 N HETATM 1589 C2 WSK A 108 -2.317 6.537 -1.292 1.00 20.00 C HETATM 1590 C3 WSK A 108 -3.474 6.946 -0.476 1.00 20.00 C HETATM 1591 C4 WSK A 108 -3.546 6.575 0.934 1.00 20.00 C HETATM 1592 C5 WSK A 108 -2.484 5.780 1.558 1.00 20.00 C HETATM 1593 C6 WSK A 108 -4.757 7.108 1.474 1.00 20.00 C HETATM 1594 C7 WSK A 108 -5.449 7.814 0.397 1.00 20.00 C HETATM 1595 C8 WSK A 108 -6.743 8.473 0.654 1.00 20.00 C HETATM 1596 C9 WSK A 108 -7.293 8.401 1.985 1.00 20.00 C HETATM 1597 C10 WSK A 108 -6.593 7.692 3.070 1.00 20.00 C HETATM 1598 C11 WSK A 108 -5.327 7.039 2.830 1.00 20.00 C HETATM 1599 C12 WSK A 108 -4.973 8.248 -2.054 1.00 20.00 C HETATM 1600 C13 WSK A 108 -4.530 9.667 -2.154 1.00 20.00 C HETATM 1601 C14 WSK A 108 -5.483 10.450 -3.211 1.00 20.00 C HETATM 1602 C15 WSK A 108 -6.150 10.204 -5.535 1.00 20.00 C HETATM 1603 C16 WSK A 108 -4.221 11.472 -4.985 1.00 20.00 C HETATM 1604 BR1 WSK A 108 -7.365 7.628 4.794 1.00 20.00 BR HETATM 1605 BR2 WSK A 108 -0.017 4.361 1.626 1.00 20.00 BR HETATM 0 H9 WSK A 108 -4.501 7.659 -2.840 1.00 20.00 H new HETATM 0 H8 WSK A 108 -6.050 8.186 -2.213 1.00 20.00 H new HETATM 0 H6 WSK A 108 -4.808 6.510 3.630 1.00 20.00 H new HETATM 0 H5 WSK A 108 -8.249 8.882 2.193 1.00 20.00 H new HETATM 0 H4 WSK A 108 -7.270 9.001 -0.141 1.00 20.00 H new HETATM 0 H3 WSK A 108 -2.554 5.489 2.606 1.00 20.00 H new HETATM 0 H2 WSK A 108 -2.254 6.803 -2.347 1.00 20.00 H new HETATM 0 H19 WSK A 108 -6.734 9.316 -5.292 1.00 20.00 H new HETATM 0 H18 WSK A 108 -6.786 11.087 -5.465 1.00 20.00 H new HETATM 0 H17 WSK A 108 -5.761 10.117 -6.549 1.00 20.00 H new HETATM 0 H16 WSK A 108 -4.804 12.387 -4.884 1.00 20.00 H new HETATM 0 H15 WSK A 108 -3.344 11.528 -4.340 1.00 20.00 H new HETATM 0 H14 WSK A 108 -3.903 11.356 -6.021 1.00 20.00 H new HETATM 0 H13 WSK A 108 -2.702 10.478 -2.483 1.00 20.00 H new HETATM 0 H12 WSK A 108 -5.521 11.505 -2.941 1.00 20.00 H new HETATM 0 H11 WSK A 108 -6.499 10.063 -3.128 1.00 20.00 H new HETATM 0 H10 WSK A 108 -4.540 10.099 -1.153 1.00 20.00 H new HETATM 0 H1 WSK A 108 -0.393 5.472 -1.233 1.00 20.00 H new