USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot -169:sc= 0.187 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -4.34! C(o=-4.1!,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.0217) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 54:sc= 0.355 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -62:sc= -0.661 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -152:sc= -0.185 (180deg=-0.788) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= -5.51! (180deg=-6.33!) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -0.133 (180deg=-0.59) USER MOD Single : A 20 THR OG1 : rot -116:sc= -0.145 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.345 K(o=-0.34,f=-4.1!) USER MOD Single : A 27 CYS SG : rot 92:sc= -2.44 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.319 USER MOD Single : A 34 CYS SG : rot 83:sc= -2.66 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.917 K(o=-0.92,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 35:sc= 0.762 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.486 12.202 -9.331 1.00 0.00 N ATOM 2 CA GLY A 1 14.696 13.636 -9.242 1.00 0.00 C ATOM 3 C GLY A 1 13.492 14.364 -8.677 1.00 0.00 C ATOM 4 O GLY A 1 13.110 15.423 -9.173 1.00 0.00 O ATOM 0 H1 GLY A 1 15.302 11.760 -9.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.380 11.807 -8.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.625 12.011 -9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.565 13.835 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.922 14.029 -10.233 1.00 0.00 H new ATOM 8 N SER A 2 12.893 13.794 -7.636 1.00 0.00 N ATOM 9 CA SER A 2 11.722 14.393 -7.006 1.00 0.00 C ATOM 10 C SER A 2 12.135 15.414 -5.950 1.00 0.00 C ATOM 11 O SER A 2 12.970 15.131 -5.091 1.00 0.00 O ATOM 12 CB SER A 2 10.848 13.310 -6.371 1.00 0.00 C ATOM 13 OG SER A 2 10.451 12.346 -7.331 1.00 0.00 O ATOM 0 H SER A 2 13.199 12.919 -7.211 1.00 0.00 H new ATOM 0 HA SER A 2 11.148 14.907 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.397 12.821 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.965 13.767 -5.923 1.00 0.00 H new ATOM 0 HG SER A 2 9.895 11.664 -6.899 1.00 0.00 H new ATOM 19 N SER A 3 11.545 16.602 -6.022 1.00 0.00 N ATOM 20 CA SER A 3 11.853 17.667 -5.075 1.00 0.00 C ATOM 21 C SER A 3 10.738 17.819 -4.045 1.00 0.00 C ATOM 22 O SER A 3 9.859 18.668 -4.186 1.00 0.00 O ATOM 23 CB SER A 3 12.064 18.990 -5.814 1.00 0.00 C ATOM 24 OG SER A 3 10.972 19.274 -6.672 1.00 0.00 O ATOM 0 H SER A 3 10.851 16.852 -6.726 1.00 0.00 H new ATOM 0 HA SER A 3 12.772 17.400 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.184 19.798 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.985 18.943 -6.395 1.00 0.00 H new ATOM 0 HG SER A 3 10.137 19.245 -6.160 1.00 0.00 H new ATOM 30 N GLY A 4 10.781 16.988 -3.008 1.00 0.00 N ATOM 31 CA GLY A 4 9.770 17.045 -1.969 1.00 0.00 C ATOM 32 C GLY A 4 10.342 16.792 -0.588 1.00 0.00 C ATOM 33 O GLY A 4 10.262 17.651 0.290 1.00 0.00 O ATOM 0 H GLY A 4 11.498 16.276 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.290 18.024 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.996 16.307 -2.179 1.00 0.00 H new ATOM 37 N SER A 5 10.920 15.611 -0.396 1.00 0.00 N ATOM 38 CA SER A 5 11.504 15.246 0.890 1.00 0.00 C ATOM 39 C SER A 5 12.828 14.514 0.697 1.00 0.00 C ATOM 40 O SER A 5 12.932 13.600 -0.120 1.00 0.00 O ATOM 41 CB SER A 5 10.534 14.368 1.683 1.00 0.00 C ATOM 42 OG SER A 5 9.565 15.155 2.354 1.00 0.00 O ATOM 0 H SER A 5 10.997 14.890 -1.114 1.00 0.00 H new ATOM 0 HA SER A 5 11.694 16.163 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.037 13.670 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.088 13.772 2.408 1.00 0.00 H new ATOM 0 HG SER A 5 8.956 14.570 2.852 1.00 0.00 H new ATOM 48 N SER A 6 13.840 14.925 1.456 1.00 0.00 N ATOM 49 CA SER A 6 15.160 14.312 1.367 1.00 0.00 C ATOM 50 C SER A 6 15.205 13.004 2.152 1.00 0.00 C ATOM 51 O SER A 6 15.520 11.949 1.603 1.00 0.00 O ATOM 52 CB SER A 6 16.228 15.272 1.893 1.00 0.00 C ATOM 53 OG SER A 6 17.513 14.921 1.410 1.00 0.00 O ATOM 0 H SER A 6 13.770 15.680 2.139 1.00 0.00 H new ATOM 0 HA SER A 6 15.362 14.094 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.987 16.291 1.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.229 15.257 2.983 1.00 0.00 H new ATOM 0 HG SER A 6 18.177 15.551 1.759 1.00 0.00 H new ATOM 59 N GLY A 7 14.888 13.082 3.440 1.00 0.00 N ATOM 60 CA GLY A 7 14.899 11.899 4.280 1.00 0.00 C ATOM 61 C GLY A 7 13.906 10.851 3.819 1.00 0.00 C ATOM 62 O GLY A 7 13.873 10.494 2.641 1.00 0.00 O ATOM 0 H GLY A 7 14.624 13.944 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.901 11.469 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.671 12.184 5.307 1.00 0.00 H new ATOM 66 N SER A 8 13.095 10.355 4.748 1.00 0.00 N ATOM 67 CA SER A 8 12.100 9.338 4.431 1.00 0.00 C ATOM 68 C SER A 8 11.166 9.817 3.324 1.00 0.00 C ATOM 69 O SER A 8 10.911 11.014 3.187 1.00 0.00 O ATOM 70 CB SER A 8 11.290 8.980 5.679 1.00 0.00 C ATOM 71 OG SER A 8 12.039 8.157 6.555 1.00 0.00 O ATOM 0 H SER A 8 13.108 10.641 5.727 1.00 0.00 H new ATOM 0 HA SER A 8 12.624 8.449 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.993 9.892 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.374 8.466 5.387 1.00 0.00 H new ATOM 0 HG SER A 8 11.500 7.944 7.345 1.00 0.00 H new ATOM 77 N SER A 9 10.660 8.874 2.536 1.00 0.00 N ATOM 78 CA SER A 9 9.757 9.200 1.438 1.00 0.00 C ATOM 79 C SER A 9 8.319 9.320 1.934 1.00 0.00 C ATOM 80 O SER A 9 7.513 8.405 1.767 1.00 0.00 O ATOM 81 CB SER A 9 9.843 8.132 0.345 1.00 0.00 C ATOM 82 OG SER A 9 8.776 8.260 -0.578 1.00 0.00 O ATOM 0 H SER A 9 10.860 7.879 2.637 1.00 0.00 H new ATOM 0 HA SER A 9 10.062 10.161 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.794 8.220 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.819 7.141 0.798 1.00 0.00 H new ATOM 0 HG SER A 9 7.924 8.118 -0.115 1.00 0.00 H new ATOM 88 N LYS A 10 8.005 10.457 2.546 1.00 0.00 N ATOM 89 CA LYS A 10 6.665 10.700 3.067 1.00 0.00 C ATOM 90 C LYS A 10 5.705 11.080 1.944 1.00 0.00 C ATOM 91 O LYS A 10 4.568 10.613 1.903 1.00 0.00 O ATOM 92 CB LYS A 10 6.699 11.810 4.120 1.00 0.00 C ATOM 93 CG LYS A 10 5.384 11.987 4.860 1.00 0.00 C ATOM 94 CD LYS A 10 5.326 13.323 5.582 1.00 0.00 C ATOM 95 CE LYS A 10 4.759 14.415 4.688 1.00 0.00 C ATOM 96 NZ LYS A 10 4.594 15.701 5.421 1.00 0.00 N ATOM 0 H LYS A 10 8.660 11.225 2.693 1.00 0.00 H new ATOM 0 HA LYS A 10 6.309 9.779 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.486 11.591 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.963 12.750 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.556 11.917 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.258 11.178 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.711 13.228 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.326 13.604 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.420 14.566 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.795 14.096 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.205 16.420 4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.943 15.564 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.518 16.019 5.777 1.00 0.00 H new ATOM 110 N GLU A 11 6.173 11.929 1.034 1.00 0.00 N ATOM 111 CA GLU A 11 5.355 12.370 -0.090 1.00 0.00 C ATOM 112 C GLU A 11 4.643 11.188 -0.741 1.00 0.00 C ATOM 113 O GLU A 11 3.415 11.094 -0.708 1.00 0.00 O ATOM 114 CB GLU A 11 6.219 13.093 -1.126 1.00 0.00 C ATOM 115 CG GLU A 11 5.469 14.158 -1.908 1.00 0.00 C ATOM 116 CD GLU A 11 6.266 14.689 -3.083 1.00 0.00 C ATOM 117 OE1 GLU A 11 6.951 13.882 -3.747 1.00 0.00 O ATOM 118 OE2 GLU A 11 6.206 15.909 -3.338 1.00 0.00 O ATOM 0 H GLU A 11 7.113 12.325 1.053 1.00 0.00 H new ATOM 0 HA GLU A 11 4.602 13.061 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.067 13.555 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.624 12.360 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.528 13.743 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.218 14.983 -1.242 1.00 0.00 H new ATOM 125 N LEU A 12 5.421 10.289 -1.333 1.00 0.00 N ATOM 126 CA LEU A 12 4.866 9.112 -1.993 1.00 0.00 C ATOM 127 C LEU A 12 3.811 8.444 -1.118 1.00 0.00 C ATOM 128 O LEU A 12 2.769 8.006 -1.609 1.00 0.00 O ATOM 129 CB LEU A 12 5.979 8.115 -2.321 1.00 0.00 C ATOM 130 CG LEU A 12 6.765 8.385 -3.605 1.00 0.00 C ATOM 131 CD1 LEU A 12 5.927 8.040 -4.826 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.217 9.837 -3.658 1.00 0.00 C ATOM 0 H LEU A 12 6.438 10.352 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 12 4.391 9.435 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.680 8.096 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.539 7.120 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 12 7.651 7.750 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.502 8.239 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.654 6.985 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.023 8.649 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.775 10.011 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.345 10.491 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.855 10.051 -2.801 1.00 0.00 H new ATOM 144 N LEU A 13 4.085 8.372 0.180 1.00 0.00 N ATOM 145 CA LEU A 13 3.157 7.760 1.125 1.00 0.00 C ATOM 146 C LEU A 13 1.882 8.587 1.249 1.00 0.00 C ATOM 147 O LEU A 13 0.784 8.040 1.357 1.00 0.00 O ATOM 148 CB LEU A 13 3.819 7.612 2.496 1.00 0.00 C ATOM 149 CG LEU A 13 2.879 7.320 3.666 1.00 0.00 C ATOM 150 CD1 LEU A 13 2.689 5.821 3.838 1.00 0.00 C ATOM 151 CD2 LEU A 13 3.416 7.942 4.948 1.00 0.00 C ATOM 0 H LEU A 13 4.942 8.730 0.602 1.00 0.00 H new ATOM 0 HA LEU A 13 2.891 6.772 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.554 6.810 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.365 8.530 2.715 1.00 0.00 H new ATOM 0 HG LEU A 13 1.908 7.765 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.017 5.633 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.260 5.402 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.653 5.352 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.735 7.725 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.399 7.526 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.499 9.021 4.822 1.00 0.00 H new ATOM 163 N MET A 14 2.034 9.907 1.232 1.00 0.00 N ATOM 164 CA MET A 14 0.894 10.809 1.339 1.00 0.00 C ATOM 165 C MET A 14 0.033 10.750 0.081 1.00 0.00 C ATOM 166 O MET A 14 -1.190 10.875 0.147 1.00 0.00 O ATOM 167 CB MET A 14 1.371 12.243 1.578 1.00 0.00 C ATOM 168 CG MET A 14 2.055 12.440 2.921 1.00 0.00 C ATOM 169 SD MET A 14 0.900 12.901 4.227 1.00 0.00 S ATOM 170 CE MET A 14 0.403 14.532 3.680 1.00 0.00 C ATOM 0 H MET A 14 2.936 10.376 1.145 1.00 0.00 H new ATOM 0 HA MET A 14 0.289 10.489 2.187 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.061 12.525 0.783 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.517 12.917 1.512 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.567 11.520 3.202 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.818 13.213 2.826 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.121 15.135 4.543 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.233 15.010 3.159 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.448 14.446 3.005 1.00 0.00 H new ATOM 180 N LYS A 15 0.680 10.560 -1.064 1.00 0.00 N ATOM 181 CA LYS A 15 -0.026 10.483 -2.338 1.00 0.00 C ATOM 182 C LYS A 15 -0.771 9.159 -2.468 1.00 0.00 C ATOM 183 O LYS A 15 -1.900 9.116 -2.960 1.00 0.00 O ATOM 184 CB LYS A 15 0.958 10.643 -3.499 1.00 0.00 C ATOM 185 CG LYS A 15 1.303 12.090 -3.809 1.00 0.00 C ATOM 186 CD LYS A 15 2.030 12.218 -5.137 1.00 0.00 C ATOM 187 CE LYS A 15 3.473 11.750 -5.030 1.00 0.00 C ATOM 188 NZ LYS A 15 3.609 10.297 -5.329 1.00 0.00 N ATOM 0 H LYS A 15 1.692 10.456 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.754 11.294 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.875 10.102 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.534 10.180 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.390 12.685 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.926 12.495 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.511 11.631 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.007 13.257 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.092 12.322 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.846 11.951 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.592 10.088 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.353 9.744 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.976 10.044 -6.115 1.00 0.00 H new ATOM 202 N LEU A 16 -0.135 8.081 -2.023 1.00 0.00 N ATOM 203 CA LEU A 16 -0.739 6.754 -2.088 1.00 0.00 C ATOM 204 C LEU A 16 -1.895 6.633 -1.100 1.00 0.00 C ATOM 205 O LEU A 16 -2.972 6.147 -1.446 1.00 0.00 O ATOM 206 CB LEU A 16 0.310 5.680 -1.798 1.00 0.00 C ATOM 207 CG LEU A 16 -0.184 4.233 -1.832 1.00 0.00 C ATOM 208 CD1 LEU A 16 -0.552 3.827 -3.250 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.871 3.296 -1.263 1.00 0.00 C ATOM 0 H LEU A 16 0.799 8.099 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.130 6.608 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.118 5.784 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.737 5.874 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.078 4.160 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.901 2.794 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.343 4.479 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.324 3.916 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.502 2.271 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.783 3.372 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.085 3.573 -0.231 1.00 0.00 H new ATOM 221 N ARG A 17 -1.664 7.080 0.130 1.00 0.00 N ATOM 222 CA ARG A 17 -2.686 7.023 1.168 1.00 0.00 C ATOM 223 C ARG A 17 -4.057 7.383 0.602 1.00 0.00 C ATOM 224 O ARG A 17 -5.041 6.681 0.837 1.00 0.00 O ATOM 225 CB ARG A 17 -2.332 7.970 2.316 1.00 0.00 C ATOM 226 CG ARG A 17 -2.865 7.517 3.665 1.00 0.00 C ATOM 227 CD ARG A 17 -4.261 8.061 3.924 1.00 0.00 C ATOM 228 NE ARG A 17 -4.976 7.279 4.929 1.00 0.00 N ATOM 229 CZ ARG A 17 -6.215 7.550 5.326 1.00 0.00 C ATOM 230 NH1 ARG A 17 -6.872 8.576 4.805 1.00 0.00 N ATOM 231 NH2 ARG A 17 -6.798 6.791 6.245 1.00 0.00 N ATOM 0 H ARG A 17 -0.778 7.486 0.432 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.725 6.002 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.248 8.065 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.727 8.961 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.885 6.428 3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.191 7.851 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.191 9.097 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.828 8.061 2.993 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.499 6.482 5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.427 9.160 4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.823 8.782 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.295 6.000 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.749 6.999 6.550 1.00 0.00 H new ATOM 245 N ARG A 18 -4.113 8.482 -0.144 1.00 0.00 N ATOM 246 CA ARG A 18 -5.363 8.936 -0.742 1.00 0.00 C ATOM 247 C ARG A 18 -5.685 8.137 -2.001 1.00 0.00 C ATOM 248 O ARG A 18 -6.852 7.910 -2.324 1.00 0.00 O ATOM 249 CB ARG A 18 -5.280 10.426 -1.078 1.00 0.00 C ATOM 250 CG ARG A 18 -4.113 10.782 -1.984 1.00 0.00 C ATOM 251 CD ARG A 18 -4.031 12.281 -2.224 1.00 0.00 C ATOM 252 NE ARG A 18 -4.822 12.695 -3.380 1.00 0.00 N ATOM 253 CZ ARG A 18 -4.463 12.462 -4.637 1.00 0.00 C ATOM 254 NH1 ARG A 18 -3.332 11.822 -4.900 1.00 0.00 N ATOM 255 NH2 ARG A 18 -5.236 12.869 -5.636 1.00 0.00 N ATOM 0 H ARG A 18 -3.308 9.074 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.162 8.777 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.209 10.734 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.196 10.995 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.183 10.433 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.220 10.265 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.381 12.810 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.990 12.567 -2.376 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.698 13.190 -3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.735 11.507 -4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.059 11.645 -5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.107 13.362 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.959 12.689 -6.601 1.00 0.00 H new ATOM 269 N LYS A 19 -4.644 7.713 -2.709 1.00 0.00 N ATOM 270 CA LYS A 19 -4.815 6.938 -3.932 1.00 0.00 C ATOM 271 C LYS A 19 -5.607 5.663 -3.663 1.00 0.00 C ATOM 272 O LYS A 19 -6.456 5.266 -4.462 1.00 0.00 O ATOM 273 CB LYS A 19 -3.452 6.587 -4.533 1.00 0.00 C ATOM 274 CG LYS A 19 -3.484 6.385 -6.038 1.00 0.00 C ATOM 275 CD LYS A 19 -2.149 6.735 -6.676 1.00 0.00 C ATOM 276 CE LYS A 19 -1.978 6.048 -8.021 1.00 0.00 C ATOM 277 NZ LYS A 19 -1.925 4.566 -7.884 1.00 0.00 N ATOM 0 H LYS A 19 -3.672 7.893 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.373 7.548 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.745 7.382 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.079 5.678 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.735 5.348 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.269 7.004 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.079 7.815 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.338 6.441 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.804 6.323 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.063 6.402 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.391 4.163 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.455 4.317 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.892 4.182 -7.885 1.00 0.00 H new ATOM 291 N THR A 20 -5.326 5.025 -2.531 1.00 0.00 N ATOM 292 CA THR A 20 -6.012 3.795 -2.157 1.00 0.00 C ATOM 293 C THR A 20 -6.919 4.016 -0.951 1.00 0.00 C ATOM 294 O THR A 20 -8.073 3.590 -0.944 1.00 0.00 O ATOM 295 CB THR A 20 -5.012 2.669 -1.832 1.00 0.00 C ATOM 296 OG1 THR A 20 -4.281 2.992 -0.643 1.00 0.00 O ATOM 297 CG2 THR A 20 -4.044 2.456 -2.986 1.00 0.00 C ATOM 0 H THR A 20 -4.628 5.340 -1.857 1.00 0.00 H new ATOM 0 HA THR A 20 -6.616 3.498 -3.014 1.00 0.00 H new ATOM 0 HB THR A 20 -5.573 1.748 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.332 3.102 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.348 1.656 -2.734 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.601 2.183 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.489 3.376 -3.170 1.00 0.00 H new ATOM 305 N GLY A 21 -6.389 4.687 0.067 1.00 0.00 N ATOM 306 CA GLY A 21 -7.165 4.954 1.264 1.00 0.00 C ATOM 307 C GLY A 21 -6.596 4.266 2.489 1.00 0.00 C ATOM 308 O GLY A 21 -6.669 4.797 3.597 1.00 0.00 O ATOM 0 H GLY A 21 -5.436 5.050 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.200 6.029 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.192 4.623 1.109 1.00 0.00 H new ATOM 312 N TYR A 22 -6.031 3.081 2.291 1.00 0.00 N ATOM 313 CA TYR A 22 -5.451 2.317 3.389 1.00 0.00 C ATOM 314 C TYR A 22 -4.684 3.229 4.342 1.00 0.00 C ATOM 315 O TYR A 22 -3.989 4.150 3.913 1.00 0.00 O ATOM 316 CB TYR A 22 -4.522 1.230 2.848 1.00 0.00 C ATOM 317 CG TYR A 22 -5.250 0.104 2.148 1.00 0.00 C ATOM 318 CD1 TYR A 22 -5.946 -0.856 2.872 1.00 0.00 C ATOM 319 CD2 TYR A 22 -5.243 0.001 0.762 1.00 0.00 C ATOM 320 CE1 TYR A 22 -6.612 -1.886 2.237 1.00 0.00 C ATOM 321 CE2 TYR A 22 -5.907 -1.025 0.119 1.00 0.00 C ATOM 322 CZ TYR A 22 -6.590 -1.966 0.861 1.00 0.00 C ATOM 323 OH TYR A 22 -7.253 -2.990 0.224 1.00 0.00 O ATOM 0 H TYR A 22 -5.962 2.628 1.380 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.266 1.847 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.814 1.682 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.940 0.818 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.967 -0.796 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.709 0.736 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.147 -2.625 2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.892 -1.090 -0.959 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.999 -3.006 -0.722 1.00 0.00 H new ATOM 333 N SER A 23 -4.816 2.965 5.638 1.00 0.00 N ATOM 334 CA SER A 23 -4.139 3.763 6.653 1.00 0.00 C ATOM 335 C SER A 23 -2.700 4.060 6.240 1.00 0.00 C ATOM 336 O SER A 23 -2.075 3.280 5.523 1.00 0.00 O ATOM 337 CB SER A 23 -4.155 3.035 7.999 1.00 0.00 C ATOM 338 OG SER A 23 -5.374 3.261 8.686 1.00 0.00 O ATOM 0 H SER A 23 -5.386 2.205 6.010 1.00 0.00 H new ATOM 0 HA SER A 23 -4.673 4.708 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.017 1.966 7.839 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.320 3.377 8.611 1.00 0.00 H new ATOM 0 HG SER A 23 -5.360 2.784 9.542 1.00 0.00 H new ATOM 344 N PHE A 24 -2.182 5.195 6.699 1.00 0.00 N ATOM 345 CA PHE A 24 -0.818 5.597 6.378 1.00 0.00 C ATOM 346 C PHE A 24 0.161 4.457 6.639 1.00 0.00 C ATOM 347 O PHE A 24 0.932 4.071 5.759 1.00 0.00 O ATOM 348 CB PHE A 24 -0.419 6.825 7.198 1.00 0.00 C ATOM 349 CG PHE A 24 -0.877 8.123 6.597 1.00 0.00 C ATOM 350 CD1 PHE A 24 -0.196 8.686 5.530 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.989 8.780 7.099 1.00 0.00 C ATOM 352 CE1 PHE A 24 -0.616 9.880 4.974 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.413 9.974 6.547 1.00 0.00 C ATOM 354 CZ PHE A 24 -1.725 10.525 5.484 1.00 0.00 C ATOM 0 H PHE A 24 -2.686 5.852 7.294 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.780 5.849 5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.834 6.732 8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.666 6.845 7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.673 8.186 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.530 8.354 7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.077 10.308 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.282 10.476 6.947 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.054 11.459 5.052 1.00 0.00 H new ATOM 364 N VAL A 25 0.126 3.921 7.855 1.00 0.00 N ATOM 365 CA VAL A 25 1.009 2.825 8.234 1.00 0.00 C ATOM 366 C VAL A 25 0.970 1.705 7.200 1.00 0.00 C ATOM 367 O VAL A 25 2.006 1.172 6.807 1.00 0.00 O ATOM 368 CB VAL A 25 0.632 2.250 9.612 1.00 0.00 C ATOM 369 CG1 VAL A 25 1.533 1.077 9.966 1.00 0.00 C ATOM 370 CG2 VAL A 25 0.707 3.332 10.679 1.00 0.00 C ATOM 0 H VAL A 25 -0.505 4.229 8.595 1.00 0.00 H new ATOM 0 HA VAL A 25 2.018 3.235 8.284 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.395 1.887 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.252 0.684 10.943 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.424 0.295 9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.570 1.411 9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.437 2.908 11.646 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.722 3.727 10.726 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.015 4.137 10.430 1.00 0.00 H new ATOM 380 N ASN A 26 -0.235 1.353 6.763 1.00 0.00 N ATOM 381 CA ASN A 26 -0.411 0.296 5.774 1.00 0.00 C ATOM 382 C ASN A 26 0.318 0.636 4.478 1.00 0.00 C ATOM 383 O ASN A 26 1.176 -0.119 4.020 1.00 0.00 O ATOM 384 CB ASN A 26 -1.899 0.074 5.492 1.00 0.00 C ATOM 385 CG ASN A 26 -2.663 -0.357 6.729 1.00 0.00 C ATOM 386 OD1 ASN A 26 -2.316 0.016 7.849 1.00 0.00 O ATOM 387 ND2 ASN A 26 -3.711 -1.148 6.530 1.00 0.00 N ATOM 0 H ASN A 26 -1.104 1.784 7.078 1.00 0.00 H new ATOM 0 HA ASN A 26 0.016 -0.621 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.334 0.994 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.010 -0.684 4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.264 -1.471 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.963 -1.433 5.583 1.00 0.00 H new ATOM 394 N CYS A 27 -0.028 1.778 3.894 1.00 0.00 N ATOM 395 CA CYS A 27 0.593 2.219 2.650 1.00 0.00 C ATOM 396 C CYS A 27 2.112 2.108 2.732 1.00 0.00 C ATOM 397 O CYS A 27 2.751 1.522 1.858 1.00 0.00 O ATOM 398 CB CYS A 27 0.191 3.661 2.338 1.00 0.00 C ATOM 399 SG CYS A 27 -1.342 3.812 1.392 1.00 0.00 S ATOM 0 H CYS A 27 -0.735 2.415 4.262 1.00 0.00 H new ATOM 0 HA CYS A 27 0.242 1.570 1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.082 4.207 3.275 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.997 4.139 1.782 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.346 3.936 2.209 1.00 0.00 H new ATOM 405 N LYS A 28 2.686 2.676 3.787 1.00 0.00 N ATOM 406 CA LYS A 28 4.130 2.643 3.985 1.00 0.00 C ATOM 407 C LYS A 28 4.675 1.234 3.772 1.00 0.00 C ATOM 408 O LYS A 28 5.691 1.045 3.101 1.00 0.00 O ATOM 409 CB LYS A 28 4.485 3.131 5.391 1.00 0.00 C ATOM 410 CG LYS A 28 5.928 3.584 5.532 1.00 0.00 C ATOM 411 CD LYS A 28 6.094 5.043 5.144 1.00 0.00 C ATOM 412 CE LYS A 28 7.284 5.675 5.851 1.00 0.00 C ATOM 413 NZ LYS A 28 7.177 7.160 5.898 1.00 0.00 N ATOM 0 H LYS A 28 2.172 3.166 4.519 1.00 0.00 H new ATOM 0 HA LYS A 28 4.588 3.307 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.826 3.958 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.294 2.329 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.256 3.441 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.568 2.964 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.227 5.121 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.187 5.593 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.353 5.284 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.203 5.393 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.006 7.553 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.137 7.536 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.313 7.430 6.410 1.00 0.00 H new ATOM 427 N LYS A 29 3.994 0.248 4.345 1.00 0.00 N ATOM 428 CA LYS A 29 4.408 -1.144 4.217 1.00 0.00 C ATOM 429 C LYS A 29 4.406 -1.580 2.755 1.00 0.00 C ATOM 430 O LYS A 29 5.342 -2.229 2.289 1.00 0.00 O ATOM 431 CB LYS A 29 3.482 -2.051 5.031 1.00 0.00 C ATOM 432 CG LYS A 29 4.141 -3.341 5.486 1.00 0.00 C ATOM 433 CD LYS A 29 3.111 -4.364 5.937 1.00 0.00 C ATOM 434 CE LYS A 29 2.567 -4.034 7.319 1.00 0.00 C ATOM 435 NZ LYS A 29 1.328 -4.802 7.625 1.00 0.00 N ATOM 0 H LYS A 29 3.152 0.387 4.903 1.00 0.00 H new ATOM 0 HA LYS A 29 5.424 -1.231 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.129 -1.505 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.605 -2.293 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.734 -3.755 4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.829 -3.130 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.291 -4.397 5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.563 -5.356 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.326 -4.254 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.357 -2.966 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.989 -4.549 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.595 -4.573 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.534 -5.821 7.591 1.00 0.00 H new ATOM 449 N ALA A 30 3.349 -1.217 2.036 1.00 0.00 N ATOM 450 CA ALA A 30 3.227 -1.567 0.626 1.00 0.00 C ATOM 451 C ALA A 30 4.335 -0.920 -0.198 1.00 0.00 C ATOM 452 O ALA A 30 4.952 -1.567 -1.045 1.00 0.00 O ATOM 453 CB ALA A 30 1.862 -1.154 0.096 1.00 0.00 C ATOM 0 H ALA A 30 2.565 -0.681 2.407 1.00 0.00 H new ATOM 0 HA ALA A 30 3.327 -2.649 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.785 -1.421 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.083 -1.668 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.739 -0.077 0.207 1.00 0.00 H new ATOM 459 N LEU A 31 4.582 0.361 0.054 1.00 0.00 N ATOM 460 CA LEU A 31 5.616 1.097 -0.665 1.00 0.00 C ATOM 461 C LEU A 31 6.984 0.455 -0.459 1.00 0.00 C ATOM 462 O LEU A 31 7.801 0.404 -1.378 1.00 0.00 O ATOM 463 CB LEU A 31 5.649 2.554 -0.202 1.00 0.00 C ATOM 464 CG LEU A 31 4.530 3.452 -0.732 1.00 0.00 C ATOM 465 CD1 LEU A 31 4.341 4.659 0.174 1.00 0.00 C ATOM 466 CD2 LEU A 31 4.830 3.893 -2.157 1.00 0.00 C ATOM 0 H LEU A 31 4.080 0.911 0.751 1.00 0.00 H new ATOM 0 HA LEU A 31 5.377 1.066 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.615 2.569 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.605 2.986 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 31 3.602 2.880 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.541 5.287 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.080 4.323 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.267 5.233 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.023 4.531 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.768 4.448 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.914 3.016 -2.799 1.00 0.00 H new ATOM 478 N GLU A 32 7.226 -0.035 0.753 1.00 0.00 N ATOM 479 CA GLU A 32 8.495 -0.675 1.078 1.00 0.00 C ATOM 480 C GLU A 32 8.609 -2.036 0.397 1.00 0.00 C ATOM 481 O GLU A 32 9.626 -2.350 -0.223 1.00 0.00 O ATOM 482 CB GLU A 32 8.637 -0.838 2.593 1.00 0.00 C ATOM 483 CG GLU A 32 9.059 0.437 3.305 1.00 0.00 C ATOM 484 CD GLU A 32 10.556 0.669 3.245 1.00 0.00 C ATOM 485 OE1 GLU A 32 11.170 0.326 2.213 1.00 0.00 O ATOM 486 OE2 GLU A 32 11.114 1.195 4.231 1.00 0.00 O ATOM 0 H GLU A 32 6.560 -0.001 1.525 1.00 0.00 H new ATOM 0 HA GLU A 32 9.298 -0.036 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.686 -1.176 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.369 -1.619 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.545 1.287 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.744 0.388 4.347 1.00 0.00 H new ATOM 493 N THR A 33 7.558 -2.841 0.517 1.00 0.00 N ATOM 494 CA THR A 33 7.539 -4.168 -0.085 1.00 0.00 C ATOM 495 C THR A 33 7.581 -4.083 -1.607 1.00 0.00 C ATOM 496 O THR A 33 8.016 -5.019 -2.278 1.00 0.00 O ATOM 497 CB THR A 33 6.287 -4.960 0.339 1.00 0.00 C ATOM 498 OG1 THR A 33 6.242 -5.076 1.766 1.00 0.00 O ATOM 499 CG2 THR A 33 6.285 -6.345 -0.288 1.00 0.00 C ATOM 0 H THR A 33 6.708 -2.597 1.026 1.00 0.00 H new ATOM 0 HA THR A 33 8.428 -4.689 0.272 1.00 0.00 H new ATOM 0 HB THR A 33 5.407 -4.420 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.945 -4.226 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.392 -6.885 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.290 -6.253 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.171 -6.892 0.034 1.00 0.00 H new ATOM 507 N CYS A 34 7.127 -2.956 -2.144 1.00 0.00 N ATOM 508 CA CYS A 34 7.112 -2.749 -3.587 1.00 0.00 C ATOM 509 C CYS A 34 8.271 -1.856 -4.020 1.00 0.00 C ATOM 510 O CYS A 34 8.650 -1.838 -5.191 1.00 0.00 O ATOM 511 CB CYS A 34 5.784 -2.126 -4.021 1.00 0.00 C ATOM 512 SG CYS A 34 4.331 -3.111 -3.587 1.00 0.00 S ATOM 0 H CYS A 34 6.765 -2.172 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 34 7.224 -3.720 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.691 -1.140 -3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.800 -1.978 -5.101 1.00 0.00 H new ATOM 0 HG CYS A 34 3.998 -2.873 -2.353 1.00 0.00 H new ATOM 518 N GLY A 35 8.830 -1.116 -3.067 1.00 0.00 N ATOM 519 CA GLY A 35 9.938 -0.231 -3.370 1.00 0.00 C ATOM 520 C GLY A 35 9.482 1.088 -3.963 1.00 0.00 C ATOM 521 O GLY A 35 9.616 1.315 -5.165 1.00 0.00 O ATOM 0 H GLY A 35 8.535 -1.114 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.505 -0.039 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.613 -0.725 -4.068 1.00 0.00 H new ATOM 525 N GLY A 36 8.939 1.959 -3.119 1.00 0.00 N ATOM 526 CA GLY A 36 8.468 3.250 -3.585 1.00 0.00 C ATOM 527 C GLY A 36 7.695 3.149 -4.886 1.00 0.00 C ATOM 528 O GLY A 36 7.754 4.050 -5.722 1.00 0.00 O ATOM 0 H GLY A 36 8.817 1.794 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.832 3.699 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.320 3.916 -3.722 1.00 0.00 H new ATOM 532 N ASP A 37 6.969 2.050 -5.057 1.00 0.00 N ATOM 533 CA ASP A 37 6.182 1.834 -6.265 1.00 0.00 C ATOM 534 C ASP A 37 4.707 2.130 -6.013 1.00 0.00 C ATOM 535 O ASP A 37 4.023 1.379 -5.316 1.00 0.00 O ATOM 536 CB ASP A 37 6.349 0.396 -6.759 1.00 0.00 C ATOM 537 CG ASP A 37 6.074 0.258 -8.244 1.00 0.00 C ATOM 538 OD1 ASP A 37 5.076 0.840 -8.719 1.00 0.00 O ATOM 539 OD2 ASP A 37 6.857 -0.430 -8.930 1.00 0.00 O ATOM 0 H ASP A 37 6.909 1.295 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 37 6.546 2.518 -7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.363 0.058 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.674 -0.256 -6.205 1.00 0.00 H new ATOM 544 N LEU A 38 4.223 3.228 -6.582 1.00 0.00 N ATOM 545 CA LEU A 38 2.828 3.624 -6.418 1.00 0.00 C ATOM 546 C LEU A 38 1.891 2.577 -7.012 1.00 0.00 C ATOM 547 O LEU A 38 0.972 2.100 -6.345 1.00 0.00 O ATOM 548 CB LEU A 38 2.581 4.980 -7.080 1.00 0.00 C ATOM 549 CG LEU A 38 3.212 6.190 -6.389 1.00 0.00 C ATOM 550 CD1 LEU A 38 2.427 7.454 -6.703 1.00 0.00 C ATOM 551 CD2 LEU A 38 3.286 5.966 -4.885 1.00 0.00 C ATOM 0 H LEU A 38 4.775 3.860 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 38 2.622 3.705 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.954 4.936 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.505 5.142 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 38 4.226 6.313 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.891 8.304 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.425 7.623 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.401 7.342 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.738 6.837 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.281 5.817 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.892 5.084 -4.678 1.00 0.00 H new ATOM 563 N LYS A 39 2.131 2.221 -8.270 1.00 0.00 N ATOM 564 CA LYS A 39 1.312 1.228 -8.954 1.00 0.00 C ATOM 565 C LYS A 39 1.337 -0.103 -8.210 1.00 0.00 C ATOM 566 O LYS A 39 0.305 -0.577 -7.735 1.00 0.00 O ATOM 567 CB LYS A 39 1.805 1.032 -10.389 1.00 0.00 C ATOM 568 CG LYS A 39 1.012 -0.002 -11.169 1.00 0.00 C ATOM 569 CD LYS A 39 -0.331 0.548 -11.619 1.00 0.00 C ATOM 570 CE LYS A 39 -1.164 -0.516 -12.318 1.00 0.00 C ATOM 571 NZ LYS A 39 -2.590 -0.108 -12.446 1.00 0.00 N ATOM 0 H LYS A 39 2.887 2.606 -8.836 1.00 0.00 H new ATOM 0 HA LYS A 39 0.285 1.593 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.757 1.986 -10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.853 0.733 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.586 -0.321 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.855 -0.885 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.877 0.930 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.173 1.389 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.751 -0.708 -13.308 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.102 -1.450 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.124 -0.859 -12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.992 0.051 -11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.652 0.770 -13.000 1.00 0.00 H new ATOM 585 N GLN A 40 2.520 -0.700 -8.113 1.00 0.00 N ATOM 586 CA GLN A 40 2.678 -1.976 -7.426 1.00 0.00 C ATOM 587 C GLN A 40 2.174 -1.887 -5.989 1.00 0.00 C ATOM 588 O GLN A 40 1.547 -2.816 -5.482 1.00 0.00 O ATOM 589 CB GLN A 40 4.145 -2.409 -7.439 1.00 0.00 C ATOM 590 CG GLN A 40 4.513 -3.279 -8.630 1.00 0.00 C ATOM 591 CD GLN A 40 4.317 -4.757 -8.356 1.00 0.00 C ATOM 592 OE1 GLN A 40 5.179 -5.410 -7.767 1.00 0.00 O ATOM 593 NE2 GLN A 40 3.180 -5.293 -8.782 1.00 0.00 N ATOM 0 H GLN A 40 3.383 -0.320 -8.502 1.00 0.00 H new ATOM 0 HA GLN A 40 2.083 -2.720 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.777 -1.521 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.362 -2.954 -6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.907 -2.989 -9.488 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.554 -3.098 -8.899 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.493 -4.714 -9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.993 -6.283 -8.625 1.00 0.00 H new ATOM 602 N ALA A 41 2.454 -0.762 -5.338 1.00 0.00 N ATOM 603 CA ALA A 41 2.027 -0.551 -3.961 1.00 0.00 C ATOM 604 C ALA A 41 0.605 -1.056 -3.742 1.00 0.00 C ATOM 605 O ALA A 41 0.350 -1.842 -2.831 1.00 0.00 O ATOM 606 CB ALA A 41 2.128 0.923 -3.597 1.00 0.00 C ATOM 0 H ALA A 41 2.974 0.016 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 41 2.690 -1.121 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.806 1.066 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.161 1.254 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.490 1.506 -4.261 1.00 0.00 H new ATOM 612 N GLU A 42 -0.316 -0.598 -4.584 1.00 0.00 N ATOM 613 CA GLU A 42 -1.713 -1.003 -4.481 1.00 0.00 C ATOM 614 C GLU A 42 -1.863 -2.504 -4.712 1.00 0.00 C ATOM 615 O GLU A 42 -2.423 -3.218 -3.880 1.00 0.00 O ATOM 616 CB GLU A 42 -2.567 -0.233 -5.490 1.00 0.00 C ATOM 617 CG GLU A 42 -3.921 -0.869 -5.753 1.00 0.00 C ATOM 618 CD GLU A 42 -4.971 0.144 -6.167 1.00 0.00 C ATOM 619 OE1 GLU A 42 -4.779 1.345 -5.886 1.00 0.00 O ATOM 620 OE2 GLU A 42 -5.985 -0.265 -6.771 1.00 0.00 O ATOM 0 H GLU A 42 -0.120 0.053 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.058 -0.772 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.717 0.783 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.022 -0.157 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.819 -1.621 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.256 -1.387 -4.854 1.00 0.00 H new ATOM 627 N ILE A 43 -1.359 -2.975 -5.848 1.00 0.00 N ATOM 628 CA ILE A 43 -1.436 -4.390 -6.189 1.00 0.00 C ATOM 629 C ILE A 43 -1.065 -5.264 -4.996 1.00 0.00 C ATOM 630 O ILE A 43 -1.690 -6.296 -4.752 1.00 0.00 O ATOM 631 CB ILE A 43 -0.511 -4.735 -7.371 1.00 0.00 C ATOM 632 CG1 ILE A 43 -0.923 -3.947 -8.616 1.00 0.00 C ATOM 633 CG2 ILE A 43 -0.543 -6.231 -7.649 1.00 0.00 C ATOM 634 CD1 ILE A 43 0.095 -4.007 -9.733 1.00 0.00 C ATOM 0 H ILE A 43 -0.893 -2.397 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.468 -4.590 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 43 0.509 -4.456 -7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.875 -4.332 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.086 -2.905 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.116 -6.460 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.207 -6.773 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.561 -6.534 -7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.263 -3.426 -10.583 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.042 -3.594 -9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.241 -5.044 -10.037 1.00 0.00 H new ATOM 646 N TRP A 44 -0.047 -4.842 -4.255 1.00 0.00 N ATOM 647 CA TRP A 44 0.406 -5.586 -3.085 1.00 0.00 C ATOM 648 C TRP A 44 -0.678 -5.629 -2.014 1.00 0.00 C ATOM 649 O TRP A 44 -1.161 -6.702 -1.648 1.00 0.00 O ATOM 650 CB TRP A 44 1.678 -4.956 -2.516 1.00 0.00 C ATOM 651 CG TRP A 44 2.327 -5.786 -1.450 1.00 0.00 C ATOM 652 CD1 TRP A 44 3.061 -6.923 -1.630 1.00 0.00 C ATOM 653 CD2 TRP A 44 2.297 -5.545 -0.039 1.00 0.00 C ATOM 654 NE1 TRP A 44 3.490 -7.404 -0.417 1.00 0.00 N ATOM 655 CE2 TRP A 44 3.036 -6.576 0.575 1.00 0.00 C ATOM 656 CE3 TRP A 44 1.721 -4.558 0.765 1.00 0.00 C ATOM 657 CZ2 TRP A 44 3.210 -6.646 1.955 1.00 0.00 C ATOM 658 CZ3 TRP A 44 1.895 -4.629 2.134 1.00 0.00 C ATOM 659 CH2 TRP A 44 2.635 -5.666 2.718 1.00 0.00 C ATOM 0 H TRP A 44 0.480 -3.989 -4.443 1.00 0.00 H new ATOM 0 HA TRP A 44 0.623 -6.608 -3.397 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.390 -4.797 -3.326 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.437 -3.975 -2.106 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.273 -7.378 -2.586 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.055 -8.242 -0.278 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.150 -3.754 0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.779 -7.445 2.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.453 -3.872 2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.754 -5.692 3.791 1.00 0.00 H new ATOM 670 N LEU A 45 -1.057 -4.458 -1.514 1.00 0.00 N ATOM 671 CA LEU A 45 -2.086 -4.362 -0.485 1.00 0.00 C ATOM 672 C LEU A 45 -3.272 -5.263 -0.814 1.00 0.00 C ATOM 673 O LEU A 45 -3.604 -6.172 -0.052 1.00 0.00 O ATOM 674 CB LEU A 45 -2.556 -2.914 -0.339 1.00 0.00 C ATOM 675 CG LEU A 45 -1.605 -1.970 0.397 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.033 -0.523 0.205 1.00 0.00 C ATOM 677 CD2 LEU A 45 -1.547 -2.318 1.878 1.00 0.00 C ATOM 0 H LEU A 45 -0.667 -3.562 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.653 -4.694 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.738 -2.510 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.512 -2.915 0.184 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.607 -2.091 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.344 0.134 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.022 -0.278 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.040 -0.386 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.865 -1.636 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.542 -2.226 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.192 -3.342 1.998 1.00 0.00 H new ATOM 689 N HIS A 46 -3.905 -5.007 -1.954 1.00 0.00 N ATOM 690 CA HIS A 46 -5.052 -5.797 -2.386 1.00 0.00 C ATOM 691 C HIS A 46 -4.748 -7.289 -2.298 1.00 0.00 C ATOM 692 O HIS A 46 -5.554 -8.069 -1.790 1.00 0.00 O ATOM 693 CB HIS A 46 -5.443 -5.427 -3.817 1.00 0.00 C ATOM 694 CG HIS A 46 -5.959 -4.027 -3.954 1.00 0.00 C ATOM 695 ND1 HIS A 46 -6.729 -3.411 -2.991 1.00 0.00 N ATOM 696 CD2 HIS A 46 -5.808 -3.122 -4.949 1.00 0.00 C ATOM 697 CE1 HIS A 46 -7.032 -2.188 -3.388 1.00 0.00 C ATOM 698 NE2 HIS A 46 -6.485 -1.987 -4.573 1.00 0.00 N ATOM 0 H HIS A 46 -3.643 -4.258 -2.595 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.886 -5.575 -1.721 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.576 -5.551 -4.465 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.205 -6.122 -4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.258 -3.265 -5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.626 -1.474 -2.837 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.554 -1.129 -5.120 1.00 0.00 H new ATOM 707 N LYS A 47 -3.581 -7.680 -2.799 1.00 0.00 N ATOM 708 CA LYS A 47 -3.169 -9.079 -2.777 1.00 0.00 C ATOM 709 C LYS A 47 -3.167 -9.624 -1.353 1.00 0.00 C ATOM 710 O LYS A 47 -3.727 -10.686 -1.085 1.00 0.00 O ATOM 711 CB LYS A 47 -1.777 -9.231 -3.395 1.00 0.00 C ATOM 712 CG LYS A 47 -1.801 -9.479 -4.894 1.00 0.00 C ATOM 713 CD LYS A 47 -0.496 -10.087 -5.379 1.00 0.00 C ATOM 714 CE LYS A 47 -0.472 -10.219 -6.894 1.00 0.00 C ATOM 715 NZ LYS A 47 -1.393 -11.288 -7.373 1.00 0.00 N ATOM 0 H LYS A 47 -2.904 -7.048 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.886 -9.652 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.199 -8.329 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.260 -10.057 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.628 -10.145 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.982 -8.540 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.339 -9.466 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.360 -11.069 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.754 -9.268 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.543 -10.440 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.348 -11.346 -8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.109 -12.200 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.366 -11.064 -7.081 1.00 0.00 H new ATOM 729 N GLU A 48 -2.534 -8.889 -0.444 1.00 0.00 N ATOM 730 CA GLU A 48 -2.460 -9.300 0.953 1.00 0.00 C ATOM 731 C GLU A 48 -3.851 -9.358 1.577 1.00 0.00 C ATOM 732 O GLU A 48 -4.180 -10.298 2.300 1.00 0.00 O ATOM 733 CB GLU A 48 -1.574 -8.336 1.745 1.00 0.00 C ATOM 734 CG GLU A 48 -0.098 -8.694 1.705 1.00 0.00 C ATOM 735 CD GLU A 48 0.158 -10.153 2.031 1.00 0.00 C ATOM 736 OE1 GLU A 48 0.061 -10.520 3.221 1.00 0.00 O ATOM 737 OE2 GLU A 48 0.456 -10.927 1.097 1.00 0.00 O ATOM 0 H GLU A 48 -2.065 -8.007 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.022 -10.298 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.706 -7.328 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.907 -8.319 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.299 -8.472 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.443 -8.067 2.413 1.00 0.00 H new ATOM 744 N ALA A 49 -4.664 -8.346 1.293 1.00 0.00 N ATOM 745 CA ALA A 49 -6.020 -8.282 1.824 1.00 0.00 C ATOM 746 C ALA A 49 -6.820 -9.520 1.436 1.00 0.00 C ATOM 747 O ALA A 49 -7.484 -10.128 2.274 1.00 0.00 O ATOM 748 CB ALA A 49 -6.719 -7.022 1.334 1.00 0.00 C ATOM 0 H ALA A 49 -4.407 -7.559 0.698 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.958 -8.249 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.731 -6.987 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.164 -6.145 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.763 -7.031 0.245 1.00 0.00 H new ATOM 754 N GLN A 50 -6.754 -9.886 0.160 1.00 0.00 N ATOM 755 CA GLN A 50 -7.474 -11.051 -0.339 1.00 0.00 C ATOM 756 C GLN A 50 -7.164 -12.284 0.503 1.00 0.00 C ATOM 757 O GLN A 50 -8.059 -13.062 0.837 1.00 0.00 O ATOM 758 CB GLN A 50 -7.112 -11.313 -1.802 1.00 0.00 C ATOM 759 CG GLN A 50 -8.235 -11.956 -2.601 1.00 0.00 C ATOM 760 CD GLN A 50 -7.722 -12.840 -3.721 1.00 0.00 C ATOM 761 OE1 GLN A 50 -6.953 -13.774 -3.488 1.00 0.00 O ATOM 762 NE2 GLN A 50 -8.145 -12.550 -4.945 1.00 0.00 N ATOM 0 H GLN A 50 -6.209 -9.392 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.542 -10.844 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.835 -10.370 -2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.234 -11.958 -1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.859 -12.549 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.870 -11.176 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.782 -11.767 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.833 -13.110 -5.738 1.00 0.00 H new ATOM 771 N LYS A 51 -5.892 -12.458 0.842 1.00 0.00 N ATOM 772 CA LYS A 51 -5.462 -13.596 1.646 1.00 0.00 C ATOM 773 C LYS A 51 -5.818 -13.390 3.115 1.00 0.00 C ATOM 774 O LYS A 51 -6.617 -14.136 3.679 1.00 0.00 O ATOM 775 CB LYS A 51 -3.954 -13.810 1.500 1.00 0.00 C ATOM 776 CG LYS A 51 -3.532 -14.243 0.107 1.00 0.00 C ATOM 777 CD LYS A 51 -2.122 -13.781 -0.219 1.00 0.00 C ATOM 778 CE LYS A 51 -1.078 -14.681 0.424 1.00 0.00 C ATOM 779 NZ LYS A 51 0.255 -14.535 -0.224 1.00 0.00 N ATOM 0 H LYS A 51 -5.139 -11.825 0.572 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.984 -14.482 1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.438 -12.884 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.631 -14.563 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.586 -15.329 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.228 -13.837 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.981 -13.773 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.984 -12.757 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.995 -14.441 1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.403 -15.719 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.939 -15.165 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.182 -14.788 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.577 -13.550 -0.138 1.00 0.00 H new ATOM 793 N GLU A 52 -5.220 -12.373 3.726 1.00 0.00 N ATOM 794 CA GLU A 52 -5.475 -12.069 5.130 1.00 0.00 C ATOM 795 C GLU A 52 -6.970 -11.907 5.388 1.00 0.00 C ATOM 796 O GLU A 52 -7.566 -12.669 6.149 1.00 0.00 O ATOM 797 CB GLU A 52 -4.734 -10.796 5.542 1.00 0.00 C ATOM 798 CG GLU A 52 -3.233 -10.865 5.317 1.00 0.00 C ATOM 799 CD GLU A 52 -2.532 -11.755 6.325 1.00 0.00 C ATOM 800 OE1 GLU A 52 -2.369 -11.325 7.486 1.00 0.00 O ATOM 801 OE2 GLU A 52 -2.148 -12.884 5.952 1.00 0.00 O ATOM 0 H GLU A 52 -4.556 -11.746 3.272 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.109 -12.903 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.138 -9.953 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.926 -10.599 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.037 -11.237 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.815 -9.860 5.372 1.00 0.00 H new ATOM 808 N GLY A 53 -7.570 -10.908 4.749 1.00 0.00 N ATOM 809 CA GLY A 53 -8.990 -10.663 4.922 1.00 0.00 C ATOM 810 C GLY A 53 -9.268 -9.438 5.772 1.00 0.00 C ATOM 811 O GLY A 53 -10.112 -9.474 6.667 1.00 0.00 O ATOM 0 H GLY A 53 -7.098 -10.264 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.455 -10.536 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.452 -11.535 5.385 1.00 0.00 H new ATOM 815 N TRP A 54 -8.554 -8.353 5.493 1.00 0.00 N ATOM 816 CA TRP A 54 -8.727 -7.112 6.240 1.00 0.00 C ATOM 817 C TRP A 54 -10.162 -6.609 6.135 1.00 0.00 C ATOM 818 O TRP A 54 -10.860 -6.480 7.140 1.00 0.00 O ATOM 819 CB TRP A 54 -7.760 -6.045 5.727 1.00 0.00 C ATOM 820 CG TRP A 54 -6.324 -6.471 5.776 1.00 0.00 C ATOM 821 CD1 TRP A 54 -5.729 -7.236 6.739 1.00 0.00 C ATOM 822 CD2 TRP A 54 -5.302 -6.155 4.824 1.00 0.00 C ATOM 823 NE1 TRP A 54 -4.399 -7.414 6.442 1.00 0.00 N ATOM 824 CE2 TRP A 54 -4.113 -6.762 5.272 1.00 0.00 C ATOM 825 CE3 TRP A 54 -5.277 -5.421 3.636 1.00 0.00 C ATOM 826 CZ2 TRP A 54 -2.913 -6.655 4.573 1.00 0.00 C ATOM 827 CZ3 TRP A 54 -4.086 -5.314 2.943 1.00 0.00 C ATOM 828 CH2 TRP A 54 -2.918 -5.929 3.413 1.00 0.00 C ATOM 0 H TRP A 54 -7.851 -8.307 4.756 1.00 0.00 H new ATOM 0 HA TRP A 54 -8.509 -7.315 7.289 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.021 -5.792 4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.883 -5.139 6.320 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.230 -7.641 7.606 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.733 -7.946 7.002 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.173 -4.945 3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.011 -7.128 4.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.055 -4.747 2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.003 -5.828 2.848 1.00 0.00 H new ATOM 839 N SER A 55 -10.597 -6.325 4.911 1.00 0.00 N ATOM 840 CA SER A 55 -11.949 -5.832 4.675 1.00 0.00 C ATOM 841 C SER A 55 -12.987 -6.829 5.180 1.00 0.00 C ATOM 842 O SER A 55 -13.867 -6.482 5.967 1.00 0.00 O ATOM 843 CB SER A 55 -12.164 -5.565 3.184 1.00 0.00 C ATOM 844 OG SER A 55 -13.243 -4.670 2.977 1.00 0.00 O ATOM 0 H SER A 55 -10.033 -6.428 4.068 1.00 0.00 H new ATOM 0 HA SER A 55 -12.070 -4.899 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.254 -5.149 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.362 -6.504 2.668 1.00 0.00 H new ATOM 0 HG SER A 55 -13.359 -4.514 2.016 1.00 0.00 H new ATOM 850 N LYS A 56 -12.877 -8.071 4.721 1.00 0.00 N ATOM 851 CA LYS A 56 -13.804 -9.122 5.125 1.00 0.00 C ATOM 852 C LYS A 56 -13.076 -10.451 5.301 1.00 0.00 C ATOM 853 O LYS A 56 -12.077 -10.716 4.633 1.00 0.00 O ATOM 854 CB LYS A 56 -14.920 -9.272 4.089 1.00 0.00 C ATOM 855 CG LYS A 56 -16.036 -8.254 4.245 1.00 0.00 C ATOM 856 CD LYS A 56 -17.024 -8.671 5.322 1.00 0.00 C ATOM 857 CE LYS A 56 -17.689 -7.464 5.967 1.00 0.00 C ATOM 858 NZ LYS A 56 -18.636 -6.790 5.036 1.00 0.00 N ATOM 0 H LYS A 56 -12.154 -8.375 4.068 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.242 -8.838 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.492 -9.179 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.341 -10.275 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.611 -7.282 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.559 -8.137 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.786 -9.318 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.508 -9.254 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.223 -7.779 6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.925 -6.755 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.069 -5.973 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.122 -6.467 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.380 -7.459 4.753 1.00 0.00 H new ATOM 872 N ALA A 57 -13.585 -11.284 6.203 1.00 0.00 N ATOM 873 CA ALA A 57 -12.986 -12.587 6.463 1.00 0.00 C ATOM 874 C ALA A 57 -13.871 -13.713 5.940 1.00 0.00 C ATOM 875 O ALA A 57 -15.085 -13.553 5.814 1.00 0.00 O ATOM 876 CB ALA A 57 -12.730 -12.762 7.953 1.00 0.00 C ATOM 0 H ALA A 57 -14.411 -11.079 6.766 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.034 -12.634 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.282 -13.739 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.051 -11.983 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.673 -12.689 8.495 1.00 0.00 H new ATOM 882 N ALA A 58 -13.256 -14.851 5.636 1.00 0.00 N ATOM 883 CA ALA A 58 -13.989 -16.004 5.128 1.00 0.00 C ATOM 884 C ALA A 58 -13.194 -17.290 5.324 1.00 0.00 C ATOM 885 O ALA A 58 -12.027 -17.256 5.715 1.00 0.00 O ATOM 886 CB ALA A 58 -14.326 -15.808 3.657 1.00 0.00 C ATOM 0 H ALA A 58 -12.251 -14.999 5.733 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.917 -16.092 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.873 -16.676 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.941 -14.916 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.405 -15.691 3.085 1.00 0.00 H new ATOM 892 N SER A 59 -13.833 -18.423 5.051 1.00 0.00 N ATOM 893 CA SER A 59 -13.186 -19.721 5.202 1.00 0.00 C ATOM 894 C SER A 59 -12.492 -20.136 3.908 1.00 0.00 C ATOM 895 O SER A 59 -13.143 -20.513 2.935 1.00 0.00 O ATOM 896 CB SER A 59 -14.212 -20.782 5.607 1.00 0.00 C ATOM 897 OG SER A 59 -13.574 -21.933 6.131 1.00 0.00 O ATOM 0 H SER A 59 -14.798 -18.468 4.724 1.00 0.00 H new ATOM 0 HA SER A 59 -12.434 -19.635 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.893 -20.369 6.351 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.815 -21.058 4.742 1.00 0.00 H new ATOM 0 HG SER A 59 -14.250 -22.595 6.384 1.00 0.00 H new ATOM 903 N GLY A 60 -11.165 -20.063 3.906 1.00 0.00 N ATOM 904 CA GLY A 60 -10.403 -20.434 2.728 1.00 0.00 C ATOM 905 C GLY A 60 -9.079 -21.087 3.074 1.00 0.00 C ATOM 906 O GLY A 60 -8.443 -20.755 4.074 1.00 0.00 O ATOM 0 H GLY A 60 -10.604 -19.753 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.993 -21.118 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.219 -19.546 2.124 1.00 0.00 H new ATOM 910 N PRO A 61 -8.647 -22.039 2.235 1.00 0.00 N ATOM 911 CA PRO A 61 -7.387 -22.761 2.438 1.00 0.00 C ATOM 912 C PRO A 61 -6.168 -21.873 2.213 1.00 0.00 C ATOM 913 O PRO A 61 -6.299 -20.679 1.943 1.00 0.00 O ATOM 914 CB PRO A 61 -7.441 -23.871 1.385 1.00 0.00 C ATOM 915 CG PRO A 61 -8.337 -23.340 0.320 1.00 0.00 C ATOM 916 CD PRO A 61 -9.355 -22.485 1.023 1.00 0.00 C ATOM 0 HA PRO A 61 -7.287 -23.128 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.449 -24.093 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.832 -24.797 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.774 -22.757 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.819 -24.152 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.666 -21.642 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.254 -23.050 1.268 1.00 0.00 H new ATOM 924 N SER A 62 -4.983 -22.463 2.326 1.00 0.00 N ATOM 925 CA SER A 62 -3.740 -21.724 2.138 1.00 0.00 C ATOM 926 C SER A 62 -3.345 -21.690 0.665 1.00 0.00 C ATOM 927 O SER A 62 -3.734 -22.560 -0.114 1.00 0.00 O ATOM 928 CB SER A 62 -2.617 -22.355 2.965 1.00 0.00 C ATOM 929 OG SER A 62 -1.488 -21.500 3.027 1.00 0.00 O ATOM 0 H SER A 62 -4.857 -23.451 2.547 1.00 0.00 H new ATOM 0 HA SER A 62 -3.900 -20.700 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.976 -22.563 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.330 -23.310 2.526 1.00 0.00 H new ATOM 0 HG SER A 62 -0.785 -21.925 3.562 1.00 0.00 H new ATOM 935 N SER A 63 -2.569 -20.678 0.290 1.00 0.00 N ATOM 936 CA SER A 63 -2.123 -20.527 -1.090 1.00 0.00 C ATOM 937 C SER A 63 -0.916 -19.599 -1.173 1.00 0.00 C ATOM 938 O SER A 63 -0.787 -18.658 -0.391 1.00 0.00 O ATOM 939 CB SER A 63 -3.260 -19.983 -1.958 1.00 0.00 C ATOM 940 OG SER A 63 -4.054 -21.036 -2.477 1.00 0.00 O ATOM 0 H SER A 63 -2.236 -19.950 0.923 1.00 0.00 H new ATOM 0 HA SER A 63 -1.829 -21.509 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.883 -19.311 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.847 -19.397 -2.779 1.00 0.00 H new ATOM 0 HG SER A 63 -4.115 -21.756 -1.815 1.00 0.00 H new ATOM 946 N GLY A 64 -0.031 -19.872 -2.128 1.00 0.00 N ATOM 947 CA GLY A 64 1.155 -19.053 -2.296 1.00 0.00 C ATOM 948 C GLY A 64 1.355 -18.611 -3.732 1.00 0.00 C ATOM 949 O GLY A 64 0.729 -19.146 -4.646 1.00 0.00 O ATOM 0 H GLY A 64 -0.115 -20.645 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.080 -18.174 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.030 -19.614 -1.966 1.00 0.00 H new TER 953 GLY A 64