USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 767 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 73 ASN : amide:sc= -0.755 K(o=-0.76,f=-6.8!) USER MOD Set 1.2: A 85 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot 130:sc= 0.429 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.3!) USER MOD Single : A 4 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.013) USER MOD Single : A 5 ASN : amide:sc= 0.187 K(o=0.19,f=-5.8!) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.118 F(o=-0.85,f=-0.12) USER MOD Single : A 10 GLN : amide:sc= -4.92! C(o=-4.9!,f=-10!) USER MOD Single : A 15 CYS SG : rot 120:sc= -2.09 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.701 X(o=-0.7,f=-0.83) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0921 X(o=-0.092,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 36 ASN : amide:sc= -0.923 K(o=-0.92,f=-9.1!) USER MOD Single : A 38 ASN : amide:sc= -0.0493 K(o=-0.049,f=-1.3) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.103 USER MOD Single : A 47 ASN : amide:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.24) USER MOD Single : A 60 THR OG1 : rot -31:sc= 1.06 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 156:sc= -2.78 (180deg=-4.34!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.284 29.286 -8.803 1.00 0.00 N ATOM 2 CA MET A 1 -8.093 28.491 -7.839 1.00 0.00 C ATOM 3 C MET A 1 -8.496 27.143 -8.439 1.00 0.00 C ATOM 4 O MET A 1 -9.542 27.025 -9.081 1.00 0.00 O ATOM 5 CB MET A 1 -9.339 29.300 -7.455 1.00 0.00 C ATOM 6 CG MET A 1 -9.876 28.979 -6.066 1.00 0.00 C ATOM 7 SD MET A 1 -9.624 30.327 -4.895 1.00 0.00 S ATOM 8 CE MET A 1 -7.859 30.206 -4.611 1.00 0.00 C ATOM 0 H1 MET A 1 -7.024 30.195 -8.371 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.421 28.760 -9.049 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.841 29.459 -9.664 1.00 0.00 H new ATOM 0 HA MET A 1 -7.495 28.289 -6.951 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.101 30.362 -7.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.123 29.113 -8.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.941 28.757 -6.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.387 28.080 -5.690 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.550 30.977 -3.905 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.623 29.224 -4.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.329 30.343 -5.553 1.00 0.00 H new ATOM 20 N SER A 2 -7.656 26.129 -8.229 1.00 0.00 N ATOM 21 CA SER A 2 -7.920 24.789 -8.747 1.00 0.00 C ATOM 22 C SER A 2 -7.181 23.731 -7.927 1.00 0.00 C ATOM 23 O SER A 2 -6.008 23.906 -7.592 1.00 0.00 O ATOM 24 CB SER A 2 -7.506 24.691 -10.217 1.00 0.00 C ATOM 25 OG SER A 2 -8.456 23.949 -10.965 1.00 0.00 O ATOM 0 H SER A 2 -6.786 26.212 -7.703 1.00 0.00 H new ATOM 0 HA SER A 2 -8.991 24.604 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.408 25.692 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.528 24.216 -10.292 1.00 0.00 H new ATOM 0 HG SER A 2 -8.170 23.902 -11.901 1.00 0.00 H new ATOM 31 N ASN A 3 -7.873 22.638 -7.608 1.00 0.00 N ATOM 32 CA ASN A 3 -7.283 21.553 -6.825 1.00 0.00 C ATOM 33 C ASN A 3 -6.268 20.765 -7.648 1.00 0.00 C ATOM 34 O ASN A 3 -6.573 20.299 -8.749 1.00 0.00 O ATOM 35 CB ASN A 3 -8.371 20.604 -6.309 1.00 0.00 C ATOM 36 CG ASN A 3 -8.839 20.953 -4.907 1.00 0.00 C ATOM 37 OD1 ASN A 3 -8.069 21.455 -4.088 1.00 0.00 O ATOM 38 ND2 ASN A 3 -10.109 20.684 -4.623 1.00 0.00 N ATOM 0 H ASN A 3 -8.843 22.480 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.768 22.005 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.223 20.631 -6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.990 19.583 -6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.480 20.894 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.713 20.268 -5.332 1.00 0.00 H new ATOM 45 N HIS A 4 -5.065 20.609 -7.099 1.00 0.00 N ATOM 46 CA HIS A 4 -4.001 19.865 -7.767 1.00 0.00 C ATOM 47 C HIS A 4 -3.417 18.797 -6.832 1.00 0.00 C ATOM 48 O HIS A 4 -2.235 18.456 -6.929 1.00 0.00 O ATOM 49 CB HIS A 4 -2.898 20.825 -8.235 1.00 0.00 C ATOM 50 CG HIS A 4 -2.459 20.601 -9.650 1.00 0.00 C ATOM 51 ND1 HIS A 4 -1.978 21.612 -10.456 1.00 0.00 N ATOM 52 CD2 HIS A 4 -2.425 19.476 -10.403 1.00 0.00 C ATOM 53 CE1 HIS A 4 -1.666 21.119 -11.641 1.00 0.00 C ATOM 54 NE2 HIS A 4 -1.929 19.825 -11.636 1.00 0.00 N ATOM 0 H HIS A 4 -4.803 20.990 -6.190 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.424 19.363 -8.637 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.255 21.850 -8.133 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.036 20.721 -7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.731 18.488 -10.092 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.264 21.679 -12.473 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.787 19.188 -12.420 1.00 0.00 H new ATOM 63 N ASN A 5 -4.252 18.275 -5.927 1.00 0.00 N ATOM 64 CA ASN A 5 -3.818 17.253 -4.974 1.00 0.00 C ATOM 65 C ASN A 5 -4.667 15.988 -5.082 1.00 0.00 C ATOM 66 O ASN A 5 -5.895 16.060 -5.168 1.00 0.00 O ATOM 67 CB ASN A 5 -3.870 17.797 -3.536 1.00 0.00 C ATOM 68 CG ASN A 5 -5.218 18.392 -3.149 1.00 0.00 C ATOM 69 OD1 ASN A 5 -6.060 18.683 -4.000 1.00 0.00 O ATOM 70 ND2 ASN A 5 -5.425 18.582 -1.849 1.00 0.00 N ATOM 0 H ASN A 5 -5.231 18.545 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.789 16.993 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.628 16.990 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.100 18.560 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.306 18.982 -1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.703 18.328 -1.175 1.00 0.00 H new ATOM 77 N HIS A 6 -4.003 14.826 -5.072 1.00 0.00 N ATOM 78 CA HIS A 6 -4.697 13.538 -5.161 1.00 0.00 C ATOM 79 C HIS A 6 -3.725 12.360 -5.053 1.00 0.00 C ATOM 80 O HIS A 6 -2.645 12.372 -5.647 1.00 0.00 O ATOM 81 CB HIS A 6 -5.501 13.436 -6.468 1.00 0.00 C ATOM 82 CG HIS A 6 -4.707 13.687 -7.719 1.00 0.00 C ATOM 83 ND1 HIS A 6 -3.420 14.072 -7.900 1.00 0.00 N flip ATOM 84 CD2 HIS A 6 -5.238 13.542 -8.984 1.00 0.00 C flip ATOM 85 CE1 HIS A 6 -3.202 14.152 -9.253 1.00 0.00 C flip ATOM 86 NE2 HIS A 6 -4.315 13.826 -9.885 1.00 0.00 N flip ATOM 0 H HIS A 6 -2.988 14.752 -5.003 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.385 13.488 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.943 12.442 -6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.324 14.149 -6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.252 13.242 -9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.272 14.435 -9.724 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.440 13.798 -10.897 1.00 0.00 H new ATOM 95 N ILE A 7 -4.127 11.338 -4.298 1.00 0.00 N ATOM 96 CA ILE A 7 -3.313 10.137 -4.114 1.00 0.00 C ATOM 97 C ILE A 7 -3.966 8.939 -4.806 1.00 0.00 C ATOM 98 O ILE A 7 -5.183 8.912 -4.992 1.00 0.00 O ATOM 99 CB ILE A 7 -3.107 9.811 -2.613 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.624 11.050 -1.848 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.119 8.663 -2.443 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.270 11.560 -2.294 1.00 0.00 C ATOM 0 H ILE A 7 -5.017 11.318 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.339 10.334 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.067 9.505 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.358 11.847 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.580 10.814 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.988 8.450 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.502 7.776 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.159 8.942 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.000 12.437 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.522 10.781 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.312 11.830 -3.349 1.00 0.00 H new ATOM 114 N THR A 8 -3.156 7.956 -5.192 1.00 0.00 N ATOM 115 CA THR A 8 -3.663 6.762 -5.869 1.00 0.00 C ATOM 116 C THR A 8 -3.318 5.494 -5.085 1.00 0.00 C ATOM 117 O THR A 8 -2.153 5.106 -5.000 1.00 0.00 O ATOM 118 CB THR A 8 -3.089 6.663 -7.285 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.998 7.941 -7.893 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.904 5.777 -8.199 1.00 0.00 C ATOM 0 H THR A 8 -2.146 7.961 -5.048 1.00 0.00 H new ATOM 0 HA THR A 8 -4.748 6.851 -5.927 1.00 0.00 H new ATOM 0 HB THR A 8 -2.100 6.221 -7.159 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.099 8.064 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.443 5.750 -9.186 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.942 4.768 -7.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.916 6.173 -8.282 1.00 0.00 H new ATOM 128 N VAL A 9 -4.339 4.848 -4.520 1.00 0.00 N ATOM 129 CA VAL A 9 -4.142 3.620 -3.752 1.00 0.00 C ATOM 130 C VAL A 9 -5.101 2.522 -4.216 1.00 0.00 C ATOM 131 O VAL A 9 -6.295 2.555 -3.914 1.00 0.00 O ATOM 132 CB VAL A 9 -4.311 3.864 -2.231 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.700 4.392 -1.906 1.00 0.00 C ATOM 134 CG2 VAL A 9 -4.013 2.593 -1.443 1.00 0.00 C ATOM 0 H VAL A 9 -5.310 5.155 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.118 3.291 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.591 4.626 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.786 4.553 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.862 5.335 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.449 3.667 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.138 2.788 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.700 1.805 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.988 2.277 -1.636 1.00 0.00 H new ATOM 144 N GLN A 10 -4.572 1.552 -4.961 1.00 0.00 N ATOM 145 CA GLN A 10 -5.387 0.451 -5.471 1.00 0.00 C ATOM 146 C GLN A 10 -4.746 -0.907 -5.190 1.00 0.00 C ATOM 147 O GLN A 10 -3.527 -1.012 -5.035 1.00 0.00 O ATOM 148 CB GLN A 10 -5.628 0.617 -6.977 1.00 0.00 C ATOM 149 CG GLN A 10 -4.375 0.940 -7.775 1.00 0.00 C ATOM 150 CD GLN A 10 -4.282 2.401 -8.166 1.00 0.00 C ATOM 151 OE1 GLN A 10 -3.288 3.064 -7.877 1.00 0.00 O ATOM 152 NE2 GLN A 10 -5.316 2.908 -8.831 1.00 0.00 N ATOM 0 H GLN A 10 -3.587 1.506 -5.224 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.343 0.483 -4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.067 -0.301 -7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.359 1.411 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.497 0.670 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.357 0.327 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.120 2.320 -9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.305 3.885 -9.123 1.00 0.00 H new ATOM 161 N PHE A 11 -5.583 -1.945 -5.127 1.00 0.00 N ATOM 162 CA PHE A 11 -5.116 -3.305 -4.863 1.00 0.00 C ATOM 163 C PHE A 11 -5.398 -4.217 -6.054 1.00 0.00 C ATOM 164 O PHE A 11 -6.434 -4.093 -6.712 1.00 0.00 O ATOM 165 CB PHE A 11 -5.786 -3.871 -3.608 1.00 0.00 C ATOM 166 CG PHE A 11 -5.689 -2.966 -2.407 1.00 0.00 C ATOM 167 CD1 PHE A 11 -6.572 -1.908 -2.245 1.00 0.00 C ATOM 168 CD2 PHE A 11 -4.714 -3.171 -1.444 1.00 0.00 C ATOM 169 CE1 PHE A 11 -6.484 -1.076 -1.147 1.00 0.00 C ATOM 170 CE2 PHE A 11 -4.620 -2.340 -0.344 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.505 -1.291 -0.195 1.00 0.00 C ATOM 0 H PHE A 11 -6.592 -1.867 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.039 -3.263 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.837 -4.062 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.330 -4.831 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.337 -1.733 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.019 -3.990 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.179 -0.258 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.855 -2.511 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.433 -0.640 0.663 1.00 0.00 H new ATOM 181 N ALA A 12 -4.470 -5.132 -6.327 1.00 0.00 N ATOM 182 CA ALA A 12 -4.609 -6.069 -7.440 1.00 0.00 C ATOM 183 C ALA A 12 -4.190 -7.485 -7.044 1.00 0.00 C ATOM 184 O ALA A 12 -3.585 -7.697 -5.990 1.00 0.00 O ATOM 185 CB ALA A 12 -3.788 -5.593 -8.632 1.00 0.00 C ATOM 0 H ALA A 12 -3.610 -5.245 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.663 -6.101 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.899 -6.299 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.139 -4.610 -8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.738 -5.529 -8.348 1.00 0.00 H new ATOM 191 N GLY A 13 -4.516 -8.451 -7.904 1.00 0.00 N ATOM 192 CA GLY A 13 -4.170 -9.838 -7.647 1.00 0.00 C ATOM 193 C GLY A 13 -4.901 -10.410 -6.446 1.00 0.00 C ATOM 194 O GLY A 13 -6.093 -10.710 -6.524 1.00 0.00 O ATOM 0 H GLY A 13 -5.017 -8.294 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.403 -10.436 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.095 -9.916 -7.484 1.00 0.00 H new ATOM 198 N GLY A 14 -4.183 -10.556 -5.334 1.00 0.00 N ATOM 199 CA GLY A 14 -4.779 -11.093 -4.121 1.00 0.00 C ATOM 200 C GLY A 14 -4.539 -10.213 -2.904 1.00 0.00 C ATOM 201 O GLY A 14 -4.417 -10.721 -1.788 1.00 0.00 O ATOM 0 H GLY A 14 -3.196 -10.311 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.852 -11.212 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.372 -12.086 -3.931 1.00 0.00 H new ATOM 205 N CYS A 15 -4.476 -8.894 -3.115 1.00 0.00 N ATOM 206 CA CYS A 15 -4.255 -7.950 -2.017 1.00 0.00 C ATOM 207 C CYS A 15 -5.545 -7.214 -1.656 1.00 0.00 C ATOM 208 O CYS A 15 -5.765 -6.869 -0.495 1.00 0.00 O ATOM 209 CB CYS A 15 -3.164 -6.942 -2.386 1.00 0.00 C ATOM 210 SG CYS A 15 -2.301 -6.237 -0.960 1.00 0.00 S ATOM 0 H CYS A 15 -4.575 -8.458 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.930 -8.521 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.436 -7.431 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.611 -6.133 -2.963 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.034 -6.520 -1.036 1.00 0.00 H new ATOM 216 N GLU A 16 -6.397 -6.981 -2.658 1.00 0.00 N ATOM 217 CA GLU A 16 -7.669 -6.289 -2.449 1.00 0.00 C ATOM 218 C GLU A 16 -8.550 -7.035 -1.442 1.00 0.00 C ATOM 219 O GLU A 16 -9.298 -6.414 -0.684 1.00 0.00 O ATOM 220 CB GLU A 16 -8.409 -6.128 -3.780 1.00 0.00 C ATOM 221 CG GLU A 16 -8.822 -7.448 -4.420 1.00 0.00 C ATOM 222 CD GLU A 16 -8.476 -7.519 -5.895 1.00 0.00 C ATOM 223 OE1 GLU A 16 -7.274 -7.439 -6.230 1.00 0.00 O ATOM 224 OE2 GLU A 16 -9.407 -7.663 -6.715 1.00 0.00 O ATOM 0 H GLU A 16 -6.227 -7.263 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.451 -5.303 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.299 -5.520 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.771 -5.582 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.332 -8.269 -3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.896 -7.586 -4.296 1.00 0.00 H new ATOM 231 N LEU A 17 -8.455 -8.368 -1.436 1.00 0.00 N ATOM 232 CA LEU A 17 -9.242 -9.197 -0.523 1.00 0.00 C ATOM 233 C LEU A 17 -8.802 -9.025 0.940 1.00 0.00 C ATOM 234 O LEU A 17 -9.471 -9.521 1.846 1.00 0.00 O ATOM 235 CB LEU A 17 -9.140 -10.673 -0.923 1.00 0.00 C ATOM 236 CG LEU A 17 -10.232 -11.166 -1.876 1.00 0.00 C ATOM 237 CD1 LEU A 17 -9.865 -10.855 -3.322 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.466 -12.658 -1.689 1.00 0.00 C ATOM 0 H LEU A 17 -7.839 -8.895 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.278 -8.866 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.169 -10.840 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.167 -11.281 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.158 -10.641 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.654 -11.214 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.750 -9.778 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.928 -11.351 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.245 -12.993 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.543 -13.200 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.777 -12.852 -0.663 1.00 0.00 H new ATOM 250 N LEU A 18 -7.686 -8.320 1.172 1.00 0.00 N ATOM 251 CA LEU A 18 -7.190 -8.099 2.534 1.00 0.00 C ATOM 252 C LEU A 18 -7.877 -6.899 3.211 1.00 0.00 C ATOM 253 O LEU A 18 -7.419 -6.428 4.254 1.00 0.00 O ATOM 254 CB LEU A 18 -5.671 -7.885 2.520 1.00 0.00 C ATOM 255 CG LEU A 18 -4.847 -9.061 1.987 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.404 -8.639 1.755 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.910 -10.238 2.949 1.00 0.00 C ATOM 0 H LEU A 18 -7.115 -7.897 0.440 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.429 -8.991 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.451 -7.005 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.343 -7.664 3.536 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.272 -9.374 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.833 -9.487 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.375 -7.828 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.969 -8.299 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.319 -11.064 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.511 -9.938 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.946 -10.557 3.066 1.00 0.00 H new ATOM 269 N PHE A 19 -8.979 -6.415 2.627 1.00 0.00 N ATOM 270 CA PHE A 19 -9.719 -5.286 3.184 1.00 0.00 C ATOM 271 C PHE A 19 -11.202 -5.430 2.875 1.00 0.00 C ATOM 272 O PHE A 19 -12.020 -5.592 3.780 1.00 0.00 O ATOM 273 CB PHE A 19 -9.176 -3.964 2.622 1.00 0.00 C ATOM 274 CG PHE A 19 -9.867 -2.734 3.150 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.015 -2.532 4.514 1.00 0.00 C ATOM 276 CD2 PHE A 19 -10.363 -1.775 2.279 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.643 -1.398 4.997 1.00 0.00 C ATOM 278 CE2 PHE A 19 -10.993 -0.641 2.757 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.132 -0.454 4.118 1.00 0.00 C ATOM 0 H PHE A 19 -9.376 -6.792 1.766 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.589 -5.278 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.113 -3.895 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.268 -3.980 1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.636 -3.268 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.256 -1.916 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.750 -1.252 6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.376 0.097 2.067 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.623 0.431 4.494 1.00 0.00 H new ATOM 289 N ALA A 20 -11.537 -5.383 1.587 1.00 0.00 N ATOM 290 CA ALA A 20 -12.920 -5.521 1.147 1.00 0.00 C ATOM 291 C ALA A 20 -13.008 -5.620 -0.379 1.00 0.00 C ATOM 292 O ALA A 20 -13.928 -5.076 -0.993 1.00 0.00 O ATOM 293 CB ALA A 20 -13.748 -4.351 1.666 1.00 0.00 C ATOM 0 H ALA A 20 -10.867 -5.250 0.830 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.324 -6.446 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.780 -4.460 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.717 -4.338 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.340 -3.417 1.280 1.00 0.00 H new ATOM 299 N LYS A 21 -12.039 -6.319 -0.984 1.00 0.00 N ATOM 300 CA LYS A 21 -11.991 -6.491 -2.438 1.00 0.00 C ATOM 301 C LYS A 21 -12.104 -5.140 -3.155 1.00 0.00 C ATOM 302 O LYS A 21 -12.707 -5.042 -4.227 1.00 0.00 O ATOM 303 CB LYS A 21 -13.104 -7.440 -2.899 1.00 0.00 C ATOM 304 CG LYS A 21 -13.144 -8.750 -2.127 1.00 0.00 C ATOM 305 CD LYS A 21 -14.158 -8.697 -0.993 1.00 0.00 C ATOM 306 CE LYS A 21 -14.600 -10.090 -0.572 1.00 0.00 C ATOM 307 NZ LYS A 21 -15.788 -10.050 0.328 1.00 0.00 N ATOM 0 H LYS A 21 -11.276 -6.776 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.028 -6.930 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.065 -6.937 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.970 -7.656 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.396 -9.566 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.155 -8.966 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.722 -8.179 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.027 -8.118 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.836 -10.679 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.777 -10.594 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.057 -11.020 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.556 -9.510 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.582 -9.593 -0.165 1.00 0.00 H new ATOM 321 N GLN A 22 -11.520 -4.100 -2.552 1.00 0.00 N ATOM 322 CA GLN A 22 -11.556 -2.758 -3.124 1.00 0.00 C ATOM 323 C GLN A 22 -10.709 -2.677 -4.390 1.00 0.00 C ATOM 324 O GLN A 22 -9.820 -3.502 -4.611 1.00 0.00 O ATOM 325 CB GLN A 22 -11.064 -1.727 -2.104 1.00 0.00 C ATOM 326 CG GLN A 22 -12.163 -1.184 -1.206 1.00 0.00 C ATOM 327 CD GLN A 22 -13.301 -0.545 -1.984 1.00 0.00 C ATOM 328 OE1 GLN A 22 -14.294 -1.198 -2.302 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.162 0.740 -2.294 1.00 0.00 N ATOM 0 H GLN A 22 -11.017 -4.166 -1.667 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.591 -2.536 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.292 -2.182 -1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.598 -0.897 -2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.558 -1.994 -0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.737 -0.448 -0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.322 1.245 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.895 1.221 -2.815 1.00 0.00 H new ATOM 338 N THR A 23 -10.991 -1.676 -5.218 1.00 0.00 N ATOM 339 CA THR A 23 -10.258 -1.486 -6.464 1.00 0.00 C ATOM 340 C THR A 23 -9.219 -0.375 -6.323 1.00 0.00 C ATOM 341 O THR A 23 -8.022 -0.651 -6.275 1.00 0.00 O ATOM 342 CB THR A 23 -11.229 -1.174 -7.611 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.078 -0.088 -7.274 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.113 -2.347 -7.980 1.00 0.00 C ATOM 0 H THR A 23 -11.721 -0.985 -5.048 1.00 0.00 H new ATOM 0 HA THR A 23 -9.731 -2.412 -6.695 1.00 0.00 H new ATOM 0 HB THR A 23 -10.596 -0.929 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.687 0.095 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.776 -2.061 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.492 -3.186 -8.294 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.709 -2.640 -7.115 1.00 0.00 H new ATOM 352 N SER A 24 -9.678 0.876 -6.251 1.00 0.00 N ATOM 353 CA SER A 24 -8.778 2.020 -6.114 1.00 0.00 C ATOM 354 C SER A 24 -9.359 3.072 -5.170 1.00 0.00 C ATOM 355 O SER A 24 -10.558 3.064 -4.883 1.00 0.00 O ATOM 356 CB SER A 24 -8.497 2.642 -7.487 1.00 0.00 C ATOM 357 OG SER A 24 -9.647 3.291 -8.003 1.00 0.00 O ATOM 0 H SER A 24 -10.667 1.121 -6.285 1.00 0.00 H new ATOM 0 HA SER A 24 -7.842 1.661 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.679 3.358 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.172 1.866 -8.181 1.00 0.00 H new ATOM 0 HG SER A 24 -9.438 3.680 -8.878 1.00 0.00 H new ATOM 363 N LEU A 25 -8.501 3.976 -4.691 1.00 0.00 N ATOM 364 CA LEU A 25 -8.927 5.034 -3.778 1.00 0.00 C ATOM 365 C LEU A 25 -8.059 6.283 -3.934 1.00 0.00 C ATOM 366 O LEU A 25 -6.932 6.212 -4.430 1.00 0.00 O ATOM 367 CB LEU A 25 -8.868 4.540 -2.328 1.00 0.00 C ATOM 368 CG LEU A 25 -10.185 4.628 -1.554 1.00 0.00 C ATOM 369 CD1 LEU A 25 -11.158 3.558 -2.025 1.00 0.00 C ATOM 370 CD2 LEU A 25 -9.934 4.498 -0.059 1.00 0.00 C ATOM 0 H LEU A 25 -7.508 3.995 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.955 5.297 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.534 3.502 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.113 5.118 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.630 5.604 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.088 3.638 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.364 3.695 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.721 2.573 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.881 4.563 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.465 3.536 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.276 5.302 0.271 1.00 0.00 H new ATOM 382 N GLN A 26 -8.595 7.428 -3.505 1.00 0.00 N ATOM 383 CA GLN A 26 -7.880 8.696 -3.590 1.00 0.00 C ATOM 384 C GLN A 26 -7.969 9.462 -2.273 1.00 0.00 C ATOM 385 O GLN A 26 -8.989 9.411 -1.581 1.00 0.00 O ATOM 386 CB GLN A 26 -8.445 9.544 -4.730 1.00 0.00 C ATOM 387 CG GLN A 26 -8.177 8.968 -6.112 1.00 0.00 C ATOM 388 CD GLN A 26 -8.541 9.932 -7.225 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.693 9.986 -7.660 1.00 0.00 O ATOM 390 NE2 GLN A 26 -7.563 10.697 -7.697 1.00 0.00 N ATOM 0 H GLN A 26 -9.526 7.499 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.830 8.482 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.521 9.650 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.016 10.544 -4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.122 8.705 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.746 8.046 -6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.623 10.621 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.752 11.361 -8.448 1.00 0.00 H new ATOM 399 N LEU A 27 -6.894 10.169 -1.932 1.00 0.00 N ATOM 400 CA LEU A 27 -6.839 10.947 -0.695 1.00 0.00 C ATOM 401 C LEU A 27 -6.351 12.370 -0.965 1.00 0.00 C ATOM 402 O LEU A 27 -5.468 12.584 -1.799 1.00 0.00 O ATOM 403 CB LEU A 27 -5.921 10.262 0.323 1.00 0.00 C ATOM 404 CG LEU A 27 -6.202 8.774 0.558 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.968 8.078 1.114 1.00 0.00 C ATOM 406 CD2 LEU A 27 -7.385 8.594 1.499 1.00 0.00 C ATOM 0 H LEU A 27 -6.046 10.220 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.847 11.002 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.889 10.372 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.006 10.786 1.275 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.452 8.318 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.187 7.022 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.146 8.174 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.687 8.538 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.569 7.531 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.164 9.067 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.271 9.056 1.062 1.00 0.00 H new ATOM 418 N ASP A 28 -6.934 13.340 -0.258 1.00 0.00 N ATOM 419 CA ASP A 28 -6.556 14.744 -0.421 1.00 0.00 C ATOM 420 C ASP A 28 -5.246 15.040 0.308 1.00 0.00 C ATOM 421 O ASP A 28 -5.195 15.039 1.540 1.00 0.00 O ATOM 422 CB ASP A 28 -7.664 15.664 0.099 1.00 0.00 C ATOM 423 CG ASP A 28 -8.683 16.003 -0.971 1.00 0.00 C ATOM 424 OD1 ASP A 28 -8.381 16.858 -1.829 1.00 0.00 O ATOM 425 OD2 ASP A 28 -9.785 15.412 -0.952 1.00 0.00 O ATOM 0 H ASP A 28 -7.668 13.179 0.431 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.413 14.933 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.168 15.183 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.220 16.584 0.479 1.00 0.00 H new ATOM 430 N GLY A 29 -4.187 15.286 -0.465 1.00 0.00 N ATOM 431 CA GLY A 29 -2.884 15.575 0.113 1.00 0.00 C ATOM 432 C GLY A 29 -2.857 16.886 0.877 1.00 0.00 C ATOM 433 O GLY A 29 -3.210 17.934 0.333 1.00 0.00 O ATOM 0 H GLY A 29 -4.210 15.290 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.601 14.763 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.138 15.607 -0.681 1.00 0.00 H new ATOM 437 N VAL A 30 -2.430 16.825 2.142 1.00 0.00 N ATOM 438 CA VAL A 30 -2.350 18.017 2.986 1.00 0.00 C ATOM 439 C VAL A 30 -0.949 18.187 3.580 1.00 0.00 C ATOM 440 O VAL A 30 -0.312 19.222 3.382 1.00 0.00 O ATOM 441 CB VAL A 30 -3.401 18.000 4.127 1.00 0.00 C ATOM 442 CG1 VAL A 30 -4.779 18.351 3.584 1.00 0.00 C ATOM 443 CG2 VAL A 30 -3.440 16.653 4.841 1.00 0.00 C ATOM 0 H VAL A 30 -2.135 15.964 2.602 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.567 18.866 2.337 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.104 18.752 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.505 18.335 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.753 19.346 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.067 17.623 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.188 16.682 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.697 15.870 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.462 16.442 5.274 1.00 0.00 H new ATOM 453 N VAL A 31 -0.470 17.164 4.297 1.00 0.00 N ATOM 454 CA VAL A 31 0.862 17.202 4.910 1.00 0.00 C ATOM 455 C VAL A 31 1.456 15.792 5.034 1.00 0.00 C ATOM 456 O VAL A 31 1.717 15.311 6.140 1.00 0.00 O ATOM 457 CB VAL A 31 0.834 17.869 6.308 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.553 19.361 6.192 1.00 0.00 C ATOM 459 CG2 VAL A 31 -0.189 17.196 7.217 1.00 0.00 C ATOM 0 H VAL A 31 -0.985 16.300 4.467 1.00 0.00 H new ATOM 0 HA VAL A 31 1.491 17.801 4.251 1.00 0.00 H new ATOM 0 HB VAL A 31 1.819 17.742 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.538 19.807 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.333 19.833 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.414 19.513 5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.187 17.685 8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.181 17.278 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.068 16.144 7.338 1.00 0.00 H new ATOM 469 N PRO A 32 1.685 15.106 3.897 1.00 0.00 N ATOM 470 CA PRO A 32 2.251 13.751 3.881 1.00 0.00 C ATOM 471 C PRO A 32 3.750 13.719 4.194 1.00 0.00 C ATOM 472 O PRO A 32 4.351 12.644 4.229 1.00 0.00 O ATOM 473 CB PRO A 32 1.998 13.261 2.446 1.00 0.00 C ATOM 474 CG PRO A 32 1.145 14.304 1.799 1.00 0.00 C ATOM 475 CD PRO A 32 1.416 15.582 2.536 1.00 0.00 C ATOM 0 HA PRO A 32 1.793 13.128 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.936 13.134 1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.497 12.293 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.389 14.405 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.090 14.036 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.267 16.120 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.563 16.259 2.503 1.00 0.00 H new ATOM 483 N THR A 33 4.348 14.891 4.426 1.00 0.00 N ATOM 484 CA THR A 33 5.773 14.980 4.744 1.00 0.00 C ATOM 485 C THR A 33 6.121 14.109 5.954 1.00 0.00 C ATOM 486 O THR A 33 7.197 13.513 6.009 1.00 0.00 O ATOM 487 CB THR A 33 6.164 16.436 5.011 1.00 0.00 C ATOM 488 OG1 THR A 33 5.902 17.241 3.874 1.00 0.00 O ATOM 489 CG2 THR A 33 7.624 16.611 5.363 1.00 0.00 C ATOM 0 H THR A 33 3.867 15.790 4.399 1.00 0.00 H new ATOM 0 HA THR A 33 6.337 14.612 3.887 1.00 0.00 H new ATOM 0 HB THR A 33 5.561 16.743 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.156 18.168 4.064 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.832 17.666 5.539 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.852 16.041 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.242 16.252 4.540 1.00 0.00 H new ATOM 497 N GLY A 34 5.196 14.032 6.916 1.00 0.00 N ATOM 498 CA GLY A 34 5.413 13.223 8.105 1.00 0.00 C ATOM 499 C GLY A 34 4.844 11.815 7.976 1.00 0.00 C ATOM 500 O GLY A 34 4.452 11.207 8.974 1.00 0.00 O ATOM 0 H GLY A 34 4.300 14.518 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.483 13.160 8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.956 13.717 8.963 1.00 0.00 H new ATOM 504 N THR A 35 4.799 11.294 6.744 1.00 0.00 N ATOM 505 CA THR A 35 4.273 9.953 6.487 1.00 0.00 C ATOM 506 C THR A 35 5.001 9.299 5.309 1.00 0.00 C ATOM 507 O THR A 35 5.469 9.985 4.398 1.00 0.00 O ATOM 508 CB THR A 35 2.768 10.016 6.200 1.00 0.00 C ATOM 509 OG1 THR A 35 2.088 10.743 7.212 1.00 0.00 O ATOM 510 CG2 THR A 35 2.114 8.654 6.102 1.00 0.00 C ATOM 0 H THR A 35 5.122 11.784 5.910 1.00 0.00 H new ATOM 0 HA THR A 35 4.440 9.348 7.378 1.00 0.00 H new ATOM 0 HB THR A 35 2.686 10.512 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.130 10.771 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.050 8.775 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.576 8.086 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.244 8.119 7.043 1.00 0.00 H new ATOM 518 N ASN A 36 5.090 7.969 5.333 1.00 0.00 N ATOM 519 CA ASN A 36 5.757 7.219 4.269 1.00 0.00 C ATOM 520 C ASN A 36 5.008 5.921 3.959 1.00 0.00 C ATOM 521 O ASN A 36 3.904 5.701 4.461 1.00 0.00 O ATOM 522 CB ASN A 36 7.213 6.920 4.663 1.00 0.00 C ATOM 523 CG ASN A 36 7.330 6.149 5.970 1.00 0.00 C ATOM 524 OD1 ASN A 36 6.589 5.199 6.215 1.00 0.00 O ATOM 525 ND2 ASN A 36 8.271 6.556 6.816 1.00 0.00 N ATOM 0 H ASN A 36 4.708 7.388 6.079 1.00 0.00 H new ATOM 0 HA ASN A 36 5.755 7.831 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.689 6.348 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.760 7.859 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.399 6.075 7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.865 7.349 6.575 1.00 0.00 H new ATOM 532 N LEU A 37 5.609 5.067 3.124 1.00 0.00 N ATOM 533 CA LEU A 37 4.997 3.795 2.744 1.00 0.00 C ATOM 534 C LEU A 37 4.621 2.970 3.967 1.00 0.00 C ATOM 535 O LEU A 37 3.536 2.393 4.016 1.00 0.00 O ATOM 536 CB LEU A 37 5.940 2.991 1.849 1.00 0.00 C ATOM 537 CG LEU A 37 5.300 1.786 1.155 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.882 1.605 -0.237 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.488 0.525 1.991 1.00 0.00 C ATOM 0 H LEU A 37 6.521 5.237 2.699 1.00 0.00 H new ATOM 0 HA LEU A 37 4.085 4.024 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.349 3.655 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.779 2.642 2.451 1.00 0.00 H new ATOM 0 HG LEU A 37 4.230 1.970 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.416 0.744 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.690 2.499 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.957 1.442 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.027 -0.321 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.552 0.332 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.019 0.661 2.966 1.00 0.00 H new ATOM 551 N ASN A 38 5.513 2.931 4.958 1.00 0.00 N ATOM 552 CA ASN A 38 5.253 2.187 6.187 1.00 0.00 C ATOM 553 C ASN A 38 3.946 2.666 6.814 1.00 0.00 C ATOM 554 O ASN A 38 3.163 1.868 7.329 1.00 0.00 O ATOM 555 CB ASN A 38 6.406 2.356 7.181 1.00 0.00 C ATOM 556 CG ASN A 38 6.985 1.025 7.628 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.195 0.124 6.817 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.246 0.894 8.924 1.00 0.00 N ATOM 0 H ASN A 38 6.416 3.404 4.932 1.00 0.00 H new ATOM 0 HA ASN A 38 5.168 1.129 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.192 2.956 6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.053 2.907 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.636 0.021 9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.057 1.666 9.563 1.00 0.00 H new ATOM 565 N GLY A 39 3.713 3.977 6.739 1.00 0.00 N ATOM 566 CA GLY A 39 2.494 4.549 7.270 1.00 0.00 C ATOM 567 C GLY A 39 1.288 4.225 6.406 1.00 0.00 C ATOM 568 O GLY A 39 0.182 4.070 6.919 1.00 0.00 O ATOM 0 H GLY A 39 4.352 4.651 6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.328 4.174 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.605 5.631 7.346 1.00 0.00 H new ATOM 572 N LEU A 40 1.501 4.109 5.088 1.00 0.00 N ATOM 573 CA LEU A 40 0.415 3.789 4.159 1.00 0.00 C ATOM 574 C LEU A 40 -0.100 2.371 4.406 1.00 0.00 C ATOM 575 O LEU A 40 -1.294 2.164 4.622 1.00 0.00 O ATOM 576 CB LEU A 40 0.875 3.922 2.703 1.00 0.00 C ATOM 577 CG LEU A 40 1.430 5.293 2.307 1.00 0.00 C ATOM 578 CD1 LEU A 40 2.222 5.186 1.010 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.302 6.308 2.167 1.00 0.00 C ATOM 0 H LEU A 40 2.412 4.232 4.645 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.391 4.501 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.642 3.171 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.032 3.689 2.052 1.00 0.00 H new ATOM 0 HG LEU A 40 2.100 5.638 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.611 6.168 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.051 4.492 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.571 4.822 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.716 7.276 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.395 5.974 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.224 6.401 3.117 1.00 0.00 H new ATOM 591 N VAL A 41 0.815 1.400 4.373 1.00 0.00 N ATOM 592 CA VAL A 41 0.452 0.000 4.596 1.00 0.00 C ATOM 593 C VAL A 41 -0.173 -0.187 5.975 1.00 0.00 C ATOM 594 O VAL A 41 -1.310 -0.639 6.084 1.00 0.00 O ATOM 595 CB VAL A 41 1.655 -0.965 4.443 1.00 0.00 C ATOM 596 CG1 VAL A 41 1.847 -1.346 2.984 1.00 0.00 C ATOM 597 CG2 VAL A 41 2.939 -0.371 5.018 1.00 0.00 C ATOM 0 H VAL A 41 1.807 1.556 4.195 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.275 -0.250 3.824 1.00 0.00 H new ATOM 0 HB VAL A 41 1.429 -1.865 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.696 -2.024 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.948 -1.839 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.036 -0.448 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.757 -1.080 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.177 0.556 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.801 -0.164 6.079 1.00 0.00 H new ATOM 607 N GLN A 42 0.569 0.172 7.023 1.00 0.00 N ATOM 608 CA GLN A 42 0.080 0.053 8.398 1.00 0.00 C ATOM 609 C GLN A 42 -1.309 0.688 8.559 1.00 0.00 C ATOM 610 O GLN A 42 -2.100 0.251 9.393 1.00 0.00 O ATOM 611 CB GLN A 42 1.071 0.706 9.364 1.00 0.00 C ATOM 612 CG GLN A 42 0.836 0.343 10.822 1.00 0.00 C ATOM 613 CD GLN A 42 1.774 1.075 11.761 1.00 0.00 C ATOM 614 OE1 GLN A 42 1.455 2.156 12.255 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.940 0.490 12.012 1.00 0.00 N ATOM 0 H GLN A 42 1.514 0.549 6.946 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.009 -1.008 8.632 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.083 0.413 9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.011 1.789 9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.195 0.575 11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.964 -0.732 10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.164 -0.407 11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.611 0.938 12.636 1.00 0.00 H new ATOM 624 N LEU A 43 -1.597 1.719 7.757 1.00 0.00 N ATOM 625 CA LEU A 43 -2.887 2.407 7.814 1.00 0.00 C ATOM 626 C LEU A 43 -4.020 1.540 7.247 1.00 0.00 C ATOM 627 O LEU A 43 -5.165 1.652 7.687 1.00 0.00 O ATOM 628 CB LEU A 43 -2.811 3.740 7.058 1.00 0.00 C ATOM 629 CG LEU A 43 -4.109 4.553 7.017 1.00 0.00 C ATOM 630 CD1 LEU A 43 -3.851 5.997 7.423 1.00 0.00 C ATOM 631 CD2 LEU A 43 -4.733 4.492 5.629 1.00 0.00 C ATOM 0 H LEU A 43 -0.952 2.094 7.061 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.112 2.600 8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.034 4.353 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.497 3.539 6.034 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.809 4.117 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.785 6.557 7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.450 6.024 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.133 6.445 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.654 5.075 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.036 4.902 4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.957 3.456 5.376 1.00 0.00 H new ATOM 643 N LEU A 44 -3.706 0.682 6.270 1.00 0.00 N ATOM 644 CA LEU A 44 -4.723 -0.183 5.666 1.00 0.00 C ATOM 645 C LEU A 44 -4.727 -1.583 6.285 1.00 0.00 C ATOM 646 O LEU A 44 -5.793 -2.152 6.506 1.00 0.00 O ATOM 647 CB LEU A 44 -4.549 -0.267 4.140 1.00 0.00 C ATOM 648 CG LEU A 44 -3.220 -0.846 3.639 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.283 -2.365 3.571 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.873 -0.265 2.275 1.00 0.00 C ATOM 0 H LEU A 44 -2.768 0.569 5.885 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.690 0.273 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.360 -0.873 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.663 0.735 3.727 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.437 -0.571 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.329 -2.753 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.488 -2.765 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.077 -2.666 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.928 -0.684 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.660 -0.513 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.782 0.818 2.353 1.00 0.00 H new ATOM 662 N LYS A 45 -3.545 -2.145 6.553 1.00 0.00 N ATOM 663 CA LYS A 45 -3.460 -3.484 7.134 1.00 0.00 C ATOM 664 C LYS A 45 -3.521 -3.447 8.665 1.00 0.00 C ATOM 665 O LYS A 45 -4.517 -3.859 9.252 1.00 0.00 O ATOM 666 CB LYS A 45 -2.196 -4.219 6.656 1.00 0.00 C ATOM 667 CG LYS A 45 -0.961 -3.340 6.506 1.00 0.00 C ATOM 668 CD LYS A 45 0.312 -4.096 6.848 1.00 0.00 C ATOM 669 CE LYS A 45 1.378 -3.164 7.410 1.00 0.00 C ATOM 670 NZ LYS A 45 2.756 -3.638 7.102 1.00 0.00 N ATOM 0 H LYS A 45 -2.645 -1.698 6.379 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.330 -4.040 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.971 -5.020 7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.408 -4.689 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.900 -2.969 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.053 -2.469 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.089 -4.877 7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.694 -4.591 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.239 -2.164 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.256 -3.084 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.449 -2.974 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.900 -4.581 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.883 -3.690 6.071 1.00 0.00 H new ATOM 684 N THR A 46 -2.465 -2.956 9.311 1.00 0.00 N ATOM 685 CA THR A 46 -2.431 -2.884 10.776 1.00 0.00 C ATOM 686 C THR A 46 -3.633 -2.109 11.339 1.00 0.00 C ATOM 687 O THR A 46 -4.020 -2.313 12.491 1.00 0.00 O ATOM 688 CB THR A 46 -1.121 -2.243 11.255 1.00 0.00 C ATOM 689 OG1 THR A 46 0.009 -2.982 10.808 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.018 -2.135 12.765 1.00 0.00 C ATOM 0 H THR A 46 -1.626 -2.604 8.850 1.00 0.00 H new ATOM 0 HA THR A 46 -2.487 -3.906 11.151 1.00 0.00 H new ATOM 0 HB THR A 46 -1.131 -1.240 10.828 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.739 -2.886 11.454 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.068 -1.673 13.033 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.838 -1.524 13.143 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.075 -3.130 13.206 1.00 0.00 H new ATOM 698 N ASN A 47 -4.214 -1.220 10.529 1.00 0.00 N ATOM 699 CA ASN A 47 -5.359 -0.420 10.963 1.00 0.00 C ATOM 700 C ASN A 47 -6.693 -1.036 10.525 1.00 0.00 C ATOM 701 O ASN A 47 -7.699 -0.879 11.219 1.00 0.00 O ATOM 702 CB ASN A 47 -5.236 1.009 10.427 1.00 0.00 C ATOM 703 CG ASN A 47 -5.052 2.034 11.531 1.00 0.00 C ATOM 704 OD1 ASN A 47 -5.797 3.011 11.615 1.00 0.00 O ATOM 705 ND2 ASN A 47 -4.054 1.819 12.384 1.00 0.00 N ATOM 0 H ASN A 47 -3.911 -1.037 9.572 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.351 -0.402 12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.391 1.064 9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.129 1.256 9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.882 2.477 13.144 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.461 0.996 12.278 1.00 0.00 H new ATOM 712 N TYR A 48 -6.714 -1.726 9.376 1.00 0.00 N ATOM 713 CA TYR A 48 -7.951 -2.337 8.881 1.00 0.00 C ATOM 714 C TYR A 48 -7.682 -3.567 8.005 1.00 0.00 C ATOM 715 O TYR A 48 -8.102 -3.622 6.846 1.00 0.00 O ATOM 716 CB TYR A 48 -8.769 -1.303 8.097 1.00 0.00 C ATOM 717 CG TYR A 48 -9.895 -0.679 8.892 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.825 -1.469 9.560 1.00 0.00 C ATOM 719 CD2 TYR A 48 -10.032 0.701 8.970 1.00 0.00 C ATOM 720 CE1 TYR A 48 -11.854 -0.900 10.283 1.00 0.00 C ATOM 721 CE2 TYR A 48 -11.059 1.277 9.691 1.00 0.00 C ATOM 722 CZ TYR A 48 -11.969 0.473 10.345 1.00 0.00 C ATOM 723 OH TYR A 48 -12.993 1.045 11.064 1.00 0.00 O ATOM 0 H TYR A 48 -5.899 -1.873 8.780 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.518 -2.674 9.749 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.102 -0.514 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.185 -1.781 7.210 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.741 -2.545 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.323 1.334 8.458 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.566 -1.527 10.798 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.149 2.352 9.743 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.928 2.021 11.006 1.00 0.00 H new ATOM 733 N VAL A 49 -6.990 -4.559 8.565 1.00 0.00 N ATOM 734 CA VAL A 49 -6.682 -5.788 7.832 1.00 0.00 C ATOM 735 C VAL A 49 -7.771 -6.835 8.056 1.00 0.00 C ATOM 736 O VAL A 49 -7.952 -7.331 9.170 1.00 0.00 O ATOM 737 CB VAL A 49 -5.300 -6.374 8.224 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.225 -6.675 9.717 1.00 0.00 C ATOM 739 CG2 VAL A 49 -4.992 -7.621 7.406 1.00 0.00 C ATOM 0 H VAL A 49 -6.633 -4.537 9.520 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.644 -5.525 6.775 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.545 -5.620 8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.244 -7.084 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.383 -5.756 10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.995 -7.400 9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.018 -8.016 7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.758 -8.374 7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.979 -7.367 6.346 1.00 0.00 H new ATOM 749 N LYS A 50 -8.497 -7.161 6.989 1.00 0.00 N ATOM 750 CA LYS A 50 -9.570 -8.147 7.068 1.00 0.00 C ATOM 751 C LYS A 50 -9.064 -9.532 6.666 1.00 0.00 C ATOM 752 O LYS A 50 -9.683 -10.226 5.858 1.00 0.00 O ATOM 753 CB LYS A 50 -10.749 -7.716 6.190 1.00 0.00 C ATOM 754 CG LYS A 50 -11.891 -7.099 6.980 1.00 0.00 C ATOM 755 CD LYS A 50 -13.239 -7.620 6.513 1.00 0.00 C ATOM 756 CE LYS A 50 -14.145 -7.935 7.692 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.587 -7.910 7.316 1.00 0.00 N ATOM 0 H LYS A 50 -8.362 -6.757 6.062 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.914 -8.206 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.398 -6.997 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.121 -8.582 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.762 -7.320 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.863 -6.014 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.716 -6.879 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.096 -8.517 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.892 -8.918 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.966 -7.213 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.167 -8.130 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.837 -6.965 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.765 -8.617 6.574 1.00 0.00 H new ATOM 771 N GLU A 51 -7.930 -9.922 7.251 1.00 0.00 N ATOM 772 CA GLU A 51 -7.309 -11.219 6.984 1.00 0.00 C ATOM 773 C GLU A 51 -6.055 -11.394 7.844 1.00 0.00 C ATOM 774 O GLU A 51 -5.757 -10.546 8.687 1.00 0.00 O ATOM 775 CB GLU A 51 -6.958 -11.355 5.495 1.00 0.00 C ATOM 776 CG GLU A 51 -7.308 -12.714 4.906 1.00 0.00 C ATOM 777 CD GLU A 51 -8.804 -12.917 4.748 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.340 -12.567 3.677 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.438 -13.429 5.696 1.00 0.00 O ATOM 0 H GLU A 51 -7.418 -9.349 7.921 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.022 -12.002 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.482 -10.580 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.891 -11.176 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.827 -12.819 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.905 -13.498 5.547 1.00 0.00 H new ATOM 786 N ARG A 52 -5.326 -12.491 7.634 1.00 0.00 N ATOM 787 CA ARG A 52 -4.109 -12.759 8.400 1.00 0.00 C ATOM 788 C ARG A 52 -3.060 -11.672 8.160 1.00 0.00 C ATOM 789 O ARG A 52 -2.501 -11.574 7.069 1.00 0.00 O ATOM 790 CB ARG A 52 -3.526 -14.130 8.035 1.00 0.00 C ATOM 791 CG ARG A 52 -4.335 -15.309 8.558 1.00 0.00 C ATOM 792 CD ARG A 52 -4.195 -15.463 10.065 1.00 0.00 C ATOM 793 NE ARG A 52 -3.865 -16.838 10.449 1.00 0.00 N ATOM 794 CZ ARG A 52 -4.724 -17.859 10.393 1.00 0.00 C ATOM 795 NH1 ARG A 52 -5.967 -17.673 9.950 1.00 0.00 N ATOM 796 NH2 ARG A 52 -4.339 -19.073 10.776 1.00 0.00 N ATOM 0 H ARG A 52 -5.556 -13.205 6.943 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.378 -12.759 9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.454 -14.205 6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.511 -14.197 8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.386 -15.171 8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.004 -16.224 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.419 -14.789 10.427 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.126 -15.165 10.548 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.919 -17.027 10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.268 -16.746 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.617 -18.458 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.388 -19.224 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.995 -19.853 10.733 1.00 0.00 H new ATOM 810 N PRO A 53 -2.767 -10.838 9.179 1.00 0.00 N ATOM 811 CA PRO A 53 -1.770 -9.767 9.054 1.00 0.00 C ATOM 812 C PRO A 53 -0.375 -10.301 8.725 1.00 0.00 C ATOM 813 O PRO A 53 0.448 -9.589 8.149 1.00 0.00 O ATOM 814 CB PRO A 53 -1.769 -9.095 10.433 1.00 0.00 C ATOM 815 CG PRO A 53 -2.394 -10.087 11.354 1.00 0.00 C ATOM 816 CD PRO A 53 -3.368 -10.874 10.524 1.00 0.00 C ATOM 0 HA PRO A 53 -2.018 -9.088 8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.756 -8.848 10.750 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.334 -8.163 10.417 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.640 -10.740 11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.901 -9.587 12.179 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.476 -11.895 10.890 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.361 -10.425 10.534 1.00 0.00 H new ATOM 824 N ASP A 54 -0.115 -11.559 9.092 1.00 0.00 N ATOM 825 CA ASP A 54 1.181 -12.183 8.832 1.00 0.00 C ATOM 826 C ASP A 54 1.205 -12.936 7.495 1.00 0.00 C ATOM 827 O ASP A 54 2.179 -13.633 7.197 1.00 0.00 O ATOM 828 CB ASP A 54 1.544 -13.135 9.973 1.00 0.00 C ATOM 829 CG ASP A 54 2.660 -12.592 10.841 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.428 -11.587 11.546 1.00 0.00 O ATOM 831 OD2 ASP A 54 3.768 -13.167 10.814 1.00 0.00 O ATOM 0 H ASP A 54 -0.785 -12.163 9.569 1.00 0.00 H new ATOM 0 HA ASP A 54 1.919 -11.384 8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.662 -13.314 10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.844 -14.097 9.559 1.00 0.00 H new ATOM 836 N LEU A 55 0.149 -12.798 6.687 1.00 0.00 N ATOM 837 CA LEU A 55 0.095 -13.473 5.392 1.00 0.00 C ATOM 838 C LEU A 55 0.700 -12.607 4.283 1.00 0.00 C ATOM 839 O LEU A 55 1.099 -13.125 3.238 1.00 0.00 O ATOM 840 CB LEU A 55 -1.353 -13.860 5.041 1.00 0.00 C ATOM 841 CG LEU A 55 -2.234 -12.735 4.479 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.030 -12.583 2.980 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.700 -13.003 4.783 1.00 0.00 C ATOM 0 H LEU A 55 -0.670 -12.231 6.906 1.00 0.00 H new ATOM 0 HA LEU A 55 0.691 -14.382 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.325 -14.670 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.830 -14.254 5.938 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.939 -11.804 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.665 -11.780 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.986 -12.344 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.293 -13.516 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.309 -12.195 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.999 -13.947 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.844 -13.059 5.862 1.00 0.00 H new ATOM 855 N LEU A 56 0.767 -11.292 4.510 1.00 0.00 N ATOM 856 CA LEU A 56 1.323 -10.374 3.516 1.00 0.00 C ATOM 857 C LEU A 56 2.756 -9.979 3.848 1.00 0.00 C ATOM 858 O LEU A 56 3.622 -10.022 2.982 1.00 0.00 O ATOM 859 CB LEU A 56 0.468 -9.107 3.375 1.00 0.00 C ATOM 860 CG LEU A 56 -0.172 -8.576 4.664 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.405 -7.077 4.562 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.478 -9.302 4.957 1.00 0.00 C ATOM 0 H LEU A 56 0.445 -10.843 5.368 1.00 0.00 H new ATOM 0 HA LEU A 56 1.319 -10.912 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.090 -8.319 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.326 -9.307 2.655 1.00 0.00 H new ATOM 0 HG LEU A 56 0.514 -8.764 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.860 -6.716 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.547 -6.571 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.070 -6.868 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.914 -8.909 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.173 -9.149 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.283 -10.368 5.075 1.00 0.00 H new ATOM 874 N VAL A 57 3.001 -9.578 5.094 1.00 0.00 N ATOM 875 CA VAL A 57 4.341 -9.162 5.513 1.00 0.00 C ATOM 876 C VAL A 57 5.382 -10.241 5.226 1.00 0.00 C ATOM 877 O VAL A 57 5.073 -11.435 5.209 1.00 0.00 O ATOM 878 CB VAL A 57 4.402 -8.804 7.010 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.850 -7.406 7.246 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.662 -9.840 7.844 1.00 0.00 C ATOM 0 H VAL A 57 2.295 -9.532 5.828 1.00 0.00 H new ATOM 0 HA VAL A 57 4.568 -8.271 4.928 1.00 0.00 H new ATOM 0 HB VAL A 57 5.445 -8.811 7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.901 -7.169 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.441 -6.682 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.813 -7.364 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.718 -9.567 8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.618 -9.878 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.119 -10.819 7.698 1.00 0.00 H new ATOM 890 N ASP A 58 6.615 -9.802 4.999 1.00 0.00 N ATOM 891 CA ASP A 58 7.721 -10.711 4.708 1.00 0.00 C ATOM 892 C ASP A 58 8.100 -11.532 5.940 1.00 0.00 C ATOM 893 O ASP A 58 8.072 -12.762 5.905 1.00 0.00 O ATOM 894 CB ASP A 58 8.935 -9.923 4.204 1.00 0.00 C ATOM 895 CG ASP A 58 9.977 -10.815 3.558 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.658 -11.459 2.534 1.00 0.00 O ATOM 897 OD2 ASP A 58 11.111 -10.871 4.076 1.00 0.00 O ATOM 0 H ASP A 58 6.876 -8.816 5.011 1.00 0.00 H new ATOM 0 HA ASP A 58 7.395 -11.401 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.605 -9.174 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.387 -9.386 5.038 1.00 0.00 H new ATOM 902 N GLN A 59 8.445 -10.841 7.031 1.00 0.00 N ATOM 903 CA GLN A 59 8.819 -11.509 8.279 1.00 0.00 C ATOM 904 C GLN A 59 8.957 -10.510 9.427 1.00 0.00 C ATOM 905 O GLN A 59 8.472 -10.757 10.532 1.00 0.00 O ATOM 906 CB GLN A 59 10.127 -12.290 8.109 1.00 0.00 C ATOM 907 CG GLN A 59 10.429 -13.228 9.269 1.00 0.00 C ATOM 908 CD GLN A 59 10.948 -14.579 8.814 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.381 -15.205 7.917 1.00 0.00 O ATOM 910 NE2 GLN A 59 12.027 -15.042 9.434 1.00 0.00 N ATOM 0 H GLN A 59 8.473 -9.822 7.074 1.00 0.00 H new ATOM 0 HA GLN A 59 8.019 -12.207 8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.078 -12.869 7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.951 -11.584 7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 59 11.166 -12.763 9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.524 -13.372 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.467 -14.492 10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.416 -15.948 9.172 1.00 0.00 H new ATOM 919 N THR A 60 9.618 -9.383 9.159 1.00 0.00 N ATOM 920 CA THR A 60 9.817 -8.345 10.170 1.00 0.00 C ATOM 921 C THR A 60 8.585 -7.432 10.296 1.00 0.00 C ATOM 922 O THR A 60 8.630 -6.419 10.995 1.00 0.00 O ATOM 923 CB THR A 60 11.074 -7.522 9.837 1.00 0.00 C ATOM 924 OG1 THR A 60 11.288 -6.493 10.791 1.00 0.00 O ATOM 925 CG2 THR A 60 11.031 -6.868 8.469 1.00 0.00 C ATOM 0 H THR A 60 10.025 -9.166 8.249 1.00 0.00 H new ATOM 0 HA THR A 60 9.957 -8.834 11.134 1.00 0.00 H new ATOM 0 HB THR A 60 11.886 -8.249 9.853 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.425 -6.187 11.142 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.950 -6.306 8.306 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.934 -7.636 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.178 -6.192 8.416 1.00 0.00 H new ATOM 933 N GLY A 61 7.484 -7.791 9.618 1.00 0.00 N ATOM 934 CA GLY A 61 6.273 -6.986 9.677 1.00 0.00 C ATOM 935 C GLY A 61 6.490 -5.563 9.188 1.00 0.00 C ATOM 936 O GLY A 61 5.756 -4.649 9.567 1.00 0.00 O ATOM 0 H GLY A 61 7.415 -8.623 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.498 -7.459 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.908 -6.961 10.704 1.00 0.00 H new ATOM 940 N GLN A 62 7.506 -5.382 8.343 1.00 0.00 N ATOM 941 CA GLN A 62 7.838 -4.067 7.793 1.00 0.00 C ATOM 942 C GLN A 62 7.641 -4.059 6.279 1.00 0.00 C ATOM 943 O GLN A 62 7.018 -3.151 5.729 1.00 0.00 O ATOM 944 CB GLN A 62 9.287 -3.708 8.142 1.00 0.00 C ATOM 945 CG GLN A 62 9.544 -2.211 8.244 1.00 0.00 C ATOM 946 CD GLN A 62 10.438 -1.853 9.418 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.652 -2.050 9.371 1.00 0.00 O ATOM 948 NE2 GLN A 62 9.841 -1.324 10.483 1.00 0.00 N ATOM 0 H GLN A 62 8.116 -6.134 8.023 1.00 0.00 H new ATOM 0 HA GLN A 62 7.173 -3.323 8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.549 -4.177 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.948 -4.129 7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.005 -1.861 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.593 -1.688 8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.832 -1.177 10.481 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.393 -1.065 11.301 1.00 0.00 H new ATOM 957 N THR A 63 8.167 -5.090 5.619 1.00 0.00 N ATOM 958 CA THR A 63 8.045 -5.230 4.172 1.00 0.00 C ATOM 959 C THR A 63 7.024 -6.315 3.839 1.00 0.00 C ATOM 960 O THR A 63 6.663 -7.118 4.701 1.00 0.00 O ATOM 961 CB THR A 63 9.403 -5.574 3.546 1.00 0.00 C ATOM 962 OG1 THR A 63 9.839 -6.862 3.953 1.00 0.00 O ATOM 963 CG2 THR A 63 10.498 -4.586 3.899 1.00 0.00 C ATOM 0 H THR A 63 8.685 -5.845 6.069 1.00 0.00 H new ATOM 0 HA THR A 63 7.706 -4.280 3.758 1.00 0.00 H new ATOM 0 HB THR A 63 9.236 -5.537 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.705 -7.060 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.430 -4.891 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.219 -3.593 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.633 -4.564 4.980 1.00 0.00 H new ATOM 971 N LEU A 64 6.560 -6.337 2.593 1.00 0.00 N ATOM 972 CA LEU A 64 5.583 -7.332 2.164 1.00 0.00 C ATOM 973 C LEU A 64 6.260 -8.482 1.423 1.00 0.00 C ATOM 974 O LEU A 64 7.321 -8.308 0.820 1.00 0.00 O ATOM 975 CB LEU A 64 4.521 -6.694 1.263 1.00 0.00 C ATOM 976 CG LEU A 64 3.396 -5.941 1.987 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.188 -5.804 1.074 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.005 -6.647 3.279 1.00 0.00 C ATOM 0 H LEU A 64 6.843 -5.680 1.866 1.00 0.00 H new ATOM 0 HA LEU A 64 5.101 -7.728 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.017 -6.002 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.073 -7.477 0.651 1.00 0.00 H new ATOM 0 HG LEU A 64 3.762 -4.947 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.396 -5.269 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.470 -5.251 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.831 -6.794 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.206 -6.091 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.659 -7.655 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.870 -6.700 3.940 1.00 0.00 H new ATOM 990 N ARG A 65 5.637 -9.658 1.476 1.00 0.00 N ATOM 991 CA ARG A 65 6.169 -10.852 0.811 1.00 0.00 C ATOM 992 C ARG A 65 6.368 -10.613 -0.689 1.00 0.00 C ATOM 993 O ARG A 65 5.613 -9.861 -1.311 1.00 0.00 O ATOM 994 CB ARG A 65 5.240 -12.054 1.028 1.00 0.00 C ATOM 995 CG ARG A 65 3.770 -11.764 0.742 1.00 0.00 C ATOM 996 CD ARG A 65 3.257 -12.548 -0.457 1.00 0.00 C ATOM 997 NE ARG A 65 3.299 -13.995 -0.238 1.00 0.00 N ATOM 998 CZ ARG A 65 2.550 -14.873 -0.910 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.675 -14.455 -1.822 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.669 -16.175 -0.665 1.00 0.00 N ATOM 0 H ARG A 65 4.760 -9.812 1.974 1.00 0.00 H new ATOM 0 HA ARG A 65 7.140 -11.068 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.569 -12.874 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.338 -12.394 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.174 -12.013 1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.640 -10.697 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.232 -12.246 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.855 -12.299 -1.333 1.00 0.00 H new ATOM 0 HE ARG A 65 3.939 -14.354 0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.573 -13.458 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.107 -15.132 -2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.333 -16.503 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.097 -16.845 -1.179 1.00 0.00 H new ATOM 1014 N PRO A 66 7.391 -11.262 -1.286 1.00 0.00 N ATOM 1015 CA PRO A 66 7.703 -11.136 -2.720 1.00 0.00 C ATOM 1016 C PRO A 66 6.489 -11.340 -3.623 1.00 0.00 C ATOM 1017 O PRO A 66 6.399 -10.729 -4.690 1.00 0.00 O ATOM 1018 CB PRO A 66 8.726 -12.245 -2.957 1.00 0.00 C ATOM 1019 CG PRO A 66 9.391 -12.430 -1.640 1.00 0.00 C ATOM 1020 CD PRO A 66 8.330 -12.177 -0.604 1.00 0.00 C ATOM 0 HA PRO A 66 8.060 -10.135 -2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.244 -13.164 -3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.444 -11.964 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.797 -13.437 -1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.225 -11.738 -1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.839 -13.101 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.748 -11.726 0.296 1.00 0.00 H new ATOM 1028 N GLY A 67 5.565 -12.201 -3.190 1.00 0.00 N ATOM 1029 CA GLY A 67 4.363 -12.476 -3.965 1.00 0.00 C ATOM 1030 C GLY A 67 3.705 -11.217 -4.510 1.00 0.00 C ATOM 1031 O GLY A 67 3.222 -11.211 -5.642 1.00 0.00 O ATOM 0 H GLY A 67 5.629 -12.715 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.616 -13.135 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.649 -13.011 -3.339 1.00 0.00 H new ATOM 1035 N ILE A 68 3.692 -10.146 -3.711 1.00 0.00 N ATOM 1036 CA ILE A 68 3.093 -8.880 -4.136 1.00 0.00 C ATOM 1037 C ILE A 68 4.165 -7.894 -4.601 1.00 0.00 C ATOM 1038 O ILE A 68 5.194 -7.727 -3.944 1.00 0.00 O ATOM 1039 CB ILE A 68 2.275 -8.220 -3.003 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.326 -9.229 -2.352 1.00 0.00 C ATOM 1041 CG2 ILE A 68 1.494 -7.026 -3.532 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.256 -9.092 -0.849 1.00 0.00 C ATOM 0 H ILE A 68 4.088 -10.131 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 68 2.425 -9.118 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 68 2.975 -7.871 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.327 -9.101 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.650 -10.239 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.924 -6.575 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.187 -6.291 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.811 -7.356 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.567 -9.835 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.247 -9.249 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.904 -8.093 -0.591 1.00 0.00 H new ATOM 1054 N LEU A 69 3.907 -7.236 -5.730 1.00 0.00 N ATOM 1055 CA LEU A 69 4.839 -6.256 -6.281 1.00 0.00 C ATOM 1056 C LEU A 69 4.394 -4.838 -5.938 1.00 0.00 C ATOM 1057 O LEU A 69 3.476 -4.298 -6.560 1.00 0.00 O ATOM 1058 CB LEU A 69 4.951 -6.420 -7.802 1.00 0.00 C ATOM 1059 CG LEU A 69 6.351 -6.190 -8.379 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.238 -7.403 -8.142 1.00 0.00 C ATOM 1061 CD2 LEU A 69 6.267 -5.869 -9.865 1.00 0.00 C ATOM 0 H LEU A 69 3.058 -7.365 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 69 5.819 -6.429 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.626 -7.426 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.260 -5.725 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 69 6.798 -5.338 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.227 -7.217 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.325 -7.586 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.798 -8.275 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.270 -5.708 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.799 -6.701 -10.391 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.672 -4.968 -10.009 1.00 0.00 H new ATOM 1073 N VAL A 70 5.046 -4.241 -4.940 1.00 0.00 N ATOM 1074 CA VAL A 70 4.714 -2.882 -4.508 1.00 0.00 C ATOM 1075 C VAL A 70 5.408 -1.838 -5.385 1.00 0.00 C ATOM 1076 O VAL A 70 6.629 -1.871 -5.558 1.00 0.00 O ATOM 1077 CB VAL A 70 5.085 -2.637 -3.025 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.271 -3.540 -2.110 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.577 -2.839 -2.789 1.00 0.00 C ATOM 0 H VAL A 70 5.806 -4.676 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 70 3.634 -2.779 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 70 4.845 -1.600 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.548 -3.351 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.209 -3.334 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.472 -4.583 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.807 -2.660 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.852 -3.861 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.141 -2.141 -3.408 1.00 0.00 H new ATOM 1089 N LEU A 71 4.621 -0.915 -5.941 1.00 0.00 N ATOM 1090 CA LEU A 71 5.158 0.137 -6.804 1.00 0.00 C ATOM 1091 C LEU A 71 4.746 1.522 -6.311 1.00 0.00 C ATOM 1092 O LEU A 71 3.802 1.659 -5.530 1.00 0.00 O ATOM 1093 CB LEU A 71 4.688 -0.051 -8.253 1.00 0.00 C ATOM 1094 CG LEU A 71 4.423 -1.498 -8.685 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.803 -1.528 -10.074 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.711 -2.311 -8.654 1.00 0.00 C ATOM 0 H LEU A 71 3.610 -0.875 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 71 6.245 0.062 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.773 0.524 -8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.440 0.375 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 71 3.721 -1.947 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.620 -2.561 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.860 -0.981 -10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.484 -1.063 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.502 -3.335 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.438 -1.867 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.116 -2.313 -7.642 1.00 0.00 H new ATOM 1108 N VAL A 72 5.463 2.544 -6.778 1.00 0.00 N ATOM 1109 CA VAL A 72 5.188 3.925 -6.398 1.00 0.00 C ATOM 1110 C VAL A 72 5.362 4.864 -7.591 1.00 0.00 C ATOM 1111 O VAL A 72 6.478 5.066 -8.074 1.00 0.00 O ATOM 1112 CB VAL A 72 6.102 4.393 -5.247 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.591 3.865 -3.915 1.00 0.00 C ATOM 1114 CG2 VAL A 72 7.544 3.959 -5.482 1.00 0.00 C ATOM 0 H VAL A 72 6.244 2.437 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 72 4.153 3.959 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 72 6.081 5.482 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.247 4.204 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.581 4.237 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.578 2.775 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.166 4.302 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.591 2.872 -5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.907 4.392 -6.414 1.00 0.00 H new ATOM 1124 N ASN A 73 4.249 5.432 -8.067 1.00 0.00 N ATOM 1125 CA ASN A 73 4.267 6.347 -9.210 1.00 0.00 C ATOM 1126 C ASN A 73 4.905 5.682 -10.431 1.00 0.00 C ATOM 1127 O ASN A 73 5.839 6.220 -11.031 1.00 0.00 O ATOM 1128 CB ASN A 73 5.010 7.643 -8.856 1.00 0.00 C ATOM 1129 CG ASN A 73 4.237 8.509 -7.880 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.038 8.323 -7.686 1.00 0.00 O ATOM 1131 ND2 ASN A 73 4.919 9.465 -7.258 1.00 0.00 N ATOM 0 H ASN A 73 3.321 5.272 -7.675 1.00 0.00 H new ATOM 0 HA ASN A 73 3.235 6.597 -9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.981 7.395 -8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.200 8.210 -9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.448 10.077 -6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.914 9.587 -7.447 1.00 0.00 H new ATOM 1138 N SER A 74 4.390 4.502 -10.789 1.00 0.00 N ATOM 1139 CA SER A 74 4.898 3.742 -11.933 1.00 0.00 C ATOM 1140 C SER A 74 6.391 3.421 -11.777 1.00 0.00 C ATOM 1141 O SER A 74 7.116 3.302 -12.767 1.00 0.00 O ATOM 1142 CB SER A 74 4.651 4.516 -13.233 1.00 0.00 C ATOM 1143 OG SER A 74 3.363 4.236 -13.757 1.00 0.00 O ATOM 0 H SER A 74 3.617 4.051 -10.299 1.00 0.00 H new ATOM 0 HA SER A 74 4.358 2.796 -11.973 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.747 5.586 -13.047 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.411 4.251 -13.968 1.00 0.00 H new ATOM 0 HG SER A 74 3.229 4.743 -14.585 1.00 0.00 H new ATOM 1149 N CYS A 75 6.840 3.272 -10.530 1.00 0.00 N ATOM 1150 CA CYS A 75 8.236 2.957 -10.247 1.00 0.00 C ATOM 1151 C CYS A 75 8.333 2.028 -9.040 1.00 0.00 C ATOM 1152 O CYS A 75 7.723 2.293 -8.006 1.00 0.00 O ATOM 1153 CB CYS A 75 9.032 4.241 -9.982 1.00 0.00 C ATOM 1154 SG CYS A 75 10.812 3.978 -9.802 1.00 0.00 S ATOM 0 H CYS A 75 6.254 3.365 -9.700 1.00 0.00 H new ATOM 0 HA CYS A 75 8.659 2.455 -11.117 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.859 4.939 -10.801 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.651 4.712 -9.076 1.00 0.00 H new ATOM 0 HG CYS A 75 11.399 5.117 -9.584 1.00 0.00 H new ATOM 1160 N ASP A 76 9.094 0.942 -9.177 1.00 0.00 N ATOM 1161 CA ASP A 76 9.261 -0.026 -8.089 1.00 0.00 C ATOM 1162 C ASP A 76 9.530 0.679 -6.761 1.00 0.00 C ATOM 1163 O ASP A 76 10.419 1.527 -6.668 1.00 0.00 O ATOM 1164 CB ASP A 76 10.403 -1.000 -8.400 1.00 0.00 C ATOM 1165 CG ASP A 76 9.908 -2.309 -8.988 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.996 -2.922 -8.392 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.433 -2.722 -10.042 1.00 0.00 O ATOM 0 H ASP A 76 9.605 0.709 -10.029 1.00 0.00 H new ATOM 0 HA ASP A 76 8.330 -0.587 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.096 -0.531 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.961 -1.204 -7.486 1.00 0.00 H new ATOM 1172 N ALA A 77 8.752 0.323 -5.737 1.00 0.00 N ATOM 1173 CA ALA A 77 8.903 0.922 -4.411 1.00 0.00 C ATOM 1174 C ALA A 77 10.278 0.628 -3.809 1.00 0.00 C ATOM 1175 O ALA A 77 10.737 1.351 -2.924 1.00 0.00 O ATOM 1176 CB ALA A 77 7.806 0.430 -3.478 1.00 0.00 C ATOM 0 H ALA A 77 8.012 -0.376 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 77 8.816 2.002 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.933 0.885 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.833 0.707 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.866 -0.654 -3.386 1.00 0.00 H new ATOM 1182 N GLU A 78 10.934 -0.427 -4.297 1.00 0.00 N ATOM 1183 CA GLU A 78 12.255 -0.802 -3.808 1.00 0.00 C ATOM 1184 C GLU A 78 13.316 0.182 -4.296 1.00 0.00 C ATOM 1185 O GLU A 78 14.370 0.322 -3.675 1.00 0.00 O ATOM 1186 CB GLU A 78 12.608 -2.222 -4.259 1.00 0.00 C ATOM 1187 CG GLU A 78 11.659 -3.283 -3.719 1.00 0.00 C ATOM 1188 CD GLU A 78 12.369 -4.367 -2.930 1.00 0.00 C ATOM 1189 OE1 GLU A 78 13.146 -4.025 -2.011 1.00 0.00 O ATOM 1190 OE2 GLU A 78 12.146 -5.560 -3.228 1.00 0.00 O ATOM 0 H GLU A 78 10.569 -1.034 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 78 12.233 -0.772 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.602 -2.261 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.623 -2.455 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.914 -2.806 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.122 -3.739 -4.550 1.00 0.00 H new ATOM 1197 N VAL A 79 13.032 0.862 -5.410 1.00 0.00 N ATOM 1198 CA VAL A 79 13.966 1.828 -5.968 1.00 0.00 C ATOM 1199 C VAL A 79 14.045 3.084 -5.099 1.00 0.00 C ATOM 1200 O VAL A 79 15.134 3.568 -4.792 1.00 0.00 O ATOM 1201 CB VAL A 79 13.583 2.238 -7.407 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.683 3.087 -8.028 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.300 1.011 -8.264 1.00 0.00 C ATOM 0 H VAL A 79 12.165 0.758 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 79 14.939 1.337 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 79 12.671 2.834 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.398 3.368 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.830 3.987 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.611 2.516 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.033 1.326 -9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.189 0.382 -8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.475 0.446 -7.829 1.00 0.00 H new ATOM 1213 N VAL A 80 12.882 3.612 -4.713 1.00 0.00 N ATOM 1214 CA VAL A 80 12.820 4.818 -3.887 1.00 0.00 C ATOM 1215 C VAL A 80 13.320 4.560 -2.462 1.00 0.00 C ATOM 1216 O VAL A 80 14.051 5.378 -1.900 1.00 0.00 O ATOM 1217 CB VAL A 80 11.390 5.397 -3.828 1.00 0.00 C ATOM 1218 CG1 VAL A 80 10.935 5.836 -5.213 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.414 4.388 -3.234 1.00 0.00 C ATOM 0 H VAL A 80 11.972 3.224 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 80 13.477 5.546 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 80 11.405 6.271 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.925 6.242 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.611 6.602 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.942 4.979 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.415 4.822 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.401 3.489 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.728 4.130 -2.222 1.00 0.00 H new ATOM 1229 N GLY A 81 12.923 3.423 -1.884 1.00 0.00 N ATOM 1230 CA GLY A 81 13.347 3.090 -0.531 1.00 0.00 C ATOM 1231 C GLY A 81 12.542 1.964 0.097 1.00 0.00 C ATOM 1232 O GLY A 81 12.223 2.020 1.283 1.00 0.00 O ATOM 0 H GLY A 81 12.319 2.731 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.400 2.808 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.265 3.978 0.096 1.00 0.00 H new ATOM 1236 N GLY A 82 12.220 0.936 -0.694 1.00 0.00 N ATOM 1237 CA GLY A 82 11.454 -0.196 -0.188 1.00 0.00 C ATOM 1238 C GLY A 82 10.147 0.219 0.466 1.00 0.00 C ATOM 1239 O GLY A 82 9.189 0.574 -0.224 1.00 0.00 O ATOM 0 H GLY A 82 12.477 0.868 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.242 -0.881 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.059 -0.743 0.535 1.00 0.00 H new ATOM 1243 N MET A 83 10.113 0.180 1.798 1.00 0.00 N ATOM 1244 CA MET A 83 8.919 0.559 2.553 1.00 0.00 C ATOM 1245 C MET A 83 9.128 1.892 3.283 1.00 0.00 C ATOM 1246 O MET A 83 8.509 2.146 4.318 1.00 0.00 O ATOM 1247 CB MET A 83 8.565 -0.541 3.564 1.00 0.00 C ATOM 1248 CG MET A 83 8.661 -1.950 2.997 1.00 0.00 C ATOM 1249 SD MET A 83 7.345 -2.324 1.824 1.00 0.00 S ATOM 1250 CE MET A 83 5.933 -2.447 2.921 1.00 0.00 C ATOM 0 H MET A 83 10.901 -0.111 2.377 1.00 0.00 H new ATOM 0 HA MET A 83 8.096 0.681 1.849 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.230 -0.459 4.424 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.551 -0.374 3.928 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.626 -2.073 2.505 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.627 -2.669 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.019 -2.249 2.361 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.889 -3.450 3.346 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.032 -1.717 3.724 1.00 0.00 H new ATOM 1260 N ASP A 84 10.008 2.739 2.738 1.00 0.00 N ATOM 1261 CA ASP A 84 10.304 4.037 3.340 1.00 0.00 C ATOM 1262 C ASP A 84 10.025 5.194 2.373 1.00 0.00 C ATOM 1263 O ASP A 84 10.562 6.292 2.542 1.00 0.00 O ATOM 1264 CB ASP A 84 11.771 4.073 3.789 1.00 0.00 C ATOM 1265 CG ASP A 84 11.983 4.914 5.037 1.00 0.00 C ATOM 1266 OD1 ASP A 84 11.203 4.761 6.002 1.00 0.00 O ATOM 1267 OD2 ASP A 84 12.932 5.726 5.048 1.00 0.00 O ATOM 0 H ASP A 84 10.526 2.546 1.881 1.00 0.00 H new ATOM 0 HA ASP A 84 9.648 4.164 4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.113 3.056 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.384 4.470 2.980 1.00 0.00 H new ATOM 1272 N TYR A 85 9.187 4.952 1.361 1.00 0.00 N ATOM 1273 CA TYR A 85 8.850 5.983 0.381 1.00 0.00 C ATOM 1274 C TYR A 85 7.912 7.031 0.978 1.00 0.00 C ATOM 1275 O TYR A 85 6.795 6.712 1.392 1.00 0.00 O ATOM 1276 CB TYR A 85 8.209 5.356 -0.857 1.00 0.00 C ATOM 1277 CG TYR A 85 8.003 6.330 -1.997 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.035 7.154 -2.433 1.00 0.00 C ATOM 1279 CD2 TYR A 85 6.776 6.423 -2.641 1.00 0.00 C ATOM 1280 CE1 TYR A 85 8.849 8.040 -3.477 1.00 0.00 C ATOM 1281 CE2 TYR A 85 6.583 7.305 -3.685 1.00 0.00 C ATOM 1282 CZ TYR A 85 7.620 8.111 -4.101 1.00 0.00 C ATOM 1283 OH TYR A 85 7.431 8.989 -5.143 1.00 0.00 O ATOM 0 H TYR A 85 8.732 4.053 1.201 1.00 0.00 H new ATOM 0 HA TYR A 85 9.776 6.479 0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.836 4.534 -1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.246 4.928 -0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.998 7.101 -1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.959 5.794 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.661 8.673 -3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.622 7.363 -4.174 1.00 0.00 H new ATOM 0 HH TYR A 85 8.277 9.118 -5.620 1.00 0.00 H new ATOM 1293 N VAL A 86 8.372 8.283 1.013 1.00 0.00 N ATOM 1294 CA VAL A 86 7.575 9.383 1.555 1.00 0.00 C ATOM 1295 C VAL A 86 6.524 9.861 0.553 1.00 0.00 C ATOM 1296 O VAL A 86 6.649 9.628 -0.652 1.00 0.00 O ATOM 1297 CB VAL A 86 8.456 10.586 1.966 1.00 0.00 C ATOM 1298 CG1 VAL A 86 9.334 10.231 3.159 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.304 11.067 0.794 1.00 0.00 C ATOM 0 H VAL A 86 9.293 8.560 0.672 1.00 0.00 H new ATOM 0 HA VAL A 86 7.077 8.989 2.441 1.00 0.00 H new ATOM 0 HB VAL A 86 7.796 11.402 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.945 11.092 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.704 9.952 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.982 9.394 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.914 11.913 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.952 10.258 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.653 11.374 -0.024 1.00 0.00 H new ATOM 1309 N LEU A 87 5.493 10.536 1.062 1.00 0.00 N ATOM 1310 CA LEU A 87 4.418 11.057 0.222 1.00 0.00 C ATOM 1311 C LEU A 87 4.469 12.585 0.157 1.00 0.00 C ATOM 1312 O LEU A 87 5.285 13.219 0.829 1.00 0.00 O ATOM 1313 CB LEU A 87 3.056 10.608 0.762 1.00 0.00 C ATOM 1314 CG LEU A 87 2.371 9.503 -0.042 1.00 0.00 C ATOM 1315 CD1 LEU A 87 2.985 8.149 0.281 1.00 0.00 C ATOM 1316 CD2 LEU A 87 0.874 9.496 0.234 1.00 0.00 C ATOM 0 H LEU A 87 5.381 10.735 2.056 1.00 0.00 H new ATOM 0 HA LEU A 87 4.554 10.661 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.185 10.263 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.394 11.473 0.798 1.00 0.00 H new ATOM 0 HG LEU A 87 2.523 9.701 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.485 7.375 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.046 8.162 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.865 7.939 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.401 8.704 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.701 9.322 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.447 10.458 -0.050 1.00 0.00 H new ATOM 1328 N ASN A 88 3.586 13.171 -0.654 1.00 0.00 N ATOM 1329 CA ASN A 88 3.525 14.624 -0.803 1.00 0.00 C ATOM 1330 C ASN A 88 2.269 15.045 -1.563 1.00 0.00 C ATOM 1331 O ASN A 88 1.418 15.757 -1.026 1.00 0.00 O ATOM 1332 CB ASN A 88 4.772 15.141 -1.529 1.00 0.00 C ATOM 1333 CG ASN A 88 5.229 16.491 -1.008 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.778 16.591 0.089 1.00 0.00 O ATOM 1335 ND2 ASN A 88 5.005 17.540 -1.793 1.00 0.00 N ATOM 0 H ASN A 88 2.905 12.661 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 88 3.487 15.061 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.580 14.419 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.562 15.219 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.291 18.472 -1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.547 17.413 -2.695 1.00 0.00 H new ATOM 1342 N ASP A 89 2.164 14.599 -2.816 1.00 0.00 N ATOM 1343 CA ASP A 89 1.018 14.921 -3.666 1.00 0.00 C ATOM 1344 C ASP A 89 1.162 14.252 -5.030 1.00 0.00 C ATOM 1345 O ASP A 89 2.000 14.652 -5.842 1.00 0.00 O ATOM 1346 CB ASP A 89 0.886 16.441 -3.840 1.00 0.00 C ATOM 1347 CG ASP A 89 -0.541 16.940 -3.696 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -1.361 16.243 -3.055 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -0.842 18.030 -4.226 1.00 0.00 O ATOM 0 H ASP A 89 2.864 14.010 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 89 0.117 14.544 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.514 16.940 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.264 16.721 -4.823 1.00 0.00 H new ATOM 1354 N GLY A 90 0.346 13.229 -5.269 1.00 0.00 N ATOM 1355 CA GLY A 90 0.399 12.511 -6.532 1.00 0.00 C ATOM 1356 C GLY A 90 1.056 11.144 -6.411 1.00 0.00 C ATOM 1357 O GLY A 90 1.565 10.613 -7.398 1.00 0.00 O ATOM 0 H GLY A 90 -0.352 12.884 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.613 12.389 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.947 13.108 -7.261 1.00 0.00 H new ATOM 1361 N ASP A 91 1.040 10.567 -5.205 1.00 0.00 N ATOM 1362 CA ASP A 91 1.635 9.251 -4.970 1.00 0.00 C ATOM 1363 C ASP A 91 0.698 8.144 -5.449 1.00 0.00 C ATOM 1364 O ASP A 91 -0.521 8.259 -5.325 1.00 0.00 O ATOM 1365 CB ASP A 91 1.942 9.061 -3.483 1.00 0.00 C ATOM 1366 CG ASP A 91 3.259 8.344 -3.246 1.00 0.00 C ATOM 1367 OD1 ASP A 91 3.337 7.131 -3.544 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.207 8.992 -2.759 1.00 0.00 O ATOM 0 H ASP A 91 0.621 10.992 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 91 2.565 9.194 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.970 10.035 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.135 8.494 -3.019 1.00 0.00 H new ATOM 1373 N THR A 92 1.277 7.073 -5.992 1.00 0.00 N ATOM 1374 CA THR A 92 0.490 5.947 -6.487 1.00 0.00 C ATOM 1375 C THR A 92 1.081 4.619 -6.020 1.00 0.00 C ATOM 1376 O THR A 92 2.076 4.147 -6.572 1.00 0.00 O ATOM 1377 CB THR A 92 0.409 5.969 -8.017 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.302 7.110 -8.467 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.270 4.743 -8.596 1.00 0.00 C ATOM 0 H THR A 92 2.285 6.963 -6.099 1.00 0.00 H new ATOM 0 HA THR A 92 -0.516 6.044 -6.079 1.00 0.00 H new ATOM 0 HB THR A 92 1.443 5.990 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.341 7.106 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.295 4.820 -9.683 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.285 3.850 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.288 4.676 -8.213 1.00 0.00 H new ATOM 1387 N VAL A 93 0.452 4.016 -5.014 1.00 0.00 N ATOM 1388 CA VAL A 93 0.907 2.734 -4.486 1.00 0.00 C ATOM 1389 C VAL A 93 -0.049 1.612 -4.887 1.00 0.00 C ATOM 1390 O VAL A 93 -1.271 1.760 -4.796 1.00 0.00 O ATOM 1391 CB VAL A 93 1.062 2.765 -2.948 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.261 3.090 -2.265 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.624 1.443 -2.447 1.00 0.00 C ATOM 0 H VAL A 93 -0.373 4.395 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 93 1.888 2.542 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 93 1.765 3.558 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.119 3.104 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.612 4.067 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.000 2.332 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.728 1.479 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.947 0.633 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.600 1.268 -2.899 1.00 0.00 H new ATOM 1403 N GLU A 94 0.515 0.493 -5.341 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.287 -0.649 -5.768 1.00 0.00 C ATOM 1405 C GLU A 94 0.290 -1.964 -5.246 1.00 0.00 C ATOM 1406 O GLU A 94 1.501 -2.093 -5.058 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.373 -0.696 -7.297 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.676 0.651 -7.939 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.329 0.690 -9.414 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.831 -0.169 -10.169 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.448 1.584 -9.816 1.00 0.00 O ATOM 0 H GLU A 94 1.522 0.355 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.286 -0.524 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.570 -1.072 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.146 -1.408 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.735 0.878 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.119 1.430 -7.419 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.593 -2.939 -5.028 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.193 -4.256 -4.541 1.00 0.00 C ATOM 1420 C PHE A 95 -0.691 -5.342 -5.492 1.00 0.00 C ATOM 1421 O PHE A 95 -1.879 -5.661 -5.509 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.752 -4.495 -3.135 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.282 -3.492 -2.117 1.00 0.00 C ATOM 1424 CD1 PHE A 95 -0.990 -2.321 -1.901 1.00 0.00 C ATOM 1425 CD2 PHE A 95 0.865 -3.724 -1.375 1.00 0.00 C ATOM 1426 CE1 PHE A 95 -0.559 -1.398 -0.966 1.00 0.00 C ATOM 1427 CE2 PHE A 95 1.299 -2.805 -0.439 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.585 -1.641 -0.234 1.00 0.00 C ATOM 0 H PHE A 95 -1.596 -2.838 -5.183 1.00 0.00 H new ATOM 0 HA PHE A 95 0.895 -4.295 -4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.841 -4.472 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.467 -5.494 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.888 -2.127 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.426 -4.634 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.118 -0.487 -0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.196 -2.997 0.132 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.922 -0.922 0.498 1.00 0.00 H new ATOM 1438 N ILE A 96 0.224 -5.897 -6.290 1.00 0.00 N ATOM 1439 CA ILE A 96 -0.125 -6.942 -7.254 1.00 0.00 C ATOM 1440 C ILE A 96 0.488 -8.284 -6.858 1.00 0.00 C ATOM 1441 O ILE A 96 1.696 -8.485 -6.986 1.00 0.00 O ATOM 1442 CB ILE A 96 0.347 -6.573 -8.681 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -0.078 -5.146 -9.040 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.200 -7.566 -9.701 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.648 -4.584 -10.244 1.00 0.00 C ATOM 0 H ILE A 96 1.211 -5.640 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.212 -7.027 -7.249 1.00 0.00 H new ATOM 0 HB ILE A 96 1.436 -6.622 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.151 -5.133 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.099 -4.496 -8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.143 -7.290 -10.698 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.155 -8.568 -9.460 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.290 -7.551 -9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.297 -3.571 -10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.720 -4.565 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.451 -5.211 -11.113 1.00 0.00 H new ATOM 1457 N SER A 97 -0.354 -9.201 -6.379 1.00 0.00 N ATOM 1458 CA SER A 97 0.111 -10.526 -5.967 1.00 0.00 C ATOM 1459 C SER A 97 0.240 -11.458 -7.170 1.00 0.00 C ATOM 1460 O SER A 97 -0.625 -11.479 -8.049 1.00 0.00 O ATOM 1461 CB SER A 97 -0.840 -11.134 -4.933 1.00 0.00 C ATOM 1462 OG SER A 97 -0.131 -11.895 -3.972 1.00 0.00 O ATOM 0 H SER A 97 -1.357 -9.052 -6.267 1.00 0.00 H new ATOM 0 HA SER A 97 1.095 -10.408 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.395 -10.340 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.571 -11.767 -5.435 1.00 0.00 H new ATOM 0 HG SER A 97 -0.761 -12.271 -3.322 1.00 0.00 H new ATOM 1468 N THR A 98 1.329 -12.225 -7.199 1.00 0.00 N ATOM 1469 CA THR A 98 1.591 -13.164 -8.288 1.00 0.00 C ATOM 1470 C THR A 98 1.922 -14.555 -7.743 1.00 0.00 C ATOM 1471 O THR A 98 1.285 -15.541 -8.117 1.00 0.00 O ATOM 1472 CB THR A 98 2.740 -12.653 -9.166 1.00 0.00 C ATOM 1473 OG1 THR A 98 3.861 -12.284 -8.374 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.359 -11.457 -10.012 1.00 0.00 C ATOM 0 H THR A 98 2.048 -12.214 -6.476 1.00 0.00 H new ATOM 0 HA THR A 98 0.689 -13.240 -8.895 1.00 0.00 H new ATOM 0 HB THR A 98 2.986 -13.484 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.581 -11.963 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.216 -11.146 -10.609 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.535 -11.726 -10.673 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.051 -10.636 -9.364 1.00 0.00 H new ATOM 1482 N LEU A 99 2.917 -14.623 -6.858 1.00 0.00 N ATOM 1483 CA LEU A 99 3.332 -15.890 -6.259 1.00 0.00 C ATOM 1484 C LEU A 99 2.366 -16.311 -5.153 1.00 0.00 C ATOM 1485 O LEU A 99 2.120 -15.553 -4.214 1.00 0.00 O ATOM 1486 CB LEU A 99 4.750 -15.771 -5.689 1.00 0.00 C ATOM 1487 CG LEU A 99 5.581 -17.057 -5.722 1.00 0.00 C ATOM 1488 CD1 LEU A 99 6.408 -17.127 -6.998 1.00 0.00 C ATOM 1489 CD2 LEU A 99 6.480 -17.141 -4.496 1.00 0.00 C ATOM 0 H LEU A 99 3.451 -13.814 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 99 3.322 -16.651 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.283 -15.000 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.681 -15.430 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 99 4.900 -17.908 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.992 -18.048 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.745 -17.113 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.081 -16.271 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.064 -18.061 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.154 -16.284 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.867 -17.138 -3.595 1.00 0.00 H new ATOM 1501 N HIS A 100 1.826 -17.524 -5.268 1.00 0.00 N ATOM 1502 CA HIS A 100 0.891 -18.046 -4.275 1.00 0.00 C ATOM 1503 C HIS A 100 1.196 -19.509 -3.957 1.00 0.00 C ATOM 1504 O HIS A 100 0.668 -20.419 -4.603 1.00 0.00 O ATOM 1505 CB HIS A 100 -0.551 -17.899 -4.770 1.00 0.00 C ATOM 1506 CG HIS A 100 -1.562 -17.854 -3.664 1.00 0.00 C ATOM 1507 ND1 HIS A 100 -1.862 -16.704 -2.965 1.00 0.00 N ATOM 1508 CD2 HIS A 100 -2.343 -18.827 -3.138 1.00 0.00 C ATOM 1509 CE1 HIS A 100 -2.784 -16.972 -2.057 1.00 0.00 C ATOM 1510 NE2 HIS A 100 -3.092 -18.252 -2.142 1.00 0.00 N ATOM 0 H HIS A 100 2.021 -18.163 -6.039 1.00 0.00 H new ATOM 0 HA HIS A 100 1.008 -17.466 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -0.632 -16.988 -5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -0.786 -18.732 -5.432 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -2.371 -19.862 -3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -3.212 -16.264 -1.363 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.776 -18.736 -1.561 1.00 0.00 H new ATOM 1519 N GLY A 101 2.052 -19.727 -2.961 1.00 0.00 N ATOM 1520 CA GLY A 101 2.417 -21.079 -2.573 1.00 0.00 C ATOM 1521 C GLY A 101 2.865 -21.170 -1.127 1.00 0.00 C ATOM 1522 O GLY A 101 2.181 -21.772 -0.298 1.00 0.00 O ATOM 0 H GLY A 101 2.500 -18.990 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.564 -21.740 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.218 -21.435 -3.221 1.00 0.00 H new ATOM 1526 N GLY A 102 4.018 -20.570 -0.824 1.00 0.00 N ATOM 1527 CA GLY A 102 4.543 -20.593 0.532 1.00 0.00 C ATOM 1528 C GLY A 102 4.439 -19.247 1.229 1.00 0.00 C ATOM 1529 O GLY A 102 3.629 -18.403 0.791 1.00 0.00 O ATOM 0 H GLY A 102 4.598 -20.068 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.002 -21.340 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.587 -20.904 0.507 1.00 0.00 H new TER 1533 GLY A 102