USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 CYS SG : rot 130:sc= -0.647! USER MOD Set 1.2: A 92 CYS SG : rot 75:sc= -7.22! USER MOD Set 2.1: A 52 CYS SG : rot -90:sc= -2.51! USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 1 SER N :NH3+ 178:sc= 0 (180deg=-0.00631) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.5!) USER MOD Single : A 18 THR OG1 : rot 5:sc= 0.868 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 21 THR OG1 : rot 160:sc= -0.0354 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN :FLIP amide:sc= 0.00435! F(o=-1.2,f=0.0043!) USER MOD Single : A 37 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.9!) USER MOD Single : A 49 THR OG1 : rot -94:sc= 0.731 USER MOD Single : A 53 SER OG : rot 17:sc= 0.519 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 75 ASN : amide:sc= -0.0608 X(o=-0.061,f=0) USER MOD Single : A 77 MET CE :methyl 140:sc= -0.9 (180deg=-2.41!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -175:sc= -0.0806 USER MOD Single : A 88 SER OG : rot 180:sc=-0.00529 USER MOD Single : A 93 GLN : amide:sc= -2.52 K(o=-2.5,f=-4.4!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.866 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 100 MET CE :methyl 150:sc= -5.39! (180deg=-7.9!) USER MOD Single : A 102 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.1) USER MOD Single : A 103 MET CE :methyl 166:sc= -3.91! (180deg=-4.44!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.398 24.400 -6.832 1.00 0.00 N ATOM 2 CA SER A 1 17.146 24.400 -8.077 1.00 0.00 C ATOM 3 C SER A 1 17.568 22.973 -8.435 1.00 0.00 C ATOM 4 O SER A 1 18.745 22.713 -8.679 1.00 0.00 O ATOM 5 CB SER A 1 18.374 25.308 -7.982 1.00 0.00 C ATOM 6 OG SER A 1 18.014 26.683 -7.874 1.00 0.00 O ATOM 0 H1 SER A 1 16.145 25.376 -6.579 1.00 0.00 H new ATOM 0 H2 SER A 1 15.532 23.836 -6.948 1.00 0.00 H new ATOM 0 H3 SER A 1 16.981 23.987 -6.077 1.00 0.00 H new ATOM 0 HA SER A 1 16.500 24.789 -8.864 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.971 25.021 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.000 25.165 -8.863 1.00 0.00 H new ATOM 0 HG SER A 1 18.825 27.230 -7.814 1.00 0.00 H new ATOM 12 N SER A 2 16.584 22.087 -8.454 1.00 0.00 N ATOM 13 CA SER A 2 16.838 20.693 -8.777 1.00 0.00 C ATOM 14 C SER A 2 15.518 19.973 -9.061 1.00 0.00 C ATOM 15 O SER A 2 15.220 19.645 -10.208 1.00 0.00 O ATOM 16 CB SER A 2 17.591 19.993 -7.644 1.00 0.00 C ATOM 17 OG SER A 2 18.559 19.071 -8.136 1.00 0.00 O ATOM 0 H SER A 2 15.609 22.307 -8.251 1.00 0.00 H new ATOM 0 HA SER A 2 17.464 20.657 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.085 20.739 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.880 19.467 -7.007 1.00 0.00 H new ATOM 0 HG SER A 2 19.019 18.646 -7.382 1.00 0.00 H new ATOM 23 N SER A 3 14.763 19.747 -7.996 1.00 0.00 N ATOM 24 CA SER A 3 13.482 19.072 -8.116 1.00 0.00 C ATOM 25 C SER A 3 12.887 18.828 -6.728 1.00 0.00 C ATOM 26 O SER A 3 13.520 19.124 -5.716 1.00 0.00 O ATOM 27 CB SER A 3 13.626 17.749 -8.872 1.00 0.00 C ATOM 28 OG SER A 3 14.731 16.983 -8.402 1.00 0.00 O ATOM 0 H SER A 3 15.014 20.019 -7.046 1.00 0.00 H new ATOM 0 HA SER A 3 12.809 19.713 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.710 17.168 -8.764 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.751 17.951 -9.936 1.00 0.00 H new ATOM 0 HG SER A 3 14.788 16.146 -8.908 1.00 0.00 H new ATOM 34 N GLU A 4 11.676 18.289 -6.725 1.00 0.00 N ATOM 35 CA GLU A 4 10.988 18.001 -5.478 1.00 0.00 C ATOM 36 C GLU A 4 9.617 17.382 -5.758 1.00 0.00 C ATOM 37 O GLU A 4 8.866 17.882 -6.594 1.00 0.00 O ATOM 38 CB GLU A 4 10.856 19.262 -4.621 1.00 0.00 C ATOM 39 CG GLU A 4 11.686 19.145 -3.342 1.00 0.00 C ATOM 40 CD GLU A 4 11.464 20.355 -2.431 1.00 0.00 C ATOM 41 OE1 GLU A 4 10.362 20.925 -2.416 1.00 0.00 O ATOM 42 OE2 GLU A 4 12.484 20.698 -1.721 1.00 0.00 O ATOM 0 H GLU A 4 11.154 18.044 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 4 11.582 17.280 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.183 20.130 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.809 19.424 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.416 18.232 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.743 19.066 -3.596 1.00 0.00 H new ATOM 50 N ASP A 5 9.333 16.303 -5.043 1.00 0.00 N ATOM 51 CA ASP A 5 8.066 15.611 -5.205 1.00 0.00 C ATOM 52 C ASP A 5 7.771 14.797 -3.944 1.00 0.00 C ATOM 53 O ASP A 5 8.678 14.221 -3.345 1.00 0.00 O ATOM 54 CB ASP A 5 8.113 14.646 -6.391 1.00 0.00 C ATOM 55 CG ASP A 5 8.421 15.295 -7.741 1.00 0.00 C ATOM 56 OD1 ASP A 5 9.482 15.058 -8.337 1.00 0.00 O ATOM 57 OD2 ASP A 5 7.505 16.086 -8.188 1.00 0.00 O ATOM 0 H ASP A 5 9.959 15.891 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 5 7.293 16.359 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.867 13.884 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.153 14.134 -6.462 1.00 0.00 H new ATOM 63 N LYS A 6 6.498 14.774 -3.577 1.00 0.00 N ATOM 64 CA LYS A 6 6.071 14.040 -2.398 1.00 0.00 C ATOM 65 C LYS A 6 4.545 14.088 -2.297 1.00 0.00 C ATOM 66 O LYS A 6 3.951 15.164 -2.334 1.00 0.00 O ATOM 67 CB LYS A 6 6.787 14.564 -1.152 1.00 0.00 C ATOM 68 CG LYS A 6 6.303 15.971 -0.793 1.00 0.00 C ATOM 69 CD LYS A 6 7.109 16.547 0.374 1.00 0.00 C ATOM 70 CE LYS A 6 7.080 18.076 0.357 1.00 0.00 C ATOM 0 H LYS A 6 5.748 15.252 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 6 6.352 12.990 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.608 13.889 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.863 14.579 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.396 16.624 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.246 15.940 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.702 16.182 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.140 16.198 0.316 1.00 0.00 H new ATOM 84 N ILE A 7 3.955 12.909 -2.170 1.00 0.00 N ATOM 85 CA ILE A 7 2.510 12.803 -2.063 1.00 0.00 C ATOM 86 C ILE A 7 2.136 12.421 -0.630 1.00 0.00 C ATOM 87 O ILE A 7 3.008 12.268 0.224 1.00 0.00 O ATOM 88 CB ILE A 7 1.963 11.840 -3.119 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.119 10.386 -2.668 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.616 12.090 -4.480 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.303 9.446 -3.557 1.00 0.00 C ATOM 0 H ILE A 7 4.451 12.019 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 7 2.041 13.765 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 7 0.896 12.030 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.171 10.102 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.794 10.286 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.210 11.392 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.411 13.112 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.693 11.944 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.431 8.419 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.249 9.717 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.647 9.531 -4.588 1.00 0.00 H new ATOM 103 N THR A 8 0.837 12.278 -0.409 1.00 0.00 N ATOM 104 CA THR A 8 0.337 11.916 0.906 1.00 0.00 C ATOM 105 C THR A 8 -0.338 10.544 0.862 1.00 0.00 C ATOM 106 O THR A 8 -1.092 10.249 -0.064 1.00 0.00 O ATOM 107 CB THR A 8 -0.592 13.035 1.382 1.00 0.00 C ATOM 108 OG1 THR A 8 0.186 14.219 1.233 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.874 12.962 2.884 1.00 0.00 C ATOM 0 H THR A 8 0.116 12.406 -1.119 1.00 0.00 H new ATOM 0 HA THR A 8 1.150 11.820 1.625 1.00 0.00 H new ATOM 0 HB THR A 8 -1.532 12.984 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.341 14.995 1.518 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.538 13.778 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.348 12.009 3.119 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.063 13.047 3.435 1.00 0.00 H new ATOM 117 N VAL A 9 -0.043 9.742 1.874 1.00 0.00 N ATOM 118 CA VAL A 9 -0.612 8.407 1.962 1.00 0.00 C ATOM 119 C VAL A 9 -1.188 8.195 3.363 1.00 0.00 C ATOM 120 O VAL A 9 -0.570 8.574 4.356 1.00 0.00 O ATOM 121 CB VAL A 9 0.442 7.364 1.584 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.138 5.950 1.654 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.025 7.649 0.199 1.00 0.00 C ATOM 0 H VAL A 9 0.583 9.990 2.640 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.432 8.293 1.253 1.00 0.00 H new ATOM 0 HB VAL A 9 1.254 7.431 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.631 5.227 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.482 5.748 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.977 5.866 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.771 6.893 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.228 7.624 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.492 8.634 0.197 1.00 0.00 H new ATOM 133 N HIS A 10 -2.366 7.590 3.397 1.00 0.00 N ATOM 134 CA HIS A 10 -3.034 7.322 4.660 1.00 0.00 C ATOM 135 C HIS A 10 -3.217 5.814 4.835 1.00 0.00 C ATOM 136 O HIS A 10 -3.531 5.108 3.877 1.00 0.00 O ATOM 137 CB HIS A 10 -4.351 8.094 4.753 1.00 0.00 C ATOM 138 CG HIS A 10 -4.182 9.594 4.805 1.00 0.00 C ATOM 139 ND1 HIS A 10 -3.611 10.247 5.883 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.514 10.561 3.902 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.605 11.547 5.630 1.00 0.00 C ATOM 0 H HIS A 10 -2.875 7.278 2.570 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.414 7.675 5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.972 7.838 3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.889 7.768 5.643 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.255 9.802 6.729 1.00 0.00 H new ATOM 150 N PHE A 11 -3.013 5.363 6.064 1.00 0.00 N ATOM 151 CA PHE A 11 -3.152 3.951 6.376 1.00 0.00 C ATOM 152 C PHE A 11 -4.077 3.743 7.576 1.00 0.00 C ATOM 153 O PHE A 11 -3.783 4.204 8.678 1.00 0.00 O ATOM 154 CB PHE A 11 -1.756 3.431 6.726 1.00 0.00 C ATOM 155 CG PHE A 11 -0.801 3.359 5.534 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.220 4.494 5.059 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.533 2.162 4.947 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.667 4.428 3.952 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.353 2.096 3.840 1.00 0.00 C ATOM 160 CZ PHE A 11 0.935 3.230 3.366 1.00 0.00 C ATOM 0 H PHE A 11 -2.752 5.951 6.856 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.582 3.422 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.320 4.076 7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.849 2.437 7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.433 5.445 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.995 1.261 5.323 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.129 5.329 3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.565 1.145 3.374 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.610 3.179 2.524 1.00 0.00 H new ATOM 170 N ILE A 12 -5.177 3.049 7.322 1.00 0.00 N ATOM 171 CA ILE A 12 -6.147 2.774 8.369 1.00 0.00 C ATOM 172 C ILE A 12 -5.738 1.504 9.117 1.00 0.00 C ATOM 173 O ILE A 12 -5.828 0.403 8.574 1.00 0.00 O ATOM 174 CB ILE A 12 -7.561 2.717 7.787 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.824 3.911 6.868 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.607 2.607 8.898 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.961 3.610 5.889 1.00 0.00 C ATOM 0 H ILE A 12 -5.418 2.669 6.407 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.160 3.583 9.099 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.644 1.817 7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.077 4.786 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.917 4.155 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.603 2.568 8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.430 1.700 9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.534 3.475 9.554 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.127 4.475 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.695 2.749 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.872 3.391 6.446 1.00 0.00 H new ATOM 189 N ASN A 13 -5.298 1.698 10.351 1.00 0.00 N ATOM 190 CA ASN A 13 -4.875 0.582 11.179 1.00 0.00 C ATOM 191 C ASN A 13 -5.987 -0.469 11.219 1.00 0.00 C ATOM 192 O ASN A 13 -7.147 -0.160 10.953 1.00 0.00 O ATOM 193 CB ASN A 13 -4.601 1.034 12.615 1.00 0.00 C ATOM 194 CG ASN A 13 -3.455 0.230 13.234 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.700 -0.447 12.555 1.00 0.00 O ATOM 196 ND2 ASN A 13 -3.367 0.343 14.556 1.00 0.00 N ATOM 0 H ASN A 13 -5.225 2.612 10.798 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.961 0.171 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.352 2.095 12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.502 0.912 13.217 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.635 -0.154 15.063 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.032 0.927 15.063 1.00 0.00 H new ATOM 203 N ARG A 14 -5.593 -1.689 11.552 1.00 0.00 N ATOM 204 CA ARG A 14 -6.541 -2.787 11.629 1.00 0.00 C ATOM 205 C ARG A 14 -7.496 -2.581 12.807 1.00 0.00 C ATOM 206 O ARG A 14 -8.511 -3.268 12.915 1.00 0.00 O ATOM 207 CB ARG A 14 -5.821 -4.127 11.793 1.00 0.00 C ATOM 208 CG ARG A 14 -4.855 -4.088 12.979 1.00 0.00 C ATOM 209 CD ARG A 14 -4.485 -5.502 13.431 1.00 0.00 C ATOM 210 NE ARG A 14 -4.734 -5.652 14.882 1.00 0.00 N ATOM 211 CZ ARG A 14 -4.119 -6.562 15.666 1.00 0.00 C ATOM 212 NH1 ARG A 14 -3.211 -7.414 15.144 1.00 0.00 N ATOM 213 NH2 ARG A 14 -4.418 -6.607 16.950 1.00 0.00 N ATOM 0 H ARG A 14 -4.629 -1.941 11.772 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.106 -2.804 10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.553 -4.921 11.941 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.273 -4.364 10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.953 -3.544 12.700 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.311 -3.545 13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.070 -6.235 12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.436 -5.700 13.212 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.414 -5.028 15.317 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.985 -7.373 14.150 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.751 -8.099 15.744 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.105 -5.960 17.337 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.962 -7.289 17.556 1.00 0.00 H new ATOM 226 N ASP A 15 -7.138 -1.632 13.659 1.00 0.00 N ATOM 227 CA ASP A 15 -7.950 -1.328 14.825 1.00 0.00 C ATOM 228 C ASP A 15 -9.063 -0.357 14.426 1.00 0.00 C ATOM 229 O ASP A 15 -10.139 -0.363 15.021 1.00 0.00 O ATOM 230 CB ASP A 15 -7.114 -0.664 15.921 1.00 0.00 C ATOM 231 CG ASP A 15 -7.008 -1.458 17.224 1.00 0.00 C ATOM 232 OD1 ASP A 15 -5.960 -2.044 17.533 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.076 -1.462 17.948 1.00 0.00 O ATOM 0 H ASP A 15 -6.296 -1.063 13.565 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.361 -2.264 15.203 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.109 -0.491 15.536 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.543 0.313 16.143 1.00 0.00 H new ATOM 239 N GLY A 16 -8.765 0.454 13.422 1.00 0.00 N ATOM 240 CA GLY A 16 -9.727 1.429 12.937 1.00 0.00 C ATOM 241 C GLY A 16 -9.115 2.832 12.900 1.00 0.00 C ATOM 242 O GLY A 16 -9.775 3.790 12.502 1.00 0.00 O ATOM 0 H GLY A 16 -7.871 0.456 12.931 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.063 1.148 11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.606 1.429 13.581 1.00 0.00 H new ATOM 246 N GLU A 17 -7.862 2.907 13.322 1.00 0.00 N ATOM 247 CA GLU A 17 -7.154 4.176 13.343 1.00 0.00 C ATOM 248 C GLU A 17 -6.840 4.632 11.917 1.00 0.00 C ATOM 249 O GLU A 17 -7.326 4.044 10.952 1.00 0.00 O ATOM 250 CB GLU A 17 -5.878 4.078 14.181 1.00 0.00 C ATOM 251 CG GLU A 17 -6.101 4.636 15.588 1.00 0.00 C ATOM 252 CD GLU A 17 -5.954 6.159 15.603 1.00 0.00 C ATOM 253 OE1 GLU A 17 -6.827 6.872 15.087 1.00 0.00 O ATOM 254 OE2 GLU A 17 -4.886 6.598 16.179 1.00 0.00 O ATOM 0 H GLU A 17 -7.318 2.110 13.652 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.798 4.922 13.808 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.560 3.037 14.245 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.074 4.628 13.691 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.095 4.359 15.940 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.384 4.191 16.278 1.00 0.00 H new ATOM 262 N THR A 18 -6.030 5.677 11.828 1.00 0.00 N ATOM 263 CA THR A 18 -5.645 6.218 10.536 1.00 0.00 C ATOM 264 C THR A 18 -4.272 6.888 10.626 1.00 0.00 C ATOM 265 O THR A 18 -4.109 7.887 11.324 1.00 0.00 O ATOM 266 CB THR A 18 -6.754 7.165 10.072 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.758 6.296 9.554 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.335 8.010 8.867 1.00 0.00 C ATOM 0 H THR A 18 -5.630 6.163 12.630 1.00 0.00 H new ATOM 0 HA THR A 18 -5.538 5.429 9.792 1.00 0.00 H new ATOM 0 HB THR A 18 -7.039 7.821 10.894 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.498 5.365 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.157 8.664 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.466 8.614 9.130 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.082 7.355 8.033 1.00 0.00 H new ATOM 276 N LEU A 19 -3.320 6.310 9.908 1.00 0.00 N ATOM 277 CA LEU A 19 -1.967 6.839 9.897 1.00 0.00 C ATOM 278 C LEU A 19 -1.777 7.719 8.660 1.00 0.00 C ATOM 279 O LEU A 19 -2.398 7.483 7.625 1.00 0.00 O ATOM 280 CB LEU A 19 -0.947 5.703 10.006 1.00 0.00 C ATOM 281 CG LEU A 19 -0.921 4.950 11.338 1.00 0.00 C ATOM 282 CD1 LEU A 19 -1.603 5.763 12.440 1.00 0.00 C ATOM 283 CD2 LEU A 19 -1.532 3.555 11.192 1.00 0.00 C ATOM 0 H LEU A 19 -3.459 5.481 9.330 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.799 7.473 10.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.145 4.986 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.046 6.114 9.824 1.00 0.00 H new ATOM 0 HG LEU A 19 0.119 4.815 11.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.571 5.206 13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.084 6.713 12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.641 5.950 12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.501 3.042 12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.567 3.644 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.964 2.984 10.457 1.00 0.00 H new ATOM 295 N THR A 20 -0.916 8.715 8.809 1.00 0.00 N ATOM 296 CA THR A 20 -0.637 9.632 7.717 1.00 0.00 C ATOM 297 C THR A 20 0.855 9.622 7.380 1.00 0.00 C ATOM 298 O THR A 20 1.689 9.928 8.231 1.00 0.00 O ATOM 299 CB THR A 20 -1.161 11.014 8.114 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.576 10.852 8.149 1.00 0.00 O ATOM 301 CG2 THR A 20 -0.933 12.062 7.023 1.00 0.00 C ATOM 0 H THR A 20 -0.403 8.907 9.669 1.00 0.00 H new ATOM 0 HA THR A 20 -1.147 9.325 6.804 1.00 0.00 H new ATOM 0 HB THR A 20 -0.674 11.336 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.996 11.701 8.399 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.323 13.024 7.355 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.135 12.153 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.448 11.757 6.112 1.00 0.00 H new ATOM 309 N THR A 21 1.147 9.267 6.138 1.00 0.00 N ATOM 310 CA THR A 21 2.524 9.212 5.678 1.00 0.00 C ATOM 311 C THR A 21 2.625 9.711 4.235 1.00 0.00 C ATOM 312 O THR A 21 1.852 9.292 3.375 1.00 0.00 O ATOM 313 CB THR A 21 3.028 7.780 5.863 1.00 0.00 C ATOM 314 OG1 THR A 21 4.436 7.879 5.666 1.00 0.00 O ATOM 315 CG2 THR A 21 2.560 6.846 4.745 1.00 0.00 C ATOM 0 H THR A 21 0.453 9.014 5.435 1.00 0.00 H new ATOM 0 HA THR A 21 3.163 9.874 6.263 1.00 0.00 H new ATOM 0 HB THR A 21 2.686 7.396 6.824 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.878 7.103 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.945 5.842 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.471 6.819 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.930 7.211 3.787 1.00 0.00 H new ATOM 323 N LYS A 22 3.584 10.597 4.015 1.00 0.00 N ATOM 324 CA LYS A 22 3.796 11.157 2.691 1.00 0.00 C ATOM 325 C LYS A 22 4.834 10.315 1.946 1.00 0.00 C ATOM 326 O LYS A 22 5.937 10.099 2.444 1.00 0.00 O ATOM 327 CB LYS A 22 4.162 12.639 2.788 1.00 0.00 C ATOM 328 CG LYS A 22 5.552 12.822 3.402 1.00 0.00 C ATOM 329 CD LYS A 22 5.926 14.303 3.482 1.00 0.00 C ATOM 330 CE LYS A 22 5.025 15.043 4.473 1.00 0.00 C ATOM 0 H LYS A 22 4.223 10.941 4.731 1.00 0.00 H new ATOM 0 HA LYS A 22 2.875 11.117 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.137 13.089 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.421 13.161 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.573 12.384 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.291 12.289 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.968 14.403 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.838 14.758 2.495 1.00 0.00 H new ATOM 344 N GLY A 23 4.443 9.861 0.764 1.00 0.00 N ATOM 345 CA GLY A 23 5.325 9.048 -0.055 1.00 0.00 C ATOM 346 C GLY A 23 6.144 9.918 -1.011 1.00 0.00 C ATOM 347 O GLY A 23 6.863 10.816 -0.576 1.00 0.00 O ATOM 0 H GLY A 23 3.527 10.041 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.996 8.475 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.737 8.329 -0.626 1.00 0.00 H new ATOM 351 N LYS A 24 6.007 9.621 -2.295 1.00 0.00 N ATOM 352 CA LYS A 24 6.725 10.365 -3.316 1.00 0.00 C ATOM 353 C LYS A 24 6.712 9.570 -4.623 1.00 0.00 C ATOM 354 O LYS A 24 7.476 8.619 -4.783 1.00 0.00 O ATOM 355 CB LYS A 24 8.130 10.725 -2.828 1.00 0.00 C ATOM 356 CG LYS A 24 9.072 10.976 -4.007 1.00 0.00 C ATOM 357 CD LYS A 24 10.497 11.249 -3.522 1.00 0.00 C ATOM 358 CE LYS A 24 11.511 11.026 -4.646 1.00 0.00 C ATOM 0 H LYS A 24 5.409 8.875 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 24 6.229 11.315 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.084 11.614 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.522 9.917 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.069 10.111 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.713 11.825 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.571 12.274 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.731 10.595 -2.682 1.00 0.00 H new ATOM 372 N ILE A 25 5.837 9.989 -5.525 1.00 0.00 N ATOM 373 CA ILE A 25 5.715 9.328 -6.813 1.00 0.00 C ATOM 374 C ILE A 25 7.085 8.797 -7.241 1.00 0.00 C ATOM 375 O ILE A 25 7.908 9.545 -7.766 1.00 0.00 O ATOM 376 CB ILE A 25 5.072 10.266 -7.837 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.356 9.796 -9.265 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.516 11.712 -7.611 1.00 0.00 C ATOM 379 CD1 ILE A 25 4.065 9.706 -10.081 1.00 0.00 C ATOM 0 H ILE A 25 5.205 10.778 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 25 5.049 8.469 -6.739 1.00 0.00 H new ATOM 0 HB ILE A 25 3.992 10.235 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.048 10.486 -9.748 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.843 8.821 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.045 12.357 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.221 12.031 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.600 11.779 -7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.296 9.370 -11.092 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.385 8.997 -9.609 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.593 10.687 -10.124 1.00 0.00 H new ATOM 391 N GLY A 26 7.286 7.510 -7.000 1.00 0.00 N ATOM 392 CA GLY A 26 8.542 6.870 -7.353 1.00 0.00 C ATOM 393 C GLY A 26 9.076 6.031 -6.191 1.00 0.00 C ATOM 394 O GLY A 26 9.953 5.189 -6.380 1.00 0.00 O ATOM 0 H GLY A 26 6.600 6.893 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.398 6.236 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.276 7.628 -7.626 1.00 0.00 H new ATOM 398 N ASP A 27 8.525 6.289 -5.014 1.00 0.00 N ATOM 399 CA ASP A 27 8.935 5.568 -3.821 1.00 0.00 C ATOM 400 C ASP A 27 8.640 4.078 -4.005 1.00 0.00 C ATOM 401 O ASP A 27 8.620 3.580 -5.129 1.00 0.00 O ATOM 402 CB ASP A 27 8.165 6.054 -2.592 1.00 0.00 C ATOM 403 CG ASP A 27 6.732 5.529 -2.477 1.00 0.00 C ATOM 404 OD1 ASP A 27 6.240 4.817 -3.364 1.00 0.00 O ATOM 405 OD2 ASP A 27 6.106 5.885 -1.406 1.00 0.00 O ATOM 0 H ASP A 27 7.798 6.988 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 27 10.000 5.742 -3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.716 5.762 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.137 7.144 -2.607 1.00 0.00 H new ATOM 411 N SER A 28 8.419 3.409 -2.883 1.00 0.00 N ATOM 412 CA SER A 28 8.126 1.986 -2.906 1.00 0.00 C ATOM 413 C SER A 28 7.442 1.571 -1.602 1.00 0.00 C ATOM 414 O SER A 28 8.010 1.726 -0.522 1.00 0.00 O ATOM 415 CB SER A 28 9.399 1.165 -3.122 1.00 0.00 C ATOM 416 OG SER A 28 9.411 0.522 -4.393 1.00 0.00 O ATOM 0 H SER A 28 8.437 3.826 -1.952 1.00 0.00 H new ATOM 0 HA SER A 28 7.453 1.789 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.269 1.816 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.484 0.415 -2.336 1.00 0.00 H new ATOM 0 HG SER A 28 10.240 0.010 -4.493 1.00 0.00 H new ATOM 422 N LEU A 29 6.231 1.051 -1.746 1.00 0.00 N ATOM 423 CA LEU A 29 5.464 0.613 -0.592 1.00 0.00 C ATOM 424 C LEU A 29 6.387 -0.124 0.379 1.00 0.00 C ATOM 425 O LEU A 29 7.402 -0.686 -0.029 1.00 0.00 O ATOM 426 CB LEU A 29 4.254 -0.212 -1.036 1.00 0.00 C ATOM 427 CG LEU A 29 3.097 0.575 -1.657 1.00 0.00 C ATOM 428 CD1 LEU A 29 2.157 -0.351 -2.430 1.00 0.00 C ATOM 429 CD2 LEU A 29 2.355 1.388 -0.595 1.00 0.00 C ATOM 0 H LEU A 29 5.763 0.923 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 29 5.058 1.471 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.591 -0.955 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.874 -0.757 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 29 3.512 1.284 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.344 0.233 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.710 -0.847 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.746 -1.100 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.538 1.938 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.953 0.716 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.044 2.091 -0.127 1.00 0.00 H new ATOM 441 N LEU A 30 6.002 -0.098 1.647 1.00 0.00 N ATOM 442 CA LEU A 30 6.783 -0.756 2.680 1.00 0.00 C ATOM 443 C LEU A 30 7.846 0.210 3.204 1.00 0.00 C ATOM 444 O LEU A 30 7.956 0.425 4.410 1.00 0.00 O ATOM 445 CB LEU A 30 7.355 -2.077 2.160 1.00 0.00 C ATOM 446 CG LEU A 30 7.598 -3.162 3.210 1.00 0.00 C ATOM 447 CD1 LEU A 30 6.347 -3.395 4.059 1.00 0.00 C ATOM 448 CD2 LEU A 30 8.097 -4.454 2.558 1.00 0.00 C ATOM 0 H LEU A 30 5.159 0.369 1.982 1.00 0.00 H new ATOM 0 HA LEU A 30 6.148 -1.021 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.674 -2.474 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.299 -1.868 1.657 1.00 0.00 H new ATOM 0 HG LEU A 30 8.383 -2.816 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.548 -4.171 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.076 -2.471 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.525 -3.709 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.262 -5.209 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.352 -4.815 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.033 -4.259 2.034 1.00 0.00 H new ATOM 460 N ASP A 31 8.604 0.769 2.271 1.00 0.00 N ATOM 461 CA ASP A 31 9.655 1.708 2.624 1.00 0.00 C ATOM 462 C ASP A 31 9.050 2.874 3.407 1.00 0.00 C ATOM 463 O ASP A 31 9.610 3.308 4.413 1.00 0.00 O ATOM 464 CB ASP A 31 10.327 2.277 1.373 1.00 0.00 C ATOM 465 CG ASP A 31 10.466 1.294 0.209 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.092 0.117 0.319 1.00 0.00 O ATOM 467 OD2 ASP A 31 10.990 1.787 -0.862 1.00 0.00 O ATOM 0 H ASP A 31 8.511 0.589 1.271 1.00 0.00 H new ATOM 0 HA ASP A 31 10.395 1.176 3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.755 3.141 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.319 2.638 1.644 1.00 0.00 H new ATOM 473 N VAL A 32 7.914 3.348 2.918 1.00 0.00 N ATOM 474 CA VAL A 32 7.226 4.455 3.560 1.00 0.00 C ATOM 475 C VAL A 32 6.821 4.045 4.977 1.00 0.00 C ATOM 476 O VAL A 32 7.114 4.754 5.939 1.00 0.00 O ATOM 477 CB VAL A 32 6.038 4.901 2.704 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.204 5.956 3.432 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.507 5.416 1.341 1.00 0.00 C ATOM 0 H VAL A 32 7.452 2.985 2.084 1.00 0.00 H new ATOM 0 HA VAL A 32 7.888 5.317 3.647 1.00 0.00 H new ATOM 0 HB VAL A 32 5.403 4.032 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.366 6.256 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.825 5.540 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.825 6.825 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.644 5.726 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.174 6.266 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.038 4.622 0.815 1.00 0.00 H new ATOM 489 N VAL A 33 6.154 2.904 5.061 1.00 0.00 N ATOM 490 CA VAL A 33 5.706 2.392 6.345 1.00 0.00 C ATOM 491 C VAL A 33 6.917 2.184 7.257 1.00 0.00 C ATOM 492 O VAL A 33 6.935 2.666 8.389 1.00 0.00 O ATOM 493 CB VAL A 33 4.885 1.116 6.142 1.00 0.00 C ATOM 494 CG1 VAL A 33 4.564 0.452 7.482 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.606 1.407 5.354 1.00 0.00 C ATOM 0 H VAL A 33 5.913 2.319 4.261 1.00 0.00 H new ATOM 0 HA VAL A 33 5.049 3.111 6.835 1.00 0.00 H new ATOM 0 HB VAL A 33 5.487 0.419 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.980 -0.452 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.492 0.193 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.991 1.141 8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.041 0.484 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.999 2.130 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.865 1.815 4.377 1.00 0.00 H new ATOM 505 N VAL A 34 7.898 1.467 6.730 1.00 0.00 N ATOM 506 CA VAL A 34 9.110 1.190 7.483 1.00 0.00 C ATOM 507 C VAL A 34 9.743 2.511 7.925 1.00 0.00 C ATOM 508 O VAL A 34 10.359 2.584 8.988 1.00 0.00 O ATOM 509 CB VAL A 34 10.056 0.322 6.651 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.504 0.490 7.115 1.00 0.00 C ATOM 511 CG2 VAL A 34 9.633 -1.148 6.696 1.00 0.00 C ATOM 0 H VAL A 34 7.879 1.069 5.791 1.00 0.00 H new ATOM 0 HA VAL A 34 8.879 0.623 8.384 1.00 0.00 H new ATOM 0 HB VAL A 34 9.995 0.657 5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.156 -0.138 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.802 1.533 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.588 0.194 8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.322 -1.743 6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.651 -1.501 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.624 -1.249 6.296 1.00 0.00 H new ATOM 521 N GLN A 35 9.571 3.523 7.087 1.00 0.00 N ATOM 522 CA GLN A 35 10.119 4.837 7.378 1.00 0.00 C ATOM 523 C GLN A 35 9.318 5.510 8.494 1.00 0.00 C ATOM 524 O GLN A 35 9.804 6.439 9.138 1.00 0.00 O ATOM 525 CB GLN A 35 10.148 5.709 6.121 1.00 0.00 C ATOM 526 CG GLN A 35 11.315 5.322 5.211 1.00 0.00 C ATOM 527 CD GLN A 35 12.496 6.277 5.398 1.00 0.00 C ATOM 528 OE1 GLN A 35 13.444 6.000 6.114 1.00 0.00 O ATOM 529 NE2 GLN A 35 12.386 7.413 4.716 1.00 0.00 N ATOM 0 H GLN A 35 9.060 3.459 6.207 1.00 0.00 H new ATOM 0 HA GLN A 35 11.147 4.714 7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.209 5.602 5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.235 6.758 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.629 4.302 5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.991 5.338 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.565 7.581 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.123 8.116 4.774 1.00 0.00 H new ATOM 538 N ASN A 36 8.105 5.015 8.690 1.00 0.00 N ATOM 539 CA ASN A 36 7.232 5.557 9.717 1.00 0.00 C ATOM 540 C ASN A 36 7.299 4.666 10.959 1.00 0.00 C ATOM 541 O ASN A 36 6.455 4.770 11.848 1.00 0.00 O ATOM 542 CB ASN A 36 5.779 5.597 9.241 1.00 0.00 C ATOM 543 CG ASN A 36 4.944 6.542 10.107 1.00 0.00 C ATOM 544 OD1 ASN A 36 4.653 7.699 9.519 1.00 0.00 O flip ATOM 545 ND2 ASN A 36 4.587 6.241 11.234 1.00 0.00 N flip ATOM 0 H ASN A 36 7.706 4.244 8.155 1.00 0.00 H new ATOM 0 HA ASN A 36 7.565 6.570 9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.742 5.923 8.201 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.353 4.594 9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.845 5.335 11.626 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.030 6.895 11.784 1.00 0.00 H new ATOM 552 N ASN A 37 8.310 3.810 10.981 1.00 0.00 N ATOM 553 CA ASN A 37 8.498 2.902 12.099 1.00 0.00 C ATOM 554 C ASN A 37 7.433 1.804 12.043 1.00 0.00 C ATOM 555 O ASN A 37 7.149 1.159 13.051 1.00 0.00 O ATOM 556 CB ASN A 37 8.353 3.634 13.434 1.00 0.00 C ATOM 557 CG ASN A 37 9.366 3.117 14.457 1.00 0.00 C ATOM 558 OD1 ASN A 37 10.435 2.634 14.120 1.00 0.00 O ATOM 559 ND2 ASN A 37 8.973 3.244 15.721 1.00 0.00 N ATOM 0 H ASN A 37 9.008 3.726 10.242 1.00 0.00 H new ATOM 0 HA ASN A 37 9.501 2.481 12.026 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.497 4.704 13.283 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.342 3.499 13.818 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.579 2.928 16.478 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.065 3.657 15.934 1.00 0.00 H new ATOM 566 N LEU A 38 6.874 1.626 10.855 1.00 0.00 N ATOM 567 CA LEU A 38 5.847 0.618 10.655 1.00 0.00 C ATOM 568 C LEU A 38 4.984 0.519 11.914 1.00 0.00 C ATOM 569 O LEU A 38 5.264 -0.285 12.801 1.00 0.00 O ATOM 570 CB LEU A 38 6.477 -0.711 10.234 1.00 0.00 C ATOM 571 CG LEU A 38 7.422 -1.357 11.249 1.00 0.00 C ATOM 572 CD1 LEU A 38 7.066 -2.828 11.473 1.00 0.00 C ATOM 573 CD2 LEU A 38 8.883 -1.178 10.829 1.00 0.00 C ATOM 0 H LEU A 38 7.113 2.163 10.021 1.00 0.00 H new ATOM 0 HA LEU A 38 5.186 0.904 9.837 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.676 -1.416 10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.026 -0.552 9.306 1.00 0.00 H new ATOM 0 HG LEU A 38 7.296 -0.847 12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.754 -3.262 12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.046 -2.902 11.850 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.145 -3.369 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.534 -1.646 11.567 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.042 -1.645 9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.115 -0.115 10.763 1.00 0.00 H new ATOM 585 N ASP A 39 3.951 1.348 11.951 1.00 0.00 N ATOM 586 CA ASP A 39 3.044 1.363 13.086 1.00 0.00 C ATOM 587 C ASP A 39 1.872 0.419 12.811 1.00 0.00 C ATOM 588 O ASP A 39 0.773 0.623 13.324 1.00 0.00 O ATOM 589 CB ASP A 39 2.477 2.765 13.319 1.00 0.00 C ATOM 590 CG ASP A 39 2.405 3.198 14.785 1.00 0.00 C ATOM 591 OD1 ASP A 39 1.373 3.027 15.451 1.00 0.00 O ATOM 592 OD2 ASP A 39 3.481 3.739 15.247 1.00 0.00 O ATOM 0 H ASP A 39 3.722 2.014 11.213 1.00 0.00 H new ATOM 0 HA ASP A 39 3.603 1.048 13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.089 3.483 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.475 2.811 12.893 1.00 0.00 H new ATOM 598 N ILE A 40 2.147 -0.593 12.002 1.00 0.00 N ATOM 599 CA ILE A 40 1.129 -1.569 11.652 1.00 0.00 C ATOM 600 C ILE A 40 1.712 -2.978 11.787 1.00 0.00 C ATOM 601 O ILE A 40 1.728 -3.741 10.822 1.00 0.00 O ATOM 602 CB ILE A 40 0.555 -1.271 10.266 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.030 0.164 10.187 1.00 0.00 C ATOM 604 CG2 ILE A 40 -0.517 -2.295 9.884 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.068 0.683 8.748 1.00 0.00 C ATOM 0 H ILE A 40 3.060 -0.758 11.579 1.00 0.00 H new ATOM 0 HA ILE A 40 0.286 -1.505 12.341 1.00 0.00 H new ATOM 0 HB ILE A 40 1.360 -1.360 9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.992 0.203 10.564 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.631 0.811 10.827 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.908 -2.060 8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.079 -3.293 9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.328 -2.262 10.612 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.310 1.705 8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.095 0.666 8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.553 0.048 8.116 1.00 0.00 H new ATOM 617 N ASP A 41 2.176 -3.279 12.990 1.00 0.00 N ATOM 618 CA ASP A 41 2.757 -4.583 13.263 1.00 0.00 C ATOM 619 C ASP A 41 1.954 -5.659 12.530 1.00 0.00 C ATOM 620 O ASP A 41 0.852 -6.009 12.950 1.00 0.00 O ATOM 621 CB ASP A 41 2.719 -4.901 14.759 1.00 0.00 C ATOM 622 CG ASP A 41 3.298 -3.814 15.667 1.00 0.00 C ATOM 623 OD1 ASP A 41 2.614 -2.838 16.012 1.00 0.00 O ATOM 624 OD2 ASP A 41 4.522 -4.000 16.027 1.00 0.00 O ATOM 0 H ASP A 41 2.162 -2.643 13.787 1.00 0.00 H new ATOM 0 HA ASP A 41 3.793 -4.568 12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.684 -5.083 15.050 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.267 -5.827 14.932 1.00 0.00 H new ATOM 630 N GLY A 42 2.537 -6.153 11.448 1.00 0.00 N ATOM 631 CA GLY A 42 1.889 -7.182 10.652 1.00 0.00 C ATOM 632 C GLY A 42 2.181 -6.988 9.163 1.00 0.00 C ATOM 633 O GLY A 42 2.177 -7.950 8.396 1.00 0.00 O ATOM 0 H GLY A 42 3.451 -5.860 11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.237 -8.165 10.969 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.813 -7.154 10.822 1.00 0.00 H new ATOM 637 N PHE A 43 2.427 -5.738 8.798 1.00 0.00 N ATOM 638 CA PHE A 43 2.720 -5.406 7.415 1.00 0.00 C ATOM 639 C PHE A 43 3.770 -6.356 6.833 1.00 0.00 C ATOM 640 O PHE A 43 4.286 -7.222 7.538 1.00 0.00 O ATOM 641 CB PHE A 43 3.277 -3.982 7.405 1.00 0.00 C ATOM 642 CG PHE A 43 2.642 -3.072 6.351 1.00 0.00 C ATOM 643 CD1 PHE A 43 1.525 -2.357 6.654 1.00 0.00 C ATOM 644 CD2 PHE A 43 3.192 -2.980 5.111 1.00 0.00 C ATOM 645 CE1 PHE A 43 0.936 -1.513 5.677 1.00 0.00 C ATOM 646 CE2 PHE A 43 2.603 -2.136 4.133 1.00 0.00 C ATOM 647 CZ PHE A 43 1.486 -1.420 4.437 1.00 0.00 C ATOM 0 H PHE A 43 2.429 -4.943 9.437 1.00 0.00 H new ATOM 0 HA PHE A 43 1.816 -5.493 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.129 -3.538 8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.352 -4.025 7.233 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.086 -2.432 7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.078 -3.549 4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.050 -0.944 5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.041 -2.062 3.149 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.037 -0.778 3.694 1.00 0.00 H new ATOM 657 N GLY A 44 4.054 -6.161 5.554 1.00 0.00 N ATOM 658 CA GLY A 44 5.033 -6.988 4.870 1.00 0.00 C ATOM 659 C GLY A 44 6.291 -7.168 5.723 1.00 0.00 C ATOM 660 O GLY A 44 6.567 -6.358 6.607 1.00 0.00 O ATOM 0 H GLY A 44 3.623 -5.442 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.599 -7.962 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.298 -6.531 3.917 1.00 0.00 H new ATOM 664 N ALA A 45 7.020 -8.234 5.428 1.00 0.00 N ATOM 665 CA ALA A 45 8.242 -8.530 6.156 1.00 0.00 C ATOM 666 C ALA A 45 9.363 -8.836 5.160 1.00 0.00 C ATOM 667 O ALA A 45 10.517 -8.338 5.208 1.00 0.00 O ATOM 668 CB ALA A 45 7.991 -9.688 7.125 1.00 0.00 C ATOM 0 H ALA A 45 6.788 -8.904 4.694 1.00 0.00 H new ATOM 0 HA ALA A 45 8.553 -7.670 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.908 -9.910 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.207 -9.410 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.679 -10.570 6.565 1.00 0.00 H new ATOM 674 N CYS A 46 9.042 -9.690 4.201 1.00 0.00 N ATOM 675 CA CYS A 46 9.954 -10.117 3.153 1.00 0.00 C ATOM 676 C CYS A 46 10.437 -8.982 2.273 1.00 0.00 C ATOM 677 O CYS A 46 11.218 -9.257 1.364 1.00 0.00 O ATOM 678 CB CYS A 46 9.375 -11.247 2.312 1.00 0.00 C ATOM 679 SG CYS A 46 8.090 -10.839 1.110 1.00 0.00 S ATOM 0 H CYS A 46 8.118 -10.115 4.129 1.00 0.00 H new ATOM 0 HA CYS A 46 10.830 -10.500 3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.198 -11.718 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.970 -11.996 2.993 1.00 0.00 H new ATOM 684 N GLU A 47 9.977 -7.765 2.524 1.00 0.00 N ATOM 685 CA GLU A 47 10.379 -6.630 1.711 1.00 0.00 C ATOM 686 C GLU A 47 9.473 -6.509 0.484 1.00 0.00 C ATOM 687 O GLU A 47 9.539 -5.521 -0.246 1.00 0.00 O ATOM 688 CB GLU A 47 11.848 -6.744 1.299 1.00 0.00 C ATOM 689 CG GLU A 47 12.468 -5.361 1.090 1.00 0.00 C ATOM 690 CD GLU A 47 13.258 -4.922 2.324 1.00 0.00 C ATOM 691 OE1 GLU A 47 14.218 -5.600 2.719 1.00 0.00 O ATOM 692 OE2 GLU A 47 12.844 -3.832 2.878 1.00 0.00 O ATOM 0 H GLU A 47 9.329 -7.540 3.279 1.00 0.00 H new ATOM 0 HA GLU A 47 10.272 -5.724 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.404 -7.283 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.928 -7.325 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.126 -5.381 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.683 -4.635 0.879 1.00 0.00 H new ATOM 700 N GLY A 48 8.648 -7.528 0.294 1.00 0.00 N ATOM 701 CA GLY A 48 7.730 -7.549 -0.832 1.00 0.00 C ATOM 702 C GLY A 48 8.283 -8.402 -1.975 1.00 0.00 C ATOM 703 O GLY A 48 7.983 -8.154 -3.141 1.00 0.00 O ATOM 0 H GLY A 48 8.596 -8.346 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.766 -7.944 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.557 -6.532 -1.184 1.00 0.00 H new ATOM 707 N THR A 49 9.081 -9.391 -1.599 1.00 0.00 N ATOM 708 CA THR A 49 9.679 -10.283 -2.578 1.00 0.00 C ATOM 709 C THR A 49 8.854 -11.566 -2.705 1.00 0.00 C ATOM 710 O THR A 49 9.249 -12.495 -3.407 1.00 0.00 O ATOM 711 CB THR A 49 11.131 -10.533 -2.166 1.00 0.00 C ATOM 712 OG1 THR A 49 11.029 -11.098 -0.862 1.00 0.00 O ATOM 713 CG2 THR A 49 11.910 -9.234 -1.950 1.00 0.00 C ATOM 0 H THR A 49 9.327 -9.594 -0.630 1.00 0.00 H new ATOM 0 HA THR A 49 9.681 -9.835 -3.572 1.00 0.00 H new ATOM 0 HB THR A 49 11.628 -11.131 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.107 -10.388 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.934 -9.468 -1.659 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.918 -8.657 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.433 -8.651 -1.162 1.00 0.00 H new ATOM 721 N LEU A 50 7.723 -11.574 -2.015 1.00 0.00 N ATOM 722 CA LEU A 50 6.839 -12.727 -2.042 1.00 0.00 C ATOM 723 C LEU A 50 7.466 -13.864 -1.232 1.00 0.00 C ATOM 724 O LEU A 50 8.026 -14.800 -1.801 1.00 0.00 O ATOM 725 CB LEU A 50 6.503 -13.112 -3.484 1.00 0.00 C ATOM 726 CG LEU A 50 5.977 -11.984 -4.374 1.00 0.00 C ATOM 727 CD1 LEU A 50 5.739 -12.478 -5.802 1.00 0.00 C ATOM 728 CD2 LEU A 50 4.722 -11.350 -3.770 1.00 0.00 C ATOM 0 H LEU A 50 7.399 -10.801 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 50 5.886 -12.487 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.399 -13.525 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.759 -13.908 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 50 6.738 -11.206 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.365 -11.657 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.676 -12.845 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.006 -13.285 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.368 -10.551 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.944 -12.107 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.958 -10.939 -2.788 1.00 0.00 H new ATOM 740 N ALA A 51 7.351 -13.745 0.082 1.00 0.00 N ATOM 741 CA ALA A 51 7.900 -14.751 0.976 1.00 0.00 C ATOM 742 C ALA A 51 7.512 -14.413 2.417 1.00 0.00 C ATOM 743 O ALA A 51 8.252 -14.721 3.350 1.00 0.00 O ATOM 744 CB ALA A 51 9.415 -14.833 0.783 1.00 0.00 C ATOM 0 H ALA A 51 6.886 -12.967 0.550 1.00 0.00 H new ATOM 0 HA ALA A 51 7.489 -15.734 0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.827 -15.587 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.636 -15.105 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.863 -13.865 1.007 1.00 0.00 H new ATOM 750 N CYS A 52 6.354 -13.784 2.552 1.00 0.00 N ATOM 751 CA CYS A 52 5.860 -13.400 3.864 1.00 0.00 C ATOM 752 C CYS A 52 4.343 -13.595 3.881 1.00 0.00 C ATOM 753 O CYS A 52 3.797 -14.168 4.823 1.00 0.00 O ATOM 754 CB CYS A 52 6.256 -11.966 4.221 1.00 0.00 C ATOM 755 SG CYS A 52 5.450 -10.791 3.073 1.00 0.00 S ATOM 0 H CYS A 52 5.744 -13.531 1.775 1.00 0.00 H new ATOM 0 HA CYS A 52 6.315 -14.032 4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.963 -11.744 5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.339 -11.855 4.167 1.00 0.00 H new ATOM 0 HG CYS A 52 6.222 -10.588 2.047 1.00 0.00 H new ATOM 761 N SER A 53 3.704 -13.106 2.829 1.00 0.00 N ATOM 762 CA SER A 53 2.260 -13.218 2.711 1.00 0.00 C ATOM 763 C SER A 53 1.581 -12.470 3.860 1.00 0.00 C ATOM 764 O SER A 53 0.378 -12.613 4.074 1.00 0.00 O ATOM 765 CB SER A 53 1.821 -14.684 2.700 1.00 0.00 C ATOM 766 OG SER A 53 0.466 -14.839 3.114 1.00 0.00 O ATOM 0 H SER A 53 4.160 -12.631 2.050 1.00 0.00 H new ATOM 0 HA SER A 53 1.958 -12.769 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.942 -15.091 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.470 -15.262 3.359 1.00 0.00 H new ATOM 0 HG SER A 53 0.008 -13.974 3.065 1.00 0.00 H new ATOM 772 N THR A 54 2.382 -11.687 4.569 1.00 0.00 N ATOM 773 CA THR A 54 1.873 -10.916 5.690 1.00 0.00 C ATOM 774 C THR A 54 1.680 -9.452 5.286 1.00 0.00 C ATOM 775 O THR A 54 1.674 -8.565 6.139 1.00 0.00 O ATOM 776 CB THR A 54 2.835 -11.100 6.865 1.00 0.00 C ATOM 777 OG1 THR A 54 4.120 -10.843 6.306 1.00 0.00 O ATOM 778 CG2 THR A 54 2.916 -12.554 7.333 1.00 0.00 C ATOM 0 H THR A 54 3.379 -11.570 4.389 1.00 0.00 H new ATOM 0 HA THR A 54 0.889 -11.268 5.999 1.00 0.00 H new ATOM 0 HB THR A 54 2.518 -10.469 7.695 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.804 -10.939 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.612 -12.629 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.929 -12.889 7.652 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.265 -13.181 6.513 1.00 0.00 H new ATOM 786 N CYS A 55 1.527 -9.246 3.987 1.00 0.00 N ATOM 787 CA CYS A 55 1.334 -7.905 3.460 1.00 0.00 C ATOM 788 C CYS A 55 -0.148 -7.731 3.122 1.00 0.00 C ATOM 789 O CYS A 55 -1.008 -7.889 3.987 1.00 0.00 O ATOM 790 CB CYS A 55 2.231 -7.639 2.249 1.00 0.00 C ATOM 791 SG CYS A 55 2.315 -5.841 1.917 1.00 0.00 S ATOM 0 H CYS A 55 1.533 -9.984 3.283 1.00 0.00 H new ATOM 0 HA CYS A 55 1.623 -7.170 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.231 -8.030 2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.841 -8.161 1.375 1.00 0.00 H new ATOM 0 HG CYS A 55 3.558 -5.480 1.792 1.00 0.00 H new ATOM 797 N HIS A 56 -0.400 -7.407 1.862 1.00 0.00 N ATOM 798 CA HIS A 56 -1.763 -7.209 1.399 1.00 0.00 C ATOM 799 C HIS A 56 -2.403 -6.051 2.167 1.00 0.00 C ATOM 800 O HIS A 56 -2.439 -6.061 3.396 1.00 0.00 O ATOM 801 CB HIS A 56 -2.567 -8.507 1.506 1.00 0.00 C ATOM 802 CG HIS A 56 -3.076 -8.801 2.897 1.00 0.00 C ATOM 803 ND1 HIS A 56 -3.947 -7.962 3.569 1.00 0.00 N ATOM 804 CD2 HIS A 56 -2.829 -9.850 3.733 1.00 0.00 C ATOM 805 CE1 HIS A 56 -4.205 -8.492 4.756 1.00 0.00 C ATOM 0 H HIS A 56 0.316 -7.277 1.148 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.756 -6.939 0.343 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.415 -8.454 0.823 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.943 -9.337 1.175 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.326 -7.085 3.212 1.00 0.00 H new ATOM 814 N LEU A 57 -2.893 -5.080 1.410 1.00 0.00 N ATOM 815 CA LEU A 57 -3.529 -3.917 2.004 1.00 0.00 C ATOM 816 C LEU A 57 -4.730 -3.506 1.149 1.00 0.00 C ATOM 817 O LEU A 57 -4.900 -3.996 0.034 1.00 0.00 O ATOM 818 CB LEU A 57 -2.510 -2.795 2.210 1.00 0.00 C ATOM 819 CG LEU A 57 -1.564 -2.959 3.401 1.00 0.00 C ATOM 820 CD1 LEU A 57 -2.342 -3.272 4.681 1.00 0.00 C ATOM 821 CD2 LEU A 57 -0.493 -4.013 3.110 1.00 0.00 C ATOM 0 H LEU A 57 -2.862 -5.075 0.390 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.910 -4.157 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.910 -2.705 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.051 -1.856 2.328 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.049 -2.012 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.646 -3.384 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.034 -2.457 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.901 -4.198 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.166 -4.110 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.971 -4.972 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.090 -3.709 2.240 1.00 0.00 H new ATOM 833 N ILE A 58 -5.534 -2.611 1.705 1.00 0.00 N ATOM 834 CA ILE A 58 -6.714 -2.129 1.008 1.00 0.00 C ATOM 835 C ILE A 58 -6.425 -0.747 0.420 1.00 0.00 C ATOM 836 O ILE A 58 -5.813 0.095 1.076 1.00 0.00 O ATOM 837 CB ILE A 58 -7.933 -2.162 1.933 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.894 -3.387 2.849 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.233 -2.087 1.129 1.00 0.00 C ATOM 840 CD1 ILE A 58 -9.306 -3.808 3.261 1.00 0.00 C ATOM 0 H ILE A 58 -5.391 -2.207 2.631 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.958 -2.786 0.173 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.900 -1.281 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.399 -4.213 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.304 -3.163 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.084 -2.112 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.254 -1.160 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.289 -2.936 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.250 -4.681 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.789 -2.989 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.886 -4.055 2.372 1.00 0.00 H new ATOM 852 N PHE A 59 -6.878 -0.556 -0.810 1.00 0.00 N ATOM 853 CA PHE A 59 -6.676 0.710 -1.494 1.00 0.00 C ATOM 854 C PHE A 59 -7.972 1.521 -1.541 1.00 0.00 C ATOM 855 O PHE A 59 -9.064 0.954 -1.544 1.00 0.00 O ATOM 856 CB PHE A 59 -6.242 0.381 -2.924 1.00 0.00 C ATOM 857 CG PHE A 59 -5.309 -0.827 -3.029 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.522 -1.172 -1.975 1.00 0.00 C ATOM 859 CD2 PHE A 59 -5.268 -1.557 -4.176 1.00 0.00 C ATOM 860 CE1 PHE A 59 -3.656 -2.294 -2.073 1.00 0.00 C ATOM 861 CE2 PHE A 59 -4.402 -2.678 -4.274 1.00 0.00 C ATOM 862 CZ PHE A 59 -3.615 -3.023 -3.220 1.00 0.00 C ATOM 0 H PHE A 59 -7.384 -1.257 -1.351 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.928 1.302 -0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.130 0.195 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.743 1.251 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.555 -0.593 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.894 -1.284 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.030 -2.568 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.368 -3.256 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.957 -3.876 -3.294 1.00 0.00 H new ATOM 872 N GLU A 60 -7.809 2.835 -1.577 1.00 0.00 N ATOM 873 CA GLU A 60 -8.953 3.730 -1.624 1.00 0.00 C ATOM 874 C GLU A 60 -9.736 3.524 -2.922 1.00 0.00 C ATOM 875 O GLU A 60 -9.206 2.983 -3.891 1.00 0.00 O ATOM 876 CB GLU A 60 -8.514 5.189 -1.474 1.00 0.00 C ATOM 877 CG GLU A 60 -9.474 5.959 -0.565 1.00 0.00 C ATOM 878 CD GLU A 60 -9.160 7.457 -0.580 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.989 7.846 -0.458 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.184 8.227 -0.727 1.00 0.00 O ATOM 0 H GLU A 60 -6.902 3.302 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.609 3.494 -0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.506 5.229 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.476 5.664 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.501 5.796 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.400 5.578 0.454 1.00 0.00 H new ATOM 888 N GLN A 61 -10.985 3.966 -2.899 1.00 0.00 N ATOM 889 CA GLN A 61 -11.846 3.836 -4.062 1.00 0.00 C ATOM 890 C GLN A 61 -11.348 4.737 -5.194 1.00 0.00 C ATOM 891 O GLN A 61 -10.992 5.891 -4.963 1.00 0.00 O ATOM 892 CB GLN A 61 -13.299 4.155 -3.706 1.00 0.00 C ATOM 893 CG GLN A 61 -14.062 2.885 -3.324 1.00 0.00 C ATOM 894 CD GLN A 61 -15.507 3.208 -2.940 1.00 0.00 C ATOM 895 OE1 GLN A 61 -15.825 3.489 -1.796 1.00 0.00 O ATOM 896 NE2 GLN A 61 -16.363 3.152 -3.957 1.00 0.00 N ATOM 0 H GLN A 61 -11.421 4.414 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.809 2.802 -4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.327 4.863 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.788 4.636 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.052 2.185 -4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.562 2.393 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.031 2.910 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.352 3.351 -3.803 1.00 0.00 H new ATOM 905 N HIS A 62 -11.339 4.175 -6.394 1.00 0.00 N ATOM 906 CA HIS A 62 -10.891 4.913 -7.562 1.00 0.00 C ATOM 907 C HIS A 62 -9.364 4.870 -7.642 1.00 0.00 C ATOM 908 O HIS A 62 -8.776 5.331 -8.619 1.00 0.00 O ATOM 909 CB HIS A 62 -11.444 6.339 -7.549 1.00 0.00 C ATOM 910 CG HIS A 62 -10.385 7.407 -7.416 1.00 0.00 C ATOM 911 ND1 HIS A 62 -10.201 8.139 -6.256 1.00 0.00 N ATOM 912 CD2 HIS A 62 -9.457 7.858 -8.307 1.00 0.00 C ATOM 913 CE1 HIS A 62 -9.204 8.990 -6.452 1.00 0.00 C ATOM 0 H HIS A 62 -11.635 3.217 -6.582 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.281 4.443 -8.465 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.004 6.509 -8.469 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -12.150 6.437 -6.724 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -10.741 8.040 -5.396 1.00 0.00 H new ATOM 922 N ILE A 63 -8.765 4.312 -6.600 1.00 0.00 N ATOM 923 CA ILE A 63 -7.317 4.202 -6.540 1.00 0.00 C ATOM 924 C ILE A 63 -6.895 2.808 -7.008 1.00 0.00 C ATOM 925 O ILE A 63 -6.014 2.674 -7.856 1.00 0.00 O ATOM 926 CB ILE A 63 -6.810 4.561 -5.142 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.457 5.854 -4.639 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.283 4.637 -5.114 1.00 0.00 C ATOM 929 CD1 ILE A 63 -7.304 6.978 -5.665 1.00 0.00 C ATOM 0 H ILE A 63 -9.256 3.931 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.853 4.919 -7.217 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.105 3.765 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.514 5.682 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.998 6.152 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.950 4.894 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.865 3.671 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.944 5.400 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.772 7.885 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.245 7.164 -5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.785 6.687 -6.598 1.00 0.00 H new ATOM 941 N PHE A 64 -7.543 1.805 -6.434 1.00 0.00 N ATOM 942 CA PHE A 64 -7.247 0.426 -6.781 1.00 0.00 C ATOM 943 C PHE A 64 -7.383 0.198 -8.288 1.00 0.00 C ATOM 944 O PHE A 64 -6.564 -0.493 -8.892 1.00 0.00 O ATOM 945 CB PHE A 64 -8.267 -0.449 -6.051 1.00 0.00 C ATOM 946 CG PHE A 64 -8.704 -1.685 -6.839 1.00 0.00 C ATOM 947 CD1 PHE A 64 -7.776 -2.580 -7.272 1.00 0.00 C ATOM 948 CD2 PHE A 64 -10.022 -1.890 -7.107 1.00 0.00 C ATOM 949 CE1 PHE A 64 -8.181 -3.727 -8.004 1.00 0.00 C ATOM 950 CE2 PHE A 64 -10.428 -3.038 -7.839 1.00 0.00 C ATOM 951 CZ PHE A 64 -9.499 -3.932 -8.272 1.00 0.00 C ATOM 0 H PHE A 64 -8.272 1.920 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.224 0.183 -6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.841 -0.769 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.147 0.152 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.730 -2.418 -7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.760 -1.180 -6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.443 -4.437 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.474 -3.201 -8.052 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.808 -4.805 -8.829 1.00 0.00 H new ATOM 961 N GLU A 65 -8.424 0.793 -8.852 1.00 0.00 N ATOM 962 CA GLU A 65 -8.679 0.664 -10.277 1.00 0.00 C ATOM 963 C GLU A 65 -7.587 1.378 -11.078 1.00 0.00 C ATOM 964 O GLU A 65 -7.441 1.146 -12.277 1.00 0.00 O ATOM 965 CB GLU A 65 -10.064 1.203 -10.637 1.00 0.00 C ATOM 966 CG GLU A 65 -10.111 2.727 -10.509 1.00 0.00 C ATOM 967 CD GLU A 65 -11.349 3.298 -11.202 1.00 0.00 C ATOM 968 OE1 GLU A 65 -12.469 2.822 -10.962 1.00 0.00 O ATOM 969 OE2 GLU A 65 -11.119 4.271 -12.016 1.00 0.00 O ATOM 0 H GLU A 65 -9.101 1.366 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.659 -0.395 -10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.317 0.912 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.813 0.757 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.118 3.007 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.212 3.160 -10.948 1.00 0.00 H new ATOM 977 N LYS A 66 -6.850 2.231 -10.382 1.00 0.00 N ATOM 978 CA LYS A 66 -5.777 2.980 -11.014 1.00 0.00 C ATOM 979 C LYS A 66 -4.474 2.184 -10.907 1.00 0.00 C ATOM 980 O LYS A 66 -3.693 2.136 -11.856 1.00 0.00 O ATOM 981 CB LYS A 66 -5.687 4.388 -10.423 1.00 0.00 C ATOM 982 CG LYS A 66 -6.761 5.302 -11.017 1.00 0.00 C ATOM 983 CD LYS A 66 -6.428 6.774 -10.768 1.00 0.00 C ATOM 984 CE LYS A 66 -6.826 7.636 -11.967 1.00 0.00 C ATOM 0 H LYS A 66 -6.974 2.420 -9.387 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.982 3.117 -12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.804 4.340 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.700 4.806 -10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.845 5.121 -12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.729 5.065 -10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.949 7.123 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.360 6.882 -10.576 1.00 0.00 H new ATOM 998 N LEU A 67 -4.281 1.580 -9.744 1.00 0.00 N ATOM 999 CA LEU A 67 -3.086 0.789 -9.501 1.00 0.00 C ATOM 1000 C LEU A 67 -2.862 -0.163 -10.678 1.00 0.00 C ATOM 1001 O LEU A 67 -3.818 -0.606 -11.314 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.178 0.082 -8.148 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.370 0.987 -6.929 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.609 0.161 -5.664 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.192 1.950 -6.771 1.00 0.00 C ATOM 0 H LEU A 67 -4.932 1.622 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.209 1.433 -9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.007 -0.624 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.269 -0.501 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.262 1.592 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.742 0.829 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.504 -0.448 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.751 -0.487 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.353 2.582 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.271 1.381 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.111 2.575 -7.661 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.594 -0.449 -10.933 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.232 -1.340 -12.023 1.00 0.00 C ATOM 1019 C GLU A 68 -1.750 -2.753 -11.747 1.00 0.00 C ATOM 1020 O GLU A 68 -2.156 -3.062 -10.628 1.00 0.00 O ATOM 1021 CB GLU A 68 0.281 -1.344 -12.248 1.00 0.00 C ATOM 1022 CG GLU A 68 0.749 -0.020 -12.855 1.00 0.00 C ATOM 1023 CD GLU A 68 0.836 -0.117 -14.380 1.00 0.00 C ATOM 1024 OE1 GLU A 68 1.097 -1.203 -14.918 1.00 0.00 O ATOM 1025 OE2 GLU A 68 0.619 0.988 -15.009 1.00 0.00 O ATOM 0 H GLU A 68 -0.804 -0.080 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.701 -0.975 -12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.793 -1.515 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.552 -2.167 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.059 0.776 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.724 0.247 -12.448 1.00 0.00 H new ATOM 1033 N ALA A 69 -1.719 -3.573 -12.787 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.180 -4.946 -12.671 1.00 0.00 C ATOM 1035 C ALA A 69 -1.124 -5.774 -11.935 1.00 0.00 C ATOM 1036 O ALA A 69 -0.102 -5.241 -11.504 1.00 0.00 O ATOM 1037 CB ALA A 69 -2.488 -5.501 -14.063 1.00 0.00 C ATOM 0 H ALA A 69 -1.382 -3.313 -13.714 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.101 -4.993 -12.090 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.834 -6.531 -13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.264 -4.896 -14.532 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.586 -5.472 -14.674 1.00 0.00 H new ATOM 1043 N ILE A 70 -1.407 -7.062 -11.813 1.00 0.00 N ATOM 1044 CA ILE A 70 -0.495 -7.969 -11.137 1.00 0.00 C ATOM 1045 C ILE A 70 -0.443 -9.295 -11.897 1.00 0.00 C ATOM 1046 O ILE A 70 -1.360 -9.619 -12.651 1.00 0.00 O ATOM 1047 CB ILE A 70 -0.882 -8.119 -9.664 1.00 0.00 C ATOM 1048 CG1 ILE A 70 0.358 -8.309 -8.788 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -1.896 -9.249 -9.477 1.00 0.00 C ATOM 1050 CD1 ILE A 70 0.942 -6.961 -8.363 1.00 0.00 C ATOM 0 H ILE A 70 -2.256 -7.500 -12.171 1.00 0.00 H new ATOM 0 HA ILE A 70 0.516 -7.562 -11.137 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.365 -7.197 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.097 -8.891 -7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.110 -8.879 -9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.155 -9.335 -8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.795 -9.031 -10.054 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.462 -10.188 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.822 -7.126 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.224 -6.391 -9.248 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.196 -6.404 -7.796 1.00 0.00 H new ATOM 1062 N THR A 71 0.639 -10.027 -11.674 1.00 0.00 N ATOM 1063 CA THR A 71 0.822 -11.311 -12.329 1.00 0.00 C ATOM 1064 C THR A 71 0.036 -12.400 -11.596 1.00 0.00 C ATOM 1065 O THR A 71 -0.719 -12.109 -10.670 1.00 0.00 O ATOM 1066 CB THR A 71 2.324 -11.593 -12.406 1.00 0.00 C ATOM 1067 OG1 THR A 71 2.777 -11.432 -11.064 1.00 0.00 O ATOM 1068 CG2 THR A 71 3.082 -10.517 -13.186 1.00 0.00 C ATOM 0 H THR A 71 1.398 -9.755 -11.049 1.00 0.00 H new ATOM 0 HA THR A 71 0.427 -11.297 -13.345 1.00 0.00 H new ATOM 0 HB THR A 71 2.487 -12.564 -12.874 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.742 -11.599 -11.022 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.143 -10.765 -13.211 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.697 -10.467 -14.205 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.946 -9.551 -12.699 1.00 0.00 H new ATOM 1076 N ASP A 72 0.242 -13.633 -12.037 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.437 -14.767 -11.435 1.00 0.00 C ATOM 1078 C ASP A 72 0.249 -15.125 -10.115 1.00 0.00 C ATOM 1079 O ASP A 72 -0.418 -15.419 -9.124 1.00 0.00 O ATOM 1080 CB ASP A 72 -0.376 -15.994 -12.347 1.00 0.00 C ATOM 1081 CG ASP A 72 0.981 -16.240 -13.009 1.00 0.00 C ATOM 1082 OD1 ASP A 72 1.497 -15.385 -13.745 1.00 0.00 O ATOM 1083 OD2 ASP A 72 1.520 -17.381 -12.740 1.00 0.00 O ATOM 0 H ASP A 72 0.870 -13.871 -12.805 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.479 -14.489 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.644 -16.875 -11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.130 -15.886 -13.127 1.00 0.00 H new ATOM 1089 N GLU A 73 1.573 -15.087 -10.144 1.00 0.00 N ATOM 1090 CA GLU A 73 2.357 -15.404 -8.962 1.00 0.00 C ATOM 1091 C GLU A 73 1.916 -14.533 -7.784 1.00 0.00 C ATOM 1092 O GLU A 73 1.535 -15.049 -6.734 1.00 0.00 O ATOM 1093 CB GLU A 73 3.853 -15.239 -9.236 1.00 0.00 C ATOM 1094 CG GLU A 73 4.632 -15.052 -7.933 1.00 0.00 C ATOM 1095 CD GLU A 73 6.140 -15.075 -8.187 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.825 -16.020 -7.768 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.598 -14.065 -8.846 1.00 0.00 O ATOM 0 H GLU A 73 2.123 -14.842 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 73 2.182 -16.448 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.228 -16.115 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.014 -14.380 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.352 -14.105 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.366 -15.841 -7.230 1.00 0.00 H new ATOM 1105 N GLU A 74 1.983 -13.227 -7.997 1.00 0.00 N ATOM 1106 CA GLU A 74 1.595 -12.280 -6.966 1.00 0.00 C ATOM 1107 C GLU A 74 0.115 -12.450 -6.618 1.00 0.00 C ATOM 1108 O GLU A 74 -0.279 -12.276 -5.466 1.00 0.00 O ATOM 1109 CB GLU A 74 1.895 -10.844 -7.400 1.00 0.00 C ATOM 1110 CG GLU A 74 1.807 -9.882 -6.213 1.00 0.00 C ATOM 1111 CD GLU A 74 2.790 -8.721 -6.374 1.00 0.00 C ATOM 1112 OE1 GLU A 74 3.942 -8.936 -6.781 1.00 0.00 O ATOM 1113 OE2 GLU A 74 2.321 -7.562 -6.060 1.00 0.00 O ATOM 0 H GLU A 74 2.300 -12.803 -8.869 1.00 0.00 H new ATOM 0 HA GLU A 74 2.184 -12.485 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.891 -10.794 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.189 -10.539 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.792 -9.494 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.021 -10.419 -5.289 1.00 0.00 H new ATOM 1121 N ASN A 75 -0.664 -12.788 -7.635 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.092 -12.984 -7.451 1.00 0.00 C ATOM 1123 C ASN A 75 -2.322 -14.054 -6.382 1.00 0.00 C ATOM 1124 O ASN A 75 -3.247 -13.945 -5.578 1.00 0.00 O ATOM 1125 CB ASN A 75 -2.754 -13.458 -8.746 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.276 -13.518 -8.594 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -4.980 -12.534 -8.753 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -4.741 -14.723 -8.278 1.00 0.00 N ATOM 0 H ASN A 75 -0.333 -12.931 -8.589 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.528 -12.031 -7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.493 -12.783 -9.561 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.373 -14.443 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.743 -14.866 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.095 -15.504 -8.160 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.466 -15.065 -6.408 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.564 -16.154 -5.452 1.00 0.00 C ATOM 1137 C ASP A 76 -1.260 -15.624 -4.049 1.00 0.00 C ATOM 1138 O ASP A 76 -1.973 -15.936 -3.096 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.554 -17.259 -5.769 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.185 -18.157 -4.586 1.00 0.00 C ATOM 1141 OD1 ASP A 76 -1.028 -18.900 -4.062 1.00 0.00 O ATOM 1142 OD2 ASP A 76 1.042 -18.071 -4.199 1.00 0.00 O ATOM 0 H ASP A 76 -0.701 -15.153 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.573 -16.562 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.958 -17.882 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.356 -16.799 -6.154 1.00 0.00 H new ATOM 1148 N MET A 77 -0.201 -14.833 -3.967 1.00 0.00 N ATOM 1149 CA MET A 77 0.206 -14.257 -2.696 1.00 0.00 C ATOM 1150 C MET A 77 -0.800 -13.205 -2.224 1.00 0.00 C ATOM 1151 O MET A 77 -0.791 -12.811 -1.059 1.00 0.00 O ATOM 1152 CB MET A 77 1.586 -13.613 -2.846 1.00 0.00 C ATOM 1153 CG MET A 77 2.271 -13.463 -1.486 1.00 0.00 C ATOM 1154 SD MET A 77 2.652 -15.073 -0.814 1.00 0.00 S ATOM 1155 CE MET A 77 3.668 -15.725 -2.128 1.00 0.00 C ATOM 0 H MET A 77 0.388 -14.577 -4.760 1.00 0.00 H new ATOM 0 HA MET A 77 0.246 -15.054 -1.953 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.206 -14.222 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.486 -12.635 -3.317 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.185 -12.879 -1.592 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.622 -12.918 -0.801 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.504 -16.279 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.072 -16.391 -2.752 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.049 -14.904 -2.735 1.00 0.00 H new ATOM 1165 N LEU A 78 -1.643 -12.779 -3.153 1.00 0.00 N ATOM 1166 CA LEU A 78 -2.653 -11.780 -2.847 1.00 0.00 C ATOM 1167 C LEU A 78 -3.922 -12.479 -2.354 1.00 0.00 C ATOM 1168 O LEU A 78 -4.865 -11.823 -1.916 1.00 0.00 O ATOM 1169 CB LEU A 78 -2.883 -10.865 -4.051 1.00 0.00 C ATOM 1170 CG LEU A 78 -4.274 -10.930 -4.686 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -5.266 -10.047 -3.926 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -4.214 -10.575 -6.173 1.00 0.00 C ATOM 0 H LEU A 78 -1.647 -13.108 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.314 -11.129 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.694 -9.837 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.145 -11.110 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.635 -11.956 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.246 -10.112 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.338 -10.386 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.922 -9.013 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.215 -10.629 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.823 -9.564 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.561 -11.279 -6.689 1.00 0.00 H new ATOM 1184 N ASP A 79 -3.903 -13.801 -2.441 1.00 0.00 N ATOM 1185 CA ASP A 79 -5.040 -14.595 -2.009 1.00 0.00 C ATOM 1186 C ASP A 79 -5.061 -14.660 -0.481 1.00 0.00 C ATOM 1187 O ASP A 79 -6.095 -14.420 0.141 1.00 0.00 O ATOM 1188 CB ASP A 79 -4.946 -16.027 -2.542 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.651 -17.092 -1.484 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -3.613 -17.768 -1.531 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -5.553 -17.217 -0.570 1.00 0.00 O ATOM 0 H ASP A 79 -3.118 -14.342 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.945 -14.125 -2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.885 -16.277 -3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.166 -16.065 -3.302 1.00 0.00 H new ATOM 1197 N LEU A 80 -3.906 -14.985 0.081 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.778 -15.084 1.525 1.00 0.00 C ATOM 1199 C LEU A 80 -4.483 -13.893 2.178 1.00 0.00 C ATOM 1200 O LEU A 80 -4.976 -13.998 3.300 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.308 -15.224 1.925 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.801 -16.652 2.132 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -2.224 -17.191 3.501 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.256 -17.566 0.992 1.00 0.00 C ATOM 0 H LEU A 80 -3.050 -15.183 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.270 -15.986 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.697 -14.751 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.149 -14.666 2.848 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.711 -16.633 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.851 -18.208 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.811 -16.557 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.312 -17.193 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.882 -18.575 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.345 -17.584 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.865 -17.190 0.046 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.507 -12.788 1.448 1.00 0.00 N ATOM 1217 CA ALA A 81 -5.143 -11.579 1.942 1.00 0.00 C ATOM 1218 C ALA A 81 -6.459 -11.945 2.632 1.00 0.00 C ATOM 1219 O ALA A 81 -7.168 -12.846 2.186 1.00 0.00 O ATOM 1220 CB ALA A 81 -5.345 -10.598 0.785 1.00 0.00 C ATOM 0 H ALA A 81 -4.096 -12.705 0.518 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.509 -11.087 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.822 -9.691 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.379 -10.347 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.978 -11.057 0.026 1.00 0.00 H new ATOM 1226 N TYR A 82 -6.746 -11.227 3.708 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.964 -11.465 4.464 1.00 0.00 C ATOM 1228 C TYR A 82 -9.120 -10.625 3.919 1.00 0.00 C ATOM 1229 O TYR A 82 -8.912 -9.506 3.452 1.00 0.00 O ATOM 1230 CB TYR A 82 -7.662 -11.028 5.898 1.00 0.00 C ATOM 1231 CG TYR A 82 -7.743 -12.160 6.924 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -6.861 -13.219 6.854 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -8.698 -12.121 7.920 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -6.937 -14.284 7.820 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -8.774 -13.187 8.886 1.00 0.00 C ATOM 1236 CZ TYR A 82 -7.890 -14.216 8.788 1.00 0.00 C ATOM 1237 OH TYR A 82 -7.962 -15.222 9.700 1.00 0.00 O ATOM 0 H TYR A 82 -6.156 -10.480 4.074 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.258 -12.513 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.664 -10.592 5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.362 -10.243 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.114 -13.249 6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.388 -11.292 7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.252 -15.118 7.777 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.516 -13.169 9.670 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.689 -15.039 10.332 1.00 0.00 H new ATOM 1247 N GLY A 83 -10.313 -11.196 3.997 1.00 0.00 N ATOM 1248 CA GLY A 83 -11.502 -10.513 3.517 1.00 0.00 C ATOM 1249 C GLY A 83 -11.205 -9.725 2.239 1.00 0.00 C ATOM 1250 O GLY A 83 -11.617 -8.574 2.106 1.00 0.00 O ATOM 0 H GLY A 83 -10.482 -12.124 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.291 -11.240 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.873 -9.837 4.287 1.00 0.00 H new ATOM 1254 N LEU A 84 -10.492 -10.378 1.333 1.00 0.00 N ATOM 1255 CA LEU A 84 -10.135 -9.753 0.071 1.00 0.00 C ATOM 1256 C LEU A 84 -11.322 -8.936 -0.443 1.00 0.00 C ATOM 1257 O LEU A 84 -12.321 -9.498 -0.889 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.634 -10.802 -0.924 1.00 0.00 C ATOM 1259 CG LEU A 84 -8.125 -11.053 -0.930 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -7.788 -12.349 -1.671 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -7.371 -9.852 -1.506 1.00 0.00 C ATOM 0 H LEU A 84 -10.152 -11.333 1.448 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.307 -9.059 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.138 -11.745 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.936 -10.497 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.795 -11.176 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.709 -12.504 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.280 -13.188 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.135 -12.279 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.300 -10.057 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.699 -9.673 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.576 -8.969 -0.900 1.00 0.00 H new ATOM 1273 N THR A 85 -11.174 -7.622 -0.364 1.00 0.00 N ATOM 1274 CA THR A 85 -12.221 -6.722 -0.815 1.00 0.00 C ATOM 1275 C THR A 85 -12.227 -6.634 -2.342 1.00 0.00 C ATOM 1276 O THR A 85 -11.570 -7.426 -3.016 1.00 0.00 O ATOM 1277 CB THR A 85 -12.011 -5.370 -0.129 1.00 0.00 C ATOM 1278 OG1 THR A 85 -10.981 -4.749 -0.894 1.00 0.00 O ATOM 1279 CG2 THR A 85 -11.406 -5.510 1.268 1.00 0.00 C ATOM 0 H THR A 85 -10.344 -7.159 0.006 1.00 0.00 H new ATOM 0 HA THR A 85 -13.208 -7.093 -0.538 1.00 0.00 H new ATOM 0 HB THR A 85 -12.964 -4.846 -0.060 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.727 -3.901 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.278 -4.522 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.071 -6.104 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.437 -6.004 1.197 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.977 -5.663 -2.845 1.00 0.00 N ATOM 1288 CA ASP A 86 -13.077 -5.462 -4.280 1.00 0.00 C ATOM 1289 C ASP A 86 -11.985 -4.489 -4.731 1.00 0.00 C ATOM 1290 O ASP A 86 -11.930 -4.111 -5.901 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.432 -4.860 -4.658 1.00 0.00 C ATOM 1292 CG ASP A 86 -15.038 -5.396 -5.957 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.969 -6.601 -6.244 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -15.607 -4.509 -6.700 1.00 0.00 O ATOM 0 H ASP A 86 -13.521 -5.008 -2.284 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.965 -6.431 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.134 -5.044 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.321 -3.779 -4.745 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.143 -4.112 -3.781 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.056 -3.191 -4.066 1.00 0.00 C ATOM 1302 C ARG A 87 -8.834 -3.531 -3.210 1.00 0.00 C ATOM 1303 O ARG A 87 -8.009 -2.664 -2.927 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.474 -1.745 -3.794 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.464 -1.444 -2.294 1.00 0.00 C ATOM 1306 CD ARG A 87 -11.445 -0.321 -1.954 1.00 0.00 C ATOM 1307 NE ARG A 87 -12.830 -0.751 -2.251 1.00 0.00 N ATOM 1308 CZ ARG A 87 -13.475 -0.479 -3.405 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -12.866 0.226 -4.382 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -14.712 -0.912 -3.564 1.00 0.00 N ATOM 0 H ARG A 87 -11.191 -4.428 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.804 -3.292 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.797 -1.064 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.471 -1.569 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.728 -2.343 -1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.459 -1.160 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.356 -0.056 -0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.202 0.572 -2.529 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.328 -1.286 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.910 0.558 -4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.361 0.427 -5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.166 -1.443 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.214 -0.715 -4.430 1.00 0.00 H new ATOM 1323 N SER A 88 -8.756 -4.796 -2.823 1.00 0.00 N ATOM 1324 CA SER A 88 -7.648 -5.261 -2.006 1.00 0.00 C ATOM 1325 C SER A 88 -6.699 -6.115 -2.848 1.00 0.00 C ATOM 1326 O SER A 88 -7.142 -6.926 -3.660 1.00 0.00 O ATOM 1327 CB SER A 88 -8.150 -6.059 -0.800 1.00 0.00 C ATOM 1328 OG SER A 88 -7.079 -6.621 -0.048 1.00 0.00 O ATOM 0 H SER A 88 -9.442 -5.513 -3.060 1.00 0.00 H new ATOM 0 HA SER A 88 -7.109 -4.390 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.743 -5.409 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.810 -6.856 -1.142 1.00 0.00 H new ATOM 0 HG SER A 88 -7.441 -7.121 0.713 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.410 -5.904 -2.626 1.00 0.00 N ATOM 1335 CA ARG A 89 -4.393 -6.644 -3.355 1.00 0.00 C ATOM 1336 C ARG A 89 -3.061 -6.595 -2.605 1.00 0.00 C ATOM 1337 O ARG A 89 -2.928 -5.877 -1.615 1.00 0.00 O ATOM 1338 CB ARG A 89 -4.200 -6.074 -4.762 1.00 0.00 C ATOM 1339 CG ARG A 89 -4.571 -7.108 -5.827 1.00 0.00 C ATOM 1340 CD ARG A 89 -4.503 -6.499 -7.229 1.00 0.00 C ATOM 1341 NE ARG A 89 -3.122 -6.051 -7.520 1.00 0.00 N ATOM 1342 CZ ARG A 89 -2.812 -5.079 -8.404 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -3.784 -4.444 -9.092 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -1.544 -4.759 -8.584 1.00 0.00 N ATOM 0 H ARG A 89 -5.046 -5.231 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.730 -7.678 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.815 -5.183 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.163 -5.766 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.894 -7.960 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.576 -7.485 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.819 -7.234 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.191 -5.656 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.357 -6.505 -7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.761 -4.697 -8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.541 -3.711 -9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.816 -5.244 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.292 -4.027 -9.248 1.00 0.00 H new ATOM 1357 N LEU A 90 -2.108 -7.367 -3.106 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.790 -7.420 -2.496 1.00 0.00 C ATOM 1359 C LEU A 90 0.000 -6.171 -2.888 1.00 0.00 C ATOM 1360 O LEU A 90 0.207 -5.909 -4.073 1.00 0.00 O ATOM 1361 CB LEU A 90 -0.087 -8.731 -2.854 1.00 0.00 C ATOM 1362 CG LEU A 90 1.214 -9.021 -2.102 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.109 -10.324 -1.306 1.00 0.00 C ATOM 1364 CD2 LEU A 90 2.409 -9.028 -3.057 1.00 0.00 C ATOM 0 H LEU A 90 -2.222 -7.961 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.873 -7.416 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.779 -9.553 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.128 -8.725 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 90 1.380 -8.218 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.047 -10.506 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.298 -10.244 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.907 -11.151 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.321 -9.236 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.265 -9.798 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.494 -8.055 -3.540 1.00 0.00 H new ATOM 1376 N GLY A 91 0.421 -5.432 -1.872 1.00 0.00 N ATOM 1377 CA GLY A 91 1.185 -4.216 -2.097 1.00 0.00 C ATOM 1378 C GLY A 91 2.687 -4.483 -1.984 1.00 0.00 C ATOM 1379 O GLY A 91 3.175 -5.512 -2.450 1.00 0.00 O ATOM 0 H GLY A 91 0.248 -5.652 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.956 -3.816 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.891 -3.458 -1.371 1.00 0.00 H new ATOM 1383 N CYS A 92 3.378 -3.539 -1.363 1.00 0.00 N ATOM 1384 CA CYS A 92 4.815 -3.660 -1.183 1.00 0.00 C ATOM 1385 C CYS A 92 5.455 -3.868 -2.557 1.00 0.00 C ATOM 1386 O CYS A 92 6.325 -4.723 -2.717 1.00 0.00 O ATOM 1387 CB CYS A 92 5.171 -4.786 -0.211 1.00 0.00 C ATOM 1388 SG CYS A 92 4.808 -4.269 1.506 1.00 0.00 S ATOM 0 H CYS A 92 2.970 -2.687 -0.978 1.00 0.00 H new ATOM 0 HA CYS A 92 5.206 -2.746 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.603 -5.683 -0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.226 -5.041 -0.307 1.00 0.00 H new ATOM 0 HG CYS A 92 3.524 -4.306 1.708 1.00 0.00 H new ATOM 1394 N GLN A 93 5.001 -3.072 -3.513 1.00 0.00 N ATOM 1395 CA GLN A 93 5.518 -3.158 -4.868 1.00 0.00 C ATOM 1396 C GLN A 93 5.257 -1.852 -5.620 1.00 0.00 C ATOM 1397 O GLN A 93 4.808 -0.870 -5.030 1.00 0.00 O ATOM 1398 CB GLN A 93 4.911 -4.349 -5.612 1.00 0.00 C ATOM 1399 CG GLN A 93 5.950 -5.454 -5.818 1.00 0.00 C ATOM 1400 CD GLN A 93 5.691 -6.633 -4.878 1.00 0.00 C ATOM 1401 OE1 GLN A 93 4.945 -6.541 -3.917 1.00 0.00 O ATOM 1402 NE2 GLN A 93 6.347 -7.742 -5.207 1.00 0.00 N ATOM 0 H GLN A 93 4.280 -2.364 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 93 6.595 -3.315 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.064 -4.741 -5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.527 -4.021 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.922 -5.796 -6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.949 -5.056 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.956 -7.751 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.241 -8.584 -4.641 1.00 0.00 H new ATOM 1411 N ILE A 94 5.550 -1.881 -6.912 1.00 0.00 N ATOM 1412 CA ILE A 94 5.353 -0.711 -7.751 1.00 0.00 C ATOM 1413 C ILE A 94 5.849 0.532 -7.010 1.00 0.00 C ATOM 1414 O ILE A 94 6.613 0.425 -6.052 1.00 0.00 O ATOM 1415 CB ILE A 94 3.895 -0.617 -8.205 1.00 0.00 C ATOM 1416 CG1 ILE A 94 2.984 -0.221 -7.041 1.00 0.00 C ATOM 1417 CG2 ILE A 94 3.442 -1.918 -8.870 1.00 0.00 C ATOM 1418 CD1 ILE A 94 1.711 0.461 -7.549 1.00 0.00 C ATOM 0 H ILE A 94 5.922 -2.697 -7.398 1.00 0.00 H new ATOM 0 HA ILE A 94 5.942 -0.793 -8.665 1.00 0.00 H new ATOM 0 HB ILE A 94 3.821 0.170 -8.955 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.721 -1.107 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.518 0.451 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.402 -1.824 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.066 -2.118 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.534 -2.740 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.081 0.732 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.977 1.359 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.168 -0.223 -8.201 1.00 0.00 H new ATOM 1430 N CYS A 95 5.392 1.684 -7.480 1.00 0.00 N ATOM 1431 CA CYS A 95 5.780 2.946 -6.874 1.00 0.00 C ATOM 1432 C CYS A 95 4.554 3.862 -6.847 1.00 0.00 C ATOM 1433 O CYS A 95 3.633 3.695 -7.644 1.00 0.00 O ATOM 1434 CB CYS A 95 6.957 3.589 -7.610 1.00 0.00 C ATOM 1435 SG CYS A 95 8.183 2.311 -8.068 1.00 0.00 S ATOM 0 H CYS A 95 4.757 1.769 -8.273 1.00 0.00 H new ATOM 0 HA CYS A 95 6.126 2.772 -5.855 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.601 4.101 -8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.425 4.343 -6.976 1.00 0.00 H new ATOM 0 HG CYS A 95 9.177 2.868 -8.694 1.00 0.00 H new ATOM 1441 N LEU A 96 4.584 4.809 -5.921 1.00 0.00 N ATOM 1442 CA LEU A 96 3.487 5.752 -5.780 1.00 0.00 C ATOM 1443 C LEU A 96 3.328 6.542 -7.080 1.00 0.00 C ATOM 1444 O LEU A 96 4.294 6.729 -7.819 1.00 0.00 O ATOM 1445 CB LEU A 96 3.693 6.633 -4.546 1.00 0.00 C ATOM 1446 CG LEU A 96 3.344 5.995 -3.200 1.00 0.00 C ATOM 1447 CD1 LEU A 96 3.207 7.058 -2.109 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.089 5.126 -3.314 1.00 0.00 C ATOM 0 H LEU A 96 5.350 4.944 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 96 2.549 5.222 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.737 6.946 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.093 7.535 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 96 4.165 5.339 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.959 6.578 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.149 7.597 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.416 7.757 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.863 4.684 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.249 5.741 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.260 4.333 -4.042 1.00 0.00 H new ATOM 1460 N THR A 97 2.102 6.983 -7.321 1.00 0.00 N ATOM 1461 CA THR A 97 1.804 7.749 -8.520 1.00 0.00 C ATOM 1462 C THR A 97 1.025 9.016 -8.163 1.00 0.00 C ATOM 1463 O THR A 97 0.519 9.146 -7.050 1.00 0.00 O ATOM 1464 CB THR A 97 1.061 6.832 -9.493 1.00 0.00 C ATOM 1465 OG1 THR A 97 0.023 6.257 -8.705 1.00 0.00 O ATOM 1466 CG2 THR A 97 1.905 5.633 -9.930 1.00 0.00 C ATOM 0 H THR A 97 1.303 6.825 -6.707 1.00 0.00 H new ATOM 0 HA THR A 97 2.716 8.093 -9.007 1.00 0.00 H new ATOM 0 HB THR A 97 0.761 7.403 -10.371 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.510 5.649 -9.259 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.330 5.015 -10.620 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.809 5.986 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.178 5.042 -9.056 1.00 0.00 H new ATOM 1474 N LYS A 98 0.954 9.920 -9.130 1.00 0.00 N ATOM 1475 CA LYS A 98 0.245 11.173 -8.932 1.00 0.00 C ATOM 1476 C LYS A 98 -1.223 10.879 -8.614 1.00 0.00 C ATOM 1477 O LYS A 98 -1.930 11.733 -8.082 1.00 0.00 O ATOM 1478 CB LYS A 98 0.440 12.095 -10.137 1.00 0.00 C ATOM 1479 CG LYS A 98 1.803 12.787 -10.083 1.00 0.00 C ATOM 1480 CD LYS A 98 1.675 14.277 -10.403 1.00 0.00 C ATOM 1481 CE LYS A 98 3.042 14.964 -10.374 1.00 0.00 C ATOM 0 H LYS A 98 1.376 9.809 -10.052 1.00 0.00 H new ATOM 0 HA LYS A 98 0.655 11.712 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.357 11.518 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.352 12.844 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.240 12.661 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.482 12.316 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.221 14.404 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.010 14.752 -9.681 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.637 9.667 -8.952 1.00 0.00 N ATOM 1496 CA ALA A 99 -3.008 9.249 -8.709 1.00 0.00 C ATOM 1497 C ALA A 99 -3.132 8.734 -7.274 1.00 0.00 C ATOM 1498 O ALA A 99 -4.177 8.213 -6.887 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.412 8.197 -9.744 1.00 0.00 C ATOM 0 H ALA A 99 -1.047 8.961 -9.392 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.692 10.091 -8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.440 7.883 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.334 8.622 -10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.750 7.335 -9.664 1.00 0.00 H new ATOM 1505 N MET A 100 -2.052 8.897 -6.525 1.00 0.00 N ATOM 1506 CA MET A 100 -2.028 8.454 -5.141 1.00 0.00 C ATOM 1507 C MET A 100 -1.939 9.646 -4.186 1.00 0.00 C ATOM 1508 O MET A 100 -1.704 9.473 -2.991 1.00 0.00 O ATOM 1509 CB MET A 100 -0.826 7.533 -4.921 1.00 0.00 C ATOM 1510 CG MET A 100 -0.922 6.287 -5.803 1.00 0.00 C ATOM 1511 SD MET A 100 -2.388 5.357 -5.390 1.00 0.00 S ATOM 1512 CE MET A 100 -3.077 5.124 -7.020 1.00 0.00 C ATOM 0 H MET A 100 -1.187 9.329 -6.850 1.00 0.00 H new ATOM 0 HA MET A 100 -2.953 7.915 -4.935 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.095 8.071 -5.145 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.776 7.238 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.949 6.576 -6.854 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.037 5.666 -5.666 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.635 4.188 -7.049 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.745 5.952 -7.254 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.272 5.089 -7.754 1.00 0.00 H new ATOM 1522 N ASP A 101 -2.133 10.830 -4.748 1.00 0.00 N ATOM 1523 CA ASP A 101 -2.078 12.050 -3.961 1.00 0.00 C ATOM 1524 C ASP A 101 -3.102 11.967 -2.828 1.00 0.00 C ATOM 1525 O ASP A 101 -4.279 12.265 -3.026 1.00 0.00 O ATOM 1526 CB ASP A 101 -2.417 13.273 -4.817 1.00 0.00 C ATOM 1527 CG ASP A 101 -3.782 13.221 -5.507 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -4.585 14.160 -5.405 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -4.011 12.145 -6.181 1.00 0.00 O ATOM 0 H ASP A 101 -2.329 10.970 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.066 12.154 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.379 14.161 -4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.646 13.390 -5.578 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.617 11.562 -1.663 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.475 11.437 -0.498 1.00 0.00 C ATOM 1537 C ASN A 102 -4.223 10.104 -0.562 1.00 0.00 C ATOM 1538 O ASN A 102 -5.393 10.026 -0.190 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.513 12.560 -0.454 1.00 0.00 C ATOM 1540 CG ASN A 102 -4.797 12.988 0.987 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -3.971 13.581 1.661 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -6.010 12.656 1.420 1.00 0.00 N ATOM 0 H ASN A 102 -1.640 11.316 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.846 11.493 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -4.154 13.415 -1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.436 12.225 -0.926 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.297 12.898 2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.653 12.160 0.804 1.00 0.00 H new ATOM 1549 N MET A 103 -3.518 9.088 -1.038 1.00 0.00 N ATOM 1550 CA MET A 103 -4.101 7.762 -1.156 1.00 0.00 C ATOM 1551 C MET A 103 -4.298 7.125 0.221 1.00 0.00 C ATOM 1552 O MET A 103 -3.356 7.033 1.007 1.00 0.00 O ATOM 1553 CB MET A 103 -3.186 6.875 -2.003 1.00 0.00 C ATOM 1554 CG MET A 103 -2.097 6.231 -1.142 1.00 0.00 C ATOM 1555 SD MET A 103 -0.931 5.365 -2.179 1.00 0.00 S ATOM 1556 CE MET A 103 -1.944 3.992 -2.704 1.00 0.00 C ATOM 0 H MET A 103 -2.548 9.156 -1.347 1.00 0.00 H new ATOM 0 HA MET A 103 -5.076 7.856 -1.635 1.00 0.00 H new ATOM 0 HB2 MET A 103 -3.776 6.099 -2.491 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.726 7.469 -2.793 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.581 6.996 -0.561 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.547 5.539 -0.430 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.466 3.488 -3.544 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.062 3.290 -1.878 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.924 4.359 -3.011 1.00 0.00 H new ATOM 1566 N THR A 104 -5.529 6.703 0.472 1.00 0.00 N ATOM 1567 CA THR A 104 -5.861 6.077 1.740 1.00 0.00 C ATOM 1568 C THR A 104 -5.882 4.554 1.595 1.00 0.00 C ATOM 1569 O THR A 104 -6.322 4.030 0.573 1.00 0.00 O ATOM 1570 CB THR A 104 -7.192 6.659 2.220 1.00 0.00 C ATOM 1571 OG1 THR A 104 -6.846 7.946 2.726 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.752 5.918 3.436 1.00 0.00 C ATOM 0 H THR A 104 -6.308 6.783 -0.181 1.00 0.00 H new ATOM 0 HA THR A 104 -5.104 6.290 2.495 1.00 0.00 H new ATOM 0 HB THR A 104 -7.918 6.622 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.652 8.395 3.057 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.697 6.372 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.917 4.871 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.042 5.982 4.260 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.400 3.886 2.633 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.357 2.434 2.634 1.00 0.00 C ATOM 1582 C VAL A 105 -5.790 1.916 4.007 1.00 0.00 C ATOM 1583 O VAL A 105 -5.820 2.670 4.978 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.964 1.951 2.225 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.491 2.657 0.952 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.961 2.143 3.364 1.00 0.00 C ATOM 0 H VAL A 105 -5.036 4.324 3.479 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.055 2.031 1.900 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.028 0.884 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.498 2.296 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.186 2.447 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.451 3.732 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.979 1.792 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.902 3.200 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.286 1.574 4.235 1.00 0.00 H new ATOM 1596 N ARG A 106 -6.116 0.632 4.044 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.546 0.004 5.281 1.00 0.00 C ATOM 1598 C ARG A 106 -5.758 -1.284 5.525 1.00 0.00 C ATOM 1599 O ARG A 106 -5.335 -1.946 4.578 1.00 0.00 O ATOM 1600 CB ARG A 106 -8.041 -0.320 5.244 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.537 -0.779 6.617 1.00 0.00 C ATOM 1602 CD ARG A 106 -10.052 -0.990 6.610 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.745 0.309 6.758 1.00 0.00 N ATOM 1604 CZ ARG A 106 -11.108 1.096 5.723 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -10.847 0.721 4.453 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -11.723 2.238 5.972 1.00 0.00 N ATOM 0 H ARG A 106 -6.091 0.010 3.236 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.358 0.708 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.600 0.561 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.230 -1.100 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.038 -1.707 6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.273 -0.036 7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.356 -1.470 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.338 -1.659 7.422 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.962 0.630 7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.372 -0.163 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.125 1.321 3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.917 2.514 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.004 2.844 5.202 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.583 -1.601 6.800 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.853 -2.798 7.180 1.00 0.00 C ATOM 1621 C VAL A 107 -5.827 -3.816 7.778 1.00 0.00 C ATOM 1622 O VAL A 107 -6.176 -3.730 8.954 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.710 -2.435 8.130 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -3.020 -3.692 8.663 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.705 -1.504 7.448 1.00 0.00 C ATOM 0 H VAL A 107 -5.934 -1.049 7.583 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.396 -3.260 6.305 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.137 -1.902 8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.212 -3.406 9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.743 -4.302 9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.613 -4.265 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.903 -1.261 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.287 -1.999 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.209 -0.587 7.141 1.00 0.00 H new ATOM 1635 N PRO A 108 -6.249 -4.781 6.918 1.00 0.00 N ATOM 1636 CA PRO A 108 -7.175 -5.814 7.349 1.00 0.00 C ATOM 1637 C PRO A 108 -6.470 -6.853 8.223 1.00 0.00 C ATOM 1638 O PRO A 108 -5.707 -6.499 9.120 1.00 0.00 O ATOM 1639 CB PRO A 108 -7.735 -6.402 6.063 1.00 0.00 C ATOM 1640 CG PRO A 108 -6.764 -6.001 4.964 1.00 0.00 C ATOM 1641 CD PRO A 108 -5.856 -4.915 5.518 1.00 0.00 C ATOM 0 HA PRO A 108 -7.977 -5.424 7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -7.819 -7.486 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.735 -6.017 5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.177 -6.861 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.305 -5.637 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.806 -5.192 5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.986 -3.977 4.979 1.00 0.00 H new TER 1649 PRO A 108 HETATM 1650 FE1 FES A 146 6.205 -10.106 1.940 1.00 0.00 FE HETATM 1651 FE2 FES A 146 4.544 -8.345 0.266 1.00 0.00 FE HETATM 1652 S1 FES A 146 4.830 -10.481 -0.038 1.00 0.00 S HETATM 1653 S2 FES A 146 6.063 -7.749 1.695 1.00 0.00 S