USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 753 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 161:sc= -0.21 USER MOD Set 1.2: A 95 ASN : amide:sc= 0.131 K(o=-0.078,f=-4.7!) USER MOD Set 2.1: A 1 MET CE :methyl 149:sc= -0.0402 (180deg=-0.378) USER MOD Set 2.2: A 84 MET CE :methyl 143:sc= -0.126 (180deg=-0.714) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.33 (180deg=1.09) USER MOD Single : A 2 THR OG1 : rot -58:sc= 0.526 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -40:sc= 0.2 USER MOD Single : A 21 CYS SG : rot 92:sc= -5.69! USER MOD Single : A 24 CYS SG : rot -127:sc= 0.344 USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 1.29 (180deg=0.19) USER MOD Single : A 29 SER OG : rot 180:sc= -0.147 USER MOD Single : A 33 HIS : no HE2:sc= -1.37! C(o=-1.4!,f=-6.9!) USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.436 K(o=0.44,f=-6!) USER MOD Single : A 45 CYS SG : rot -160:sc= -0.471 USER MOD Single : A 46 CYS SG : rot -132:sc= 0.742 USER MOD Single : A 49 SER OG : rot 180:sc= -0.425 USER MOD Single : A 51 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 55 THR OG1 : rot 140:sc= -1.24 USER MOD Single : A 59 HIS : no HD1:sc=-0.00811 X(o=-0.0081,f=0) USER MOD Single : A 61 THR OG1 : rot -173:sc= 0.465 USER MOD Single : A 79 TYR OH : rot -140:sc= -1 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -138:sc= -0.219 (180deg=-0.965) USER MOD Single : A 92 THR OG1 : rot -79:sc= 0.989 USER MOD Single : A 94 HIS :FLIP no HD1:sc= -0.121 F(o=-0.99,f=-0.12) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.905 1.769 -0.889 1.00 0.00 N ATOM 2 CA MET A 1 1.961 0.743 -1.042 1.00 0.00 C ATOM 3 C MET A 1 1.336 -0.565 -1.537 1.00 0.00 C ATOM 4 O MET A 1 0.142 -0.604 -1.831 1.00 0.00 O ATOM 5 CB MET A 1 2.684 0.542 0.296 1.00 0.00 C ATOM 6 CG MET A 1 4.043 -0.129 0.172 1.00 0.00 C ATOM 7 SD MET A 1 5.180 0.778 -0.897 1.00 0.00 S ATOM 8 CE MET A 1 5.354 2.314 0.010 1.00 0.00 C ATOM 0 H1 MET A 1 1.317 2.714 -1.024 1.00 0.00 H new ATOM 0 H2 MET A 1 0.162 1.611 -1.599 1.00 0.00 H new ATOM 0 H3 MET A 1 0.493 1.704 0.064 1.00 0.00 H new ATOM 0 HA MET A 1 2.694 1.072 -1.778 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.812 1.512 0.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.053 -0.058 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.485 -0.228 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.910 -1.137 -0.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.349 2.726 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.603 3.026 -0.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.216 2.125 1.075 1.00 0.00 H new ATOM 20 N THR A 2 2.135 -1.628 -1.630 1.00 0.00 N ATOM 21 CA THR A 2 1.677 -2.900 -2.186 1.00 0.00 C ATOM 22 C THR A 2 0.793 -3.686 -1.204 1.00 0.00 C ATOM 23 O THR A 2 1.186 -4.737 -0.698 1.00 0.00 O ATOM 24 CB THR A 2 2.879 -3.768 -2.648 1.00 0.00 C ATOM 25 OG1 THR A 2 2.441 -5.083 -3.016 1.00 0.00 O ATOM 26 CG2 THR A 2 3.947 -3.867 -1.562 1.00 0.00 C ATOM 0 H THR A 2 3.108 -1.632 -1.325 1.00 0.00 H new ATOM 0 HA THR A 2 1.062 -2.660 -3.053 1.00 0.00 H new ATOM 0 HB THR A 2 3.318 -3.279 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.987 -5.501 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.773 -4.482 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.314 -2.869 -1.321 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.517 -4.321 -0.669 1.00 0.00 H new ATOM 34 N MET A 3 -0.400 -3.150 -0.946 1.00 0.00 N ATOM 35 CA MET A 3 -1.424 -3.809 -0.123 1.00 0.00 C ATOM 36 C MET A 3 -0.909 -4.205 1.263 1.00 0.00 C ATOM 37 O MET A 3 -0.969 -3.413 2.203 1.00 0.00 O ATOM 38 CB MET A 3 -1.999 -5.033 -0.845 1.00 0.00 C ATOM 39 CG MET A 3 -2.716 -4.691 -2.141 1.00 0.00 C ATOM 40 SD MET A 3 -4.078 -3.534 -1.892 1.00 0.00 S ATOM 41 CE MET A 3 -4.648 -3.316 -3.576 1.00 0.00 C ATOM 0 H MET A 3 -0.689 -2.239 -1.303 1.00 0.00 H new ATOM 0 HA MET A 3 -2.216 -3.076 0.028 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.190 -5.731 -1.060 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.694 -5.545 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.003 -4.262 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.099 -5.606 -2.593 1.00 0.00 H new ATOM 0 HE1 MET A 3 -5.491 -2.625 -3.588 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.839 -2.912 -4.185 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.962 -4.278 -3.981 1.00 0.00 H new ATOM 51 N GLY A 4 -0.400 -5.426 1.383 1.00 0.00 N ATOM 52 CA GLY A 4 0.064 -5.922 2.661 1.00 0.00 C ATOM 53 C GLY A 4 0.160 -7.433 2.676 1.00 0.00 C ATOM 54 O GLY A 4 0.648 -8.037 1.723 1.00 0.00 O ATOM 0 H GLY A 4 -0.301 -6.084 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.041 -5.493 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.616 -5.593 3.447 1.00 0.00 H new ATOM 58 N CYS A 5 -0.309 -8.047 3.752 1.00 0.00 N ATOM 59 CA CYS A 5 -0.289 -9.499 3.874 1.00 0.00 C ATOM 60 C CYS A 5 -1.346 -9.945 4.882 1.00 0.00 C ATOM 61 O CYS A 5 -2.001 -9.106 5.499 1.00 0.00 O ATOM 62 CB CYS A 5 1.097 -9.982 4.303 1.00 0.00 C ATOM 63 SG CYS A 5 1.595 -9.441 5.968 1.00 0.00 S ATOM 0 H CYS A 5 -0.709 -7.562 4.555 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.516 -9.939 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.117 -11.071 4.266 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.833 -9.625 3.582 1.00 0.00 H new ATOM 68 N ARG A 6 -1.507 -11.253 5.063 1.00 0.00 N ATOM 69 CA ARG A 6 -2.529 -11.780 5.970 1.00 0.00 C ATOM 70 C ARG A 6 -2.253 -11.392 7.421 1.00 0.00 C ATOM 71 O ARG A 6 -3.169 -11.329 8.237 1.00 0.00 O ATOM 72 CB ARG A 6 -2.636 -13.303 5.853 1.00 0.00 C ATOM 73 CG ARG A 6 -1.401 -14.059 6.322 1.00 0.00 C ATOM 74 CD ARG A 6 -1.610 -15.558 6.218 1.00 0.00 C ATOM 75 NE ARG A 6 -0.450 -16.320 6.677 1.00 0.00 N ATOM 76 CZ ARG A 6 -0.334 -17.639 6.539 1.00 0.00 C ATOM 77 NH1 ARG A 6 -1.319 -18.336 5.985 1.00 0.00 N ATOM 78 NH2 ARG A 6 0.757 -18.260 6.969 1.00 0.00 N ATOM 0 H ARG A 6 -0.947 -11.967 4.597 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.478 -11.333 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.495 -13.640 6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.832 -13.562 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.540 -13.766 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.176 -13.790 7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.482 -15.841 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.826 -15.820 5.182 1.00 0.00 H new ATOM 0 HE ARG A 6 0.312 -15.813 7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.163 -17.861 5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.231 -19.347 5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.509 -17.727 7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.844 -19.271 6.862 1.00 0.00 H new ATOM 92 N HIS A 7 -0.990 -11.124 7.736 1.00 0.00 N ATOM 93 CA HIS A 7 -0.603 -10.750 9.096 1.00 0.00 C ATOM 94 C HIS A 7 -1.249 -9.431 9.514 1.00 0.00 C ATOM 95 O HIS A 7 -1.439 -9.178 10.702 1.00 0.00 O ATOM 96 CB HIS A 7 0.918 -10.652 9.232 1.00 0.00 C ATOM 97 CG HIS A 7 1.631 -11.956 9.049 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.616 -12.103 8.110 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.475 -13.127 9.712 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.041 -13.348 8.215 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.377 -14.010 9.175 1.00 0.00 N ATOM 0 H HIS A 7 -0.217 -11.158 7.071 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.962 -11.537 9.760 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.293 -9.939 8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.159 -10.253 10.217 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.775 -13.327 10.510 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.823 -13.779 7.607 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.516 -14.982 9.452 1.00 0.00 H new ATOM 109 N VAL A 8 -1.584 -8.590 8.537 1.00 0.00 N ATOM 110 CA VAL A 8 -2.234 -7.311 8.821 1.00 0.00 C ATOM 111 C VAL A 8 -3.596 -7.549 9.449 1.00 0.00 C ATOM 112 O VAL A 8 -4.071 -6.756 10.259 1.00 0.00 O ATOM 113 CB VAL A 8 -2.422 -6.457 7.553 1.00 0.00 C ATOM 114 CG1 VAL A 8 -2.838 -5.037 7.903 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.162 -6.455 6.724 1.00 0.00 C ATOM 0 H VAL A 8 -1.417 -8.769 7.547 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.582 -6.770 9.506 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.223 -6.903 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.963 -4.458 6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.780 -5.058 8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.069 -4.575 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.314 -5.847 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.341 -6.041 7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.919 -7.476 6.429 1.00 0.00 H new ATOM 125 N ALA A 9 -4.217 -8.658 9.083 1.00 0.00 N ATOM 126 CA ALA A 9 -5.518 -8.994 9.614 1.00 0.00 C ATOM 127 C ALA A 9 -5.397 -9.513 11.047 1.00 0.00 C ATOM 128 O ALA A 9 -6.375 -9.545 11.797 1.00 0.00 O ATOM 129 CB ALA A 9 -6.211 -10.017 8.727 1.00 0.00 C ATOM 0 H ALA A 9 -3.839 -9.336 8.422 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.126 -8.089 9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.189 -10.257 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.335 -9.606 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.607 -10.923 8.675 1.00 0.00 H new ATOM 135 N GLY A 10 -4.184 -9.908 11.422 1.00 0.00 N ATOM 136 CA GLY A 10 -3.940 -10.406 12.761 1.00 0.00 C ATOM 137 C GLY A 10 -3.538 -9.302 13.719 1.00 0.00 C ATOM 138 O GLY A 10 -3.668 -9.446 14.936 1.00 0.00 O ATOM 0 H GLY A 10 -3.363 -9.891 10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.839 -10.898 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.154 -11.160 12.728 1.00 0.00 H new ATOM 142 N ILE A 11 -3.046 -8.196 13.173 1.00 0.00 N ATOM 143 CA ILE A 11 -2.667 -7.047 13.986 1.00 0.00 C ATOM 144 C ILE A 11 -3.841 -6.087 14.132 1.00 0.00 C ATOM 145 O ILE A 11 -4.731 -6.041 13.280 1.00 0.00 O ATOM 146 CB ILE A 11 -1.456 -6.278 13.409 1.00 0.00 C ATOM 147 CG1 ILE A 11 -1.774 -5.740 12.010 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.226 -7.173 13.380 1.00 0.00 C ATOM 149 CD1 ILE A 11 -0.702 -4.835 11.441 1.00 0.00 C ATOM 0 H ILE A 11 -2.900 -8.071 12.171 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.379 -7.443 14.960 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.245 -5.427 14.057 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.922 -6.581 11.333 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.715 -5.192 12.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.618 -6.618 12.971 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.010 -7.500 14.393 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.424 -8.044 12.755 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.001 -4.496 10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.569 -3.973 12.095 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.237 -5.384 11.369 1.00 0.00 H new ATOM 161 N ARG A 12 -3.845 -5.333 15.217 1.00 0.00 N ATOM 162 CA ARG A 12 -4.923 -4.393 15.489 1.00 0.00 C ATOM 163 C ARG A 12 -4.359 -3.032 15.873 1.00 0.00 C ATOM 164 O ARG A 12 -3.144 -2.878 16.019 1.00 0.00 O ATOM 165 CB ARG A 12 -5.862 -4.943 16.576 1.00 0.00 C ATOM 166 CG ARG A 12 -5.162 -5.653 17.731 1.00 0.00 C ATOM 167 CD ARG A 12 -4.444 -4.692 18.661 1.00 0.00 C ATOM 168 NE ARG A 12 -5.361 -3.763 19.318 1.00 0.00 N ATOM 169 CZ ARG A 12 -5.303 -3.447 20.610 1.00 0.00 C ATOM 170 NH1 ARG A 12 -4.392 -4.006 21.397 1.00 0.00 N ATOM 171 NH2 ARG A 12 -6.158 -2.572 21.119 1.00 0.00 N ATOM 0 H ARG A 12 -3.113 -5.352 15.927 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.512 -4.264 14.581 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.450 -4.118 16.979 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.563 -5.638 16.113 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.896 -6.223 18.300 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.444 -6.369 17.330 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.902 -5.259 19.418 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.703 -4.128 18.095 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.091 -3.330 18.752 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.731 -4.682 21.013 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.352 -3.760 22.386 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.862 -2.140 20.521 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.112 -2.331 22.109 1.00 0.00 H new ATOM 185 N THR A 13 -5.229 -2.041 15.988 1.00 0.00 N ATOM 186 CA THR A 13 -4.810 -0.700 16.361 1.00 0.00 C ATOM 187 C THR A 13 -4.456 -0.628 17.842 1.00 0.00 C ATOM 188 O THR A 13 -5.322 -0.491 18.708 1.00 0.00 O ATOM 189 CB THR A 13 -5.891 0.337 16.008 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.225 0.206 14.620 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.405 1.754 16.283 1.00 0.00 C ATOM 0 H THR A 13 -6.231 -2.141 15.828 1.00 0.00 H new ATOM 0 HA THR A 13 -3.914 -0.462 15.787 1.00 0.00 H new ATOM 0 HB THR A 13 -6.768 0.153 16.629 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.915 0.862 14.386 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.190 2.465 16.024 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.158 1.855 17.340 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.519 1.958 15.682 1.00 0.00 H new ATOM 199 N VAL A 14 -3.167 -0.748 18.115 1.00 0.00 N ATOM 200 CA VAL A 14 -2.660 -0.753 19.476 1.00 0.00 C ATOM 201 C VAL A 14 -2.446 0.664 19.989 1.00 0.00 C ATOM 202 O VAL A 14 -2.361 1.614 19.208 1.00 0.00 O ATOM 203 CB VAL A 14 -1.330 -1.530 19.566 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.552 -3.006 19.295 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.307 -0.963 18.592 1.00 0.00 C ATOM 0 H VAL A 14 -2.445 -0.844 17.401 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.408 -1.246 20.096 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.942 -1.418 20.578 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.602 -3.535 19.363 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.247 -3.411 20.031 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.967 -3.134 18.295 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.623 -1.526 18.672 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.691 -1.040 17.575 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.119 0.084 18.830 1.00 0.00 H new ATOM 215 N THR A 15 -2.367 0.799 21.301 1.00 0.00 N ATOM 216 CA THR A 15 -2.090 2.079 21.920 1.00 0.00 C ATOM 217 C THR A 15 -0.602 2.198 22.224 1.00 0.00 C ATOM 218 O THR A 15 -0.016 1.291 22.816 1.00 0.00 O ATOM 219 CB THR A 15 -2.895 2.247 23.223 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.294 2.078 22.957 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.656 3.615 23.846 1.00 0.00 C ATOM 0 H THR A 15 -2.492 0.031 21.960 1.00 0.00 H new ATOM 0 HA THR A 15 -2.386 2.864 21.224 1.00 0.00 H new ATOM 0 HB THR A 15 -2.560 1.486 23.927 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.800 2.184 23.789 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.237 3.703 24.764 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.597 3.730 24.075 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.963 4.392 23.146 1.00 0.00 H new ATOM 229 N PRO A 16 0.034 3.298 21.792 1.00 0.00 N ATOM 230 CA PRO A 16 1.451 3.553 22.066 1.00 0.00 C ATOM 231 C PRO A 16 1.760 3.519 23.559 1.00 0.00 C ATOM 232 O PRO A 16 1.376 4.418 24.310 1.00 0.00 O ATOM 233 CB PRO A 16 1.685 4.955 21.498 1.00 0.00 C ATOM 234 CG PRO A 16 0.618 5.131 20.474 1.00 0.00 C ATOM 235 CD PRO A 16 -0.572 4.375 20.988 1.00 0.00 C ATOM 0 HA PRO A 16 2.096 2.794 21.622 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.616 5.714 22.277 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.677 5.042 21.055 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.381 6.186 20.334 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.938 4.745 19.506 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.223 5.009 21.590 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.179 3.977 20.174 1.00 0.00 H new ATOM 243 N SER A 17 2.442 2.464 23.986 1.00 0.00 N ATOM 244 CA SER A 17 2.796 2.289 25.387 1.00 0.00 C ATOM 245 C SER A 17 4.074 3.066 25.717 1.00 0.00 C ATOM 246 O SER A 17 4.667 2.897 26.783 1.00 0.00 O ATOM 247 CB SER A 17 2.971 0.796 25.686 1.00 0.00 C ATOM 248 OG SER A 17 2.996 0.536 27.080 1.00 0.00 O ATOM 0 H SER A 17 2.763 1.712 23.376 1.00 0.00 H new ATOM 0 HA SER A 17 1.995 2.682 26.013 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.157 0.236 25.227 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.897 0.441 25.234 1.00 0.00 H new ATOM 0 HG SER A 17 3.514 1.233 27.534 1.00 0.00 H new ATOM 254 N ALA A 18 4.481 3.926 24.790 1.00 0.00 N ATOM 255 CA ALA A 18 5.652 4.770 24.960 1.00 0.00 C ATOM 256 C ALA A 18 5.610 5.903 23.945 1.00 0.00 C ATOM 257 O ALA A 18 5.049 5.743 22.861 1.00 0.00 O ATOM 258 CB ALA A 18 6.931 3.956 24.802 1.00 0.00 C ATOM 0 H ALA A 18 4.005 4.056 23.897 1.00 0.00 H new ATOM 0 HA ALA A 18 5.645 5.190 25.966 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.795 4.607 24.933 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.955 3.166 25.553 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.959 3.512 23.807 1.00 0.00 H new ATOM 264 N LEU A 19 6.180 7.043 24.302 1.00 0.00 N ATOM 265 CA LEU A 19 6.223 8.191 23.401 1.00 0.00 C ATOM 266 C LEU A 19 7.357 8.023 22.401 1.00 0.00 C ATOM 267 O LEU A 19 7.179 8.203 21.201 1.00 0.00 O ATOM 268 CB LEU A 19 6.397 9.496 24.187 1.00 0.00 C ATOM 269 CG LEU A 19 5.112 10.106 24.766 1.00 0.00 C ATOM 270 CD1 LEU A 19 4.399 9.133 25.692 1.00 0.00 C ATOM 271 CD2 LEU A 19 5.431 11.396 25.505 1.00 0.00 C ATOM 0 H LEU A 19 6.620 7.201 25.208 1.00 0.00 H new ATOM 0 HA LEU A 19 5.277 8.243 22.862 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.091 9.314 25.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.863 10.233 23.532 1.00 0.00 H new ATOM 0 HG LEU A 19 4.443 10.325 23.934 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.494 9.599 26.083 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.133 8.232 25.139 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.058 8.869 26.519 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.512 11.819 25.911 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.125 11.187 26.319 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.885 12.108 24.815 1.00 0.00 H new ATOM 283 N GLY A 20 8.522 7.678 22.912 1.00 0.00 N ATOM 284 CA GLY A 20 9.651 7.377 22.065 1.00 0.00 C ATOM 285 C GLY A 20 10.202 6.004 22.369 1.00 0.00 C ATOM 286 O GLY A 20 9.452 5.099 22.735 1.00 0.00 O ATOM 0 H GLY A 20 8.708 7.600 23.912 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.350 7.429 21.019 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.430 8.126 22.210 1.00 0.00 H new ATOM 290 N CYS A 21 11.505 5.836 22.229 1.00 0.00 N ATOM 291 CA CYS A 21 12.137 4.579 22.581 1.00 0.00 C ATOM 292 C CYS A 21 12.248 4.457 24.091 1.00 0.00 C ATOM 293 O CYS A 21 13.095 5.102 24.704 1.00 0.00 O ATOM 294 CB CYS A 21 13.524 4.471 21.953 1.00 0.00 C ATOM 295 SG CYS A 21 13.518 4.468 20.150 1.00 0.00 S ATOM 0 H CYS A 21 12.142 6.550 21.876 1.00 0.00 H new ATOM 0 HA CYS A 21 11.518 3.768 22.196 1.00 0.00 H new ATOM 0 HB2 CYS A 21 14.135 5.303 22.302 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.000 3.556 22.306 1.00 0.00 H new ATOM 0 HG CYS A 21 13.656 5.685 19.714 1.00 0.00 H new ATOM 301 N GLU A 22 11.380 3.639 24.679 1.00 0.00 N ATOM 302 CA GLU A 22 11.392 3.394 26.120 1.00 0.00 C ATOM 303 C GLU A 22 12.795 3.008 26.582 1.00 0.00 C ATOM 304 O GLU A 22 13.248 3.412 27.654 1.00 0.00 O ATOM 305 CB GLU A 22 10.407 2.276 26.460 1.00 0.00 C ATOM 306 CG GLU A 22 10.265 2.007 27.947 1.00 0.00 C ATOM 307 CD GLU A 22 9.520 0.723 28.226 1.00 0.00 C ATOM 308 OE1 GLU A 22 8.272 0.726 28.172 1.00 0.00 O ATOM 309 OE2 GLU A 22 10.179 -0.304 28.476 1.00 0.00 O ATOM 0 H GLU A 22 10.653 3.130 24.176 1.00 0.00 H new ATOM 0 HA GLU A 22 11.094 4.307 26.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.429 2.532 26.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.729 1.360 25.965 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.254 1.957 28.402 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.740 2.839 28.417 1.00 0.00 H new ATOM 316 N GLU A 23 13.471 2.232 25.743 1.00 0.00 N ATOM 317 CA GLU A 23 14.835 1.799 25.999 1.00 0.00 C ATOM 318 C GLU A 23 15.773 3.004 26.119 1.00 0.00 C ATOM 319 O GLU A 23 16.402 3.213 27.146 1.00 0.00 O ATOM 320 CB GLU A 23 15.294 0.883 24.867 1.00 0.00 C ATOM 321 CG GLU A 23 16.174 -0.259 25.327 1.00 0.00 C ATOM 322 CD GLU A 23 15.464 -1.202 26.275 1.00 0.00 C ATOM 323 OE1 GLU A 23 14.339 -1.631 25.955 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.041 -1.540 27.328 1.00 0.00 O ATOM 0 H GLU A 23 13.086 1.886 24.864 1.00 0.00 H new ATOM 0 HA GLU A 23 14.863 1.254 26.943 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.417 0.475 24.364 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.837 1.475 24.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.520 -0.818 24.458 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.059 0.145 25.819 1.00 0.00 H new ATOM 331 N CYS A 24 15.866 3.787 25.057 1.00 0.00 N ATOM 332 CA CYS A 24 16.635 5.031 25.076 1.00 0.00 C ATOM 333 C CYS A 24 16.226 5.935 26.246 1.00 0.00 C ATOM 334 O CYS A 24 17.075 6.543 26.897 1.00 0.00 O ATOM 335 CB CYS A 24 16.442 5.785 23.761 1.00 0.00 C ATOM 336 SG CYS A 24 17.016 4.892 22.301 1.00 0.00 S ATOM 0 H CYS A 24 15.417 3.586 24.163 1.00 0.00 H new ATOM 0 HA CYS A 24 17.685 4.766 25.203 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.383 6.014 23.639 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.969 6.737 23.821 1.00 0.00 H new ATOM 0 HG CYS A 24 17.825 5.648 21.620 1.00 0.00 H new ATOM 342 N LEU A 25 14.929 6.003 26.520 1.00 0.00 N ATOM 343 CA LEU A 25 14.403 6.896 27.549 1.00 0.00 C ATOM 344 C LEU A 25 14.738 6.419 28.961 1.00 0.00 C ATOM 345 O LEU A 25 14.620 7.184 29.918 1.00 0.00 O ATOM 346 CB LEU A 25 12.887 7.051 27.399 1.00 0.00 C ATOM 347 CG LEU A 25 12.430 7.789 26.138 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.912 7.805 26.049 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.980 9.209 26.125 1.00 0.00 C ATOM 0 H LEU A 25 14.218 5.449 26.043 1.00 0.00 H new ATOM 0 HA LEU A 25 14.886 7.863 27.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.434 6.060 27.405 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.504 7.582 28.271 1.00 0.00 H new ATOM 0 HG LEU A 25 12.819 7.259 25.268 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.606 8.334 25.146 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.539 6.781 26.014 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.502 8.311 26.923 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.646 9.720 25.222 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.619 9.747 27.001 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.069 9.177 26.142 1.00 0.00 H new ATOM 361 N LYS A 26 15.144 5.165 29.105 1.00 0.00 N ATOM 362 CA LYS A 26 15.490 4.639 30.422 1.00 0.00 C ATOM 363 C LYS A 26 16.929 5.007 30.777 1.00 0.00 C ATOM 364 O LYS A 26 17.315 4.982 31.942 1.00 0.00 O ATOM 365 CB LYS A 26 15.299 3.114 30.473 1.00 0.00 C ATOM 366 CG LYS A 26 16.447 2.331 29.859 1.00 0.00 C ATOM 367 CD LYS A 26 16.000 0.980 29.327 1.00 0.00 C ATOM 368 CE LYS A 26 15.657 0.005 30.434 1.00 0.00 C ATOM 369 NZ LYS A 26 15.208 -1.298 29.882 1.00 0.00 N ATOM 0 H LYS A 26 15.242 4.499 28.339 1.00 0.00 H new ATOM 0 HA LYS A 26 14.821 5.089 31.155 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.177 2.807 31.512 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.376 2.855 29.954 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.888 2.911 29.048 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.226 2.185 30.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.130 1.116 28.685 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.791 0.557 28.707 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.529 -0.148 31.071 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.873 0.426 31.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.222 -1.472 30.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.275 -1.277 28.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.813 -2.059 30.252 1.00 0.00 H new ATOM 383 N ILE A 27 17.717 5.358 29.762 1.00 0.00 N ATOM 384 CA ILE A 27 19.127 5.684 29.962 1.00 0.00 C ATOM 385 C ILE A 27 19.439 7.125 29.555 1.00 0.00 C ATOM 386 O ILE A 27 20.554 7.606 29.755 1.00 0.00 O ATOM 387 CB ILE A 27 20.045 4.713 29.181 1.00 0.00 C ATOM 388 CG1 ILE A 27 19.677 4.700 27.693 1.00 0.00 C ATOM 389 CG2 ILE A 27 19.958 3.313 29.771 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.478 3.709 26.871 1.00 0.00 C ATOM 0 H ILE A 27 17.403 5.424 28.794 1.00 0.00 H new ATOM 0 HA ILE A 27 19.324 5.576 31.029 1.00 0.00 H new ATOM 0 HB ILE A 27 21.074 5.061 29.272 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.617 4.467 27.593 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.824 5.699 27.284 1.00 0.00 H new ATOM 0 HG21 ILE A 27 20.609 2.641 29.211 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.273 3.338 30.814 1.00 0.00 H new ATOM 0 HG23 ILE A 27 18.930 2.956 29.710 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.160 3.759 25.830 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.538 3.953 26.939 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.312 2.702 27.253 1.00 0.00 H new ATOM 402 N GLY A 28 18.450 7.810 28.993 1.00 0.00 N ATOM 403 CA GLY A 28 18.641 9.190 28.584 1.00 0.00 C ATOM 404 C GLY A 28 19.442 9.305 27.301 1.00 0.00 C ATOM 405 O GLY A 28 20.319 10.163 27.178 1.00 0.00 O ATOM 0 H GLY A 28 17.519 7.435 28.813 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.669 9.664 28.446 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.151 9.735 29.378 1.00 0.00 H new ATOM 409 N SER A 29 19.138 8.439 26.347 1.00 0.00 N ATOM 410 CA SER A 29 19.850 8.407 25.078 1.00 0.00 C ATOM 411 C SER A 29 18.904 8.692 23.912 1.00 0.00 C ATOM 412 O SER A 29 17.694 8.504 24.030 1.00 0.00 O ATOM 413 CB SER A 29 20.519 7.042 24.900 1.00 0.00 C ATOM 414 OG SER A 29 21.501 6.824 25.900 1.00 0.00 O ATOM 0 H SER A 29 18.397 7.743 26.429 1.00 0.00 H new ATOM 0 HA SER A 29 20.614 9.185 25.086 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.766 6.255 24.947 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.980 6.984 23.914 1.00 0.00 H new ATOM 0 HG SER A 29 21.914 5.945 25.767 1.00 0.00 H new ATOM 420 N PRO A 30 19.444 9.171 22.779 1.00 0.00 N ATOM 421 CA PRO A 30 18.650 9.456 21.584 1.00 0.00 C ATOM 422 C PRO A 30 18.362 8.206 20.751 1.00 0.00 C ATOM 423 O PRO A 30 18.791 7.099 21.092 1.00 0.00 O ATOM 424 CB PRO A 30 19.541 10.421 20.806 1.00 0.00 C ATOM 425 CG PRO A 30 20.932 10.034 21.173 1.00 0.00 C ATOM 426 CD PRO A 30 20.871 9.499 22.581 1.00 0.00 C ATOM 0 HA PRO A 30 17.666 9.854 21.833 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.376 10.333 19.732 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.334 11.456 21.077 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.318 9.279 20.488 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.602 10.892 21.113 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.503 8.619 22.701 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.214 10.239 23.304 1.00 0.00 H new ATOM 434 N TRP A 31 17.637 8.393 19.655 1.00 0.00 N ATOM 435 CA TRP A 31 17.304 7.301 18.753 1.00 0.00 C ATOM 436 C TRP A 31 17.235 7.803 17.319 1.00 0.00 C ATOM 437 O TRP A 31 17.179 9.010 17.083 1.00 0.00 O ATOM 438 CB TRP A 31 15.968 6.656 19.147 1.00 0.00 C ATOM 439 CG TRP A 31 14.809 7.615 19.193 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.093 8.101 18.133 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.219 8.187 20.367 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.107 8.947 18.577 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.162 9.016 19.944 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.485 8.083 21.734 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.372 9.732 20.839 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.700 8.794 22.622 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.654 9.610 22.171 1.00 0.00 C ATOM 0 H TRP A 31 17.266 9.299 19.369 1.00 0.00 H new ATOM 0 HA TRP A 31 18.088 6.547 18.829 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.739 5.860 18.438 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.078 6.189 20.126 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.277 7.855 17.098 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.441 9.444 17.985 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.290 7.458 22.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.565 10.361 20.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.896 8.719 23.681 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.059 10.153 22.890 1.00 0.00 H new ATOM 458 N VAL A 32 17.247 6.880 16.367 1.00 0.00 N ATOM 459 CA VAL A 32 17.098 7.241 14.966 1.00 0.00 C ATOM 460 C VAL A 32 15.624 7.224 14.569 1.00 0.00 C ATOM 461 O VAL A 32 15.039 8.266 14.283 1.00 0.00 O ATOM 462 CB VAL A 32 17.894 6.298 14.036 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.773 6.741 12.586 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.356 6.242 14.450 1.00 0.00 C ATOM 0 H VAL A 32 17.358 5.881 16.539 1.00 0.00 H new ATOM 0 HA VAL A 32 17.501 8.247 14.849 1.00 0.00 H new ATOM 0 HB VAL A 32 17.470 5.298 14.128 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.341 6.063 11.950 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.725 6.726 12.287 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.166 7.752 12.480 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.898 5.572 13.782 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.789 7.241 14.392 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.431 5.873 15.473 1.00 0.00 H new ATOM 474 N HIS A 33 15.020 6.042 14.567 1.00 0.00 N ATOM 475 CA HIS A 33 13.615 5.912 14.197 1.00 0.00 C ATOM 476 C HIS A 33 12.854 5.066 15.213 1.00 0.00 C ATOM 477 O HIS A 33 13.431 4.206 15.887 1.00 0.00 O ATOM 478 CB HIS A 33 13.463 5.314 12.791 1.00 0.00 C ATOM 479 CG HIS A 33 13.860 6.249 11.686 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.172 7.406 11.391 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.886 6.194 10.805 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.755 8.019 10.381 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.799 7.307 10.006 1.00 0.00 N ATOM 0 H HIS A 33 15.477 5.165 14.816 1.00 0.00 H new ATOM 0 HA HIS A 33 13.187 6.914 14.192 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.069 4.410 12.724 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.425 5.014 12.645 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.340 7.737 11.879 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.635 5.418 10.742 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.432 8.948 9.935 1.00 0.00 H new ATOM 492 N LEU A 34 11.555 5.312 15.300 1.00 0.00 N ATOM 493 CA LEU A 34 10.688 4.640 16.255 1.00 0.00 C ATOM 494 C LEU A 34 9.899 3.542 15.573 1.00 0.00 C ATOM 495 O LEU A 34 9.289 3.762 14.526 1.00 0.00 O ATOM 496 CB LEU A 34 9.705 5.629 16.879 1.00 0.00 C ATOM 497 CG LEU A 34 10.327 6.740 17.714 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.248 7.678 18.217 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.095 6.154 18.878 1.00 0.00 C ATOM 0 H LEU A 34 11.071 5.986 14.707 1.00 0.00 H new ATOM 0 HA LEU A 34 11.321 4.212 17.033 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.120 6.084 16.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.009 5.074 17.507 1.00 0.00 H new ATOM 0 HG LEU A 34 11.020 7.303 17.089 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.703 8.469 18.813 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.724 8.118 17.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.540 7.122 18.832 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.534 6.959 19.466 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.418 5.574 19.505 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.887 5.506 18.502 1.00 0.00 H new ATOM 511 N ARG A 35 9.903 2.364 16.166 1.00 0.00 N ATOM 512 CA ARG A 35 9.137 1.256 15.633 1.00 0.00 C ATOM 513 C ARG A 35 8.138 0.780 16.678 1.00 0.00 C ATOM 514 O ARG A 35 8.519 0.203 17.698 1.00 0.00 O ATOM 515 CB ARG A 35 10.061 0.106 15.220 1.00 0.00 C ATOM 516 CG ARG A 35 11.283 0.553 14.428 1.00 0.00 C ATOM 517 CD ARG A 35 10.914 1.266 13.133 1.00 0.00 C ATOM 518 NE ARG A 35 10.361 0.354 12.134 1.00 0.00 N ATOM 519 CZ ARG A 35 10.786 0.288 10.870 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.761 1.083 10.443 1.00 0.00 N ATOM 521 NH2 ARG A 35 10.235 -0.576 10.027 1.00 0.00 N ATOM 0 H ARG A 35 10.427 2.150 17.015 1.00 0.00 H new ATOM 0 HA ARG A 35 8.600 1.593 14.746 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.392 -0.421 16.115 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.493 -0.607 14.622 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.888 1.218 15.045 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.899 -0.316 14.197 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.188 2.050 13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.799 1.754 12.725 1.00 0.00 H new ATOM 0 HE ARG A 35 9.606 -0.269 12.419 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.191 1.751 11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.079 1.025 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.486 -1.191 10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.561 -0.625 9.062 1.00 0.00 H new ATOM 535 N ILE A 36 6.864 1.037 16.432 1.00 0.00 N ATOM 536 CA ILE A 36 5.822 0.629 17.357 1.00 0.00 C ATOM 537 C ILE A 36 5.230 -0.698 16.915 1.00 0.00 C ATOM 538 O ILE A 36 4.750 -0.860 15.795 1.00 0.00 O ATOM 539 CB ILE A 36 4.714 1.701 17.513 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.642 1.215 18.495 1.00 0.00 C ATOM 541 CG2 ILE A 36 4.096 2.055 16.167 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.586 2.251 18.809 1.00 0.00 C ATOM 0 H ILE A 36 6.528 1.525 15.602 1.00 0.00 H new ATOM 0 HA ILE A 36 6.281 0.511 18.339 1.00 0.00 H new ATOM 0 HB ILE A 36 5.169 2.607 17.914 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.158 0.330 18.081 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.125 0.909 19.423 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.322 2.809 16.309 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.867 2.447 15.504 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.655 1.162 15.723 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.863 1.833 19.510 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.057 3.128 19.253 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.075 2.540 17.890 1.00 0.00 H new ATOM 554 N CYS A 37 5.312 -1.654 17.806 1.00 0.00 N ATOM 555 CA CYS A 37 4.898 -3.012 17.530 1.00 0.00 C ATOM 556 C CYS A 37 3.375 -3.116 17.497 1.00 0.00 C ATOM 557 O CYS A 37 2.715 -2.910 18.512 1.00 0.00 O ATOM 558 CB CYS A 37 5.489 -3.896 18.614 1.00 0.00 C ATOM 559 SG CYS A 37 5.226 -5.671 18.406 1.00 0.00 S ATOM 0 H CYS A 37 5.670 -1.514 18.751 1.00 0.00 H new ATOM 0 HA CYS A 37 5.255 -3.332 16.551 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.562 -3.710 18.665 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.068 -3.595 19.573 1.00 0.00 H new ATOM 564 N ARG A 38 2.827 -3.463 16.331 1.00 0.00 N ATOM 565 CA ARG A 38 1.374 -3.459 16.116 1.00 0.00 C ATOM 566 C ARG A 38 0.672 -4.603 16.841 1.00 0.00 C ATOM 567 O ARG A 38 -0.541 -4.764 16.721 1.00 0.00 O ATOM 568 CB ARG A 38 1.052 -3.548 14.622 1.00 0.00 C ATOM 569 CG ARG A 38 1.453 -2.318 13.822 1.00 0.00 C ATOM 570 CD ARG A 38 0.670 -1.090 14.262 1.00 0.00 C ATOM 571 NE ARG A 38 -0.769 -1.352 14.318 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.697 -0.520 13.850 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.355 0.592 13.226 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.979 -0.817 13.981 1.00 0.00 N ATOM 0 H ARG A 38 3.368 -3.752 15.516 1.00 0.00 H new ATOM 0 HA ARG A 38 1.005 -2.519 16.527 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.557 -4.419 14.205 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.019 -3.712 14.502 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.520 -2.134 13.945 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.281 -2.500 12.761 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.019 -0.769 15.243 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.863 -0.269 13.571 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.080 -2.226 14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.370 0.822 13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.076 1.221 12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.257 -1.684 14.441 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.690 -0.179 13.622 1.00 0.00 H new ATOM 588 N THR A 39 1.424 -5.399 17.577 1.00 0.00 N ATOM 589 CA THR A 39 0.843 -6.515 18.300 1.00 0.00 C ATOM 590 C THR A 39 0.610 -6.161 19.768 1.00 0.00 C ATOM 591 O THR A 39 -0.522 -6.149 20.240 1.00 0.00 O ATOM 592 CB THR A 39 1.752 -7.752 18.213 1.00 0.00 C ATOM 593 OG1 THR A 39 2.317 -7.844 16.900 1.00 0.00 O ATOM 594 CG2 THR A 39 0.971 -9.019 18.520 1.00 0.00 C ATOM 0 H THR A 39 2.432 -5.295 17.690 1.00 0.00 H new ATOM 0 HA THR A 39 -0.117 -6.740 17.835 1.00 0.00 H new ATOM 0 HB THR A 39 2.548 -7.647 18.950 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.765 -8.709 16.797 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.635 -9.881 18.452 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.558 -8.957 19.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.159 -9.129 17.801 1.00 0.00 H new ATOM 602 N CYS A 40 1.689 -5.844 20.473 1.00 0.00 N ATOM 603 CA CYS A 40 1.613 -5.596 21.909 1.00 0.00 C ATOM 604 C CYS A 40 1.658 -4.098 22.215 1.00 0.00 C ATOM 605 O CYS A 40 1.666 -3.692 23.373 1.00 0.00 O ATOM 606 CB CYS A 40 2.754 -6.324 22.624 1.00 0.00 C ATOM 607 SG CYS A 40 4.406 -5.735 22.147 1.00 0.00 S ATOM 0 H CYS A 40 2.624 -5.753 20.076 1.00 0.00 H new ATOM 0 HA CYS A 40 0.661 -5.980 22.274 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.632 -6.204 23.701 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.683 -7.391 22.412 1.00 0.00 H new ATOM 612 N GLY A 41 1.717 -3.281 21.163 1.00 0.00 N ATOM 613 CA GLY A 41 1.619 -1.838 21.324 1.00 0.00 C ATOM 614 C GLY A 41 2.855 -1.188 21.918 1.00 0.00 C ATOM 615 O GLY A 41 2.808 -0.027 22.328 1.00 0.00 O ATOM 0 H GLY A 41 1.831 -3.595 20.199 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.419 -1.389 20.351 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.763 -1.613 21.961 1.00 0.00 H new ATOM 619 N HIS A 42 3.973 -1.901 21.956 1.00 0.00 N ATOM 620 CA HIS A 42 5.168 -1.340 22.570 1.00 0.00 C ATOM 621 C HIS A 42 6.050 -0.677 21.522 1.00 0.00 C ATOM 622 O HIS A 42 6.289 -1.240 20.450 1.00 0.00 O ATOM 623 CB HIS A 42 5.962 -2.404 23.328 1.00 0.00 C ATOM 624 CG HIS A 42 6.883 -1.817 24.356 1.00 0.00 C ATOM 625 ND1 HIS A 42 8.245 -2.023 24.361 1.00 0.00 N ATOM 626 CD2 HIS A 42 6.622 -1.020 25.420 1.00 0.00 C ATOM 627 CE1 HIS A 42 8.780 -1.379 25.381 1.00 0.00 C ATOM 628 NE2 HIS A 42 7.818 -0.764 26.035 1.00 0.00 N ATOM 0 H HIS A 42 4.077 -2.843 21.580 1.00 0.00 H new ATOM 0 HA HIS A 42 4.843 -0.586 23.287 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.269 -3.089 23.816 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.544 -2.991 22.618 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.653 -0.655 25.726 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.829 -1.360 25.636 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.943 -0.188 26.868 1.00 0.00 H new ATOM 637 N VAL A 43 6.516 0.525 21.835 1.00 0.00 N ATOM 638 CA VAL A 43 7.403 1.265 20.949 1.00 0.00 C ATOM 639 C VAL A 43 8.858 0.941 21.278 1.00 0.00 C ATOM 640 O VAL A 43 9.252 0.939 22.446 1.00 0.00 O ATOM 641 CB VAL A 43 7.183 2.791 21.074 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.969 3.539 20.006 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.701 3.137 21.000 1.00 0.00 C ATOM 0 H VAL A 43 6.292 1.011 22.703 1.00 0.00 H new ATOM 0 HA VAL A 43 7.175 0.964 19.926 1.00 0.00 H new ATOM 0 HB VAL A 43 7.552 3.106 22.050 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.799 4.610 20.113 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.032 3.327 20.121 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.639 3.216 19.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.574 4.216 21.090 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.297 2.803 20.044 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.170 2.640 21.812 1.00 0.00 H new ATOM 653 N GLY A 44 9.645 0.646 20.253 1.00 0.00 N ATOM 654 CA GLY A 44 11.045 0.341 20.456 1.00 0.00 C ATOM 655 C GLY A 44 11.929 1.048 19.451 1.00 0.00 C ATOM 656 O GLY A 44 11.430 1.658 18.503 1.00 0.00 O ATOM 0 H GLY A 44 9.337 0.613 19.281 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.337 0.633 21.465 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.197 -0.736 20.379 1.00 0.00 H new ATOM 660 N CYS A 45 13.237 0.974 19.656 1.00 0.00 N ATOM 661 CA CYS A 45 14.183 1.604 18.748 1.00 0.00 C ATOM 662 C CYS A 45 14.458 0.711 17.550 1.00 0.00 C ATOM 663 O CYS A 45 14.623 -0.505 17.692 1.00 0.00 O ATOM 664 CB CYS A 45 15.487 1.942 19.473 1.00 0.00 C ATOM 665 SG CYS A 45 16.178 0.586 20.446 1.00 0.00 S ATOM 0 H CYS A 45 13.666 0.485 20.442 1.00 0.00 H new ATOM 0 HA CYS A 45 13.738 2.532 18.389 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.226 2.257 18.736 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.311 2.792 20.132 1.00 0.00 H new ATOM 0 HG CYS A 45 17.005 1.063 21.329 1.00 0.00 H new ATOM 671 N CYS A 46 14.494 1.325 16.377 1.00 0.00 N ATOM 672 CA CYS A 46 14.730 0.609 15.134 1.00 0.00 C ATOM 673 C CYS A 46 16.147 0.039 15.094 1.00 0.00 C ATOM 674 O CYS A 46 16.972 0.337 15.960 1.00 0.00 O ATOM 675 CB CYS A 46 14.505 1.549 13.947 1.00 0.00 C ATOM 676 SG CYS A 46 14.403 0.715 12.349 1.00 0.00 S ATOM 0 H CYS A 46 14.361 2.330 16.261 1.00 0.00 H new ATOM 0 HA CYS A 46 14.029 -0.223 15.073 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.584 2.109 14.111 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.318 2.275 13.914 1.00 0.00 H new ATOM 0 HG CYS A 46 15.162 1.328 11.490 1.00 0.00 H new ATOM 682 N ASP A 47 16.428 -0.762 14.074 1.00 0.00 N ATOM 683 CA ASP A 47 17.730 -1.401 13.936 1.00 0.00 C ATOM 684 C ASP A 47 18.773 -0.398 13.454 1.00 0.00 C ATOM 685 O ASP A 47 19.966 -0.702 13.413 1.00 0.00 O ATOM 686 CB ASP A 47 17.654 -2.588 12.971 1.00 0.00 C ATOM 687 CG ASP A 47 17.375 -2.167 11.543 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.264 -1.670 11.274 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.266 -2.336 10.681 1.00 0.00 O ATOM 0 H ASP A 47 15.769 -0.985 13.328 1.00 0.00 H new ATOM 0 HA ASP A 47 18.029 -1.771 14.917 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.594 -3.139 13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.872 -3.271 13.303 1.00 0.00 H new ATOM 694 N ASP A 48 18.308 0.794 13.079 1.00 0.00 N ATOM 695 CA ASP A 48 19.198 1.895 12.715 1.00 0.00 C ATOM 696 C ASP A 48 20.130 2.213 13.877 1.00 0.00 C ATOM 697 O ASP A 48 21.325 2.442 13.692 1.00 0.00 O ATOM 698 CB ASP A 48 18.394 3.145 12.343 1.00 0.00 C ATOM 699 CG ASP A 48 17.529 2.950 11.114 1.00 0.00 C ATOM 700 OD1 ASP A 48 16.363 2.533 11.263 1.00 0.00 O ATOM 701 OD2 ASP A 48 18.008 3.225 9.993 1.00 0.00 O ATOM 0 H ASP A 48 17.315 1.021 13.020 1.00 0.00 H new ATOM 0 HA ASP A 48 19.785 1.589 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.761 3.427 13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.081 3.973 12.169 1.00 0.00 H new ATOM 706 N SER A 49 19.570 2.225 15.078 1.00 0.00 N ATOM 707 CA SER A 49 20.362 2.353 16.286 1.00 0.00 C ATOM 708 C SER A 49 20.897 0.974 16.670 1.00 0.00 C ATOM 709 O SER A 49 20.150 -0.005 16.649 1.00 0.00 O ATOM 710 CB SER A 49 19.510 2.939 17.417 1.00 0.00 C ATOM 711 OG SER A 49 18.940 4.187 17.040 1.00 0.00 O ATOM 0 H SER A 49 18.566 2.147 15.239 1.00 0.00 H new ATOM 0 HA SER A 49 21.199 3.030 16.112 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.717 2.238 17.678 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.125 3.071 18.307 1.00 0.00 H new ATOM 0 HG SER A 49 18.400 4.537 17.779 1.00 0.00 H new ATOM 717 N PRO A 50 22.192 0.879 17.027 1.00 0.00 N ATOM 718 CA PRO A 50 22.865 -0.407 17.293 1.00 0.00 C ATOM 719 C PRO A 50 22.196 -1.229 18.397 1.00 0.00 C ATOM 720 O PRO A 50 22.455 -2.424 18.537 1.00 0.00 O ATOM 721 CB PRO A 50 24.282 -0.002 17.719 1.00 0.00 C ATOM 722 CG PRO A 50 24.193 1.445 18.065 1.00 0.00 C ATOM 723 CD PRO A 50 23.112 2.014 17.194 1.00 0.00 C ATOM 0 HA PRO A 50 22.832 -1.050 16.413 1.00 0.00 H new ATOM 0 HB2 PRO A 50 24.619 -0.590 18.573 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.997 -0.170 16.914 1.00 0.00 H new ATOM 0 HG2 PRO A 50 23.955 1.580 19.120 1.00 0.00 H new ATOM 0 HG3 PRO A 50 25.143 1.948 17.886 1.00 0.00 H new ATOM 0 HD2 PRO A 50 22.621 2.866 17.664 1.00 0.00 H new ATOM 0 HD3 PRO A 50 23.504 2.360 16.238 1.00 0.00 H new ATOM 731 N HIS A 51 21.343 -0.581 19.179 1.00 0.00 N ATOM 732 CA HIS A 51 20.601 -1.251 20.239 1.00 0.00 C ATOM 733 C HIS A 51 19.641 -2.283 19.642 1.00 0.00 C ATOM 734 O HIS A 51 19.463 -3.368 20.196 1.00 0.00 O ATOM 735 CB HIS A 51 19.819 -0.210 21.036 1.00 0.00 C ATOM 736 CG HIS A 51 19.558 -0.572 22.465 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.633 0.352 23.483 1.00 0.00 N ATOM 738 CD2 HIS A 51 19.184 -1.738 23.045 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.314 -0.220 24.623 1.00 0.00 C ATOM 740 NE2 HIS A 51 19.039 -1.490 24.388 1.00 0.00 N ATOM 0 H HIS A 51 21.147 0.417 19.098 1.00 0.00 H new ATOM 0 HA HIS A 51 21.298 -1.768 20.898 1.00 0.00 H new ATOM 0 HB2 HIS A 51 20.367 0.732 21.010 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.864 -0.037 20.540 1.00 0.00 H new ATOM 0 HD2 HIS A 51 19.029 -2.683 22.546 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.282 0.266 25.587 1.00 0.00 H new ATOM 0 HE2 HIS A 51 18.763 -2.176 25.091 1.00 0.00 H new ATOM 749 N LYS A 52 19.026 -1.913 18.512 1.00 0.00 N ATOM 750 CA LYS A 52 18.128 -2.792 17.751 1.00 0.00 C ATOM 751 C LYS A 52 17.109 -3.502 18.643 1.00 0.00 C ATOM 752 O LYS A 52 16.943 -4.719 18.561 1.00 0.00 O ATOM 753 CB LYS A 52 18.938 -3.833 16.972 1.00 0.00 C ATOM 754 CG LYS A 52 19.990 -3.233 16.054 1.00 0.00 C ATOM 755 CD LYS A 52 20.595 -4.282 15.137 1.00 0.00 C ATOM 756 CE LYS A 52 21.305 -5.372 15.920 1.00 0.00 C ATOM 757 NZ LYS A 52 21.802 -6.452 15.030 1.00 0.00 N ATOM 0 H LYS A 52 19.138 -0.988 18.096 1.00 0.00 H new ATOM 0 HA LYS A 52 17.576 -2.156 17.060 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.427 -4.503 17.680 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.255 -4.440 16.378 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.542 -2.440 15.455 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.777 -2.774 16.652 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.810 -4.726 14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.300 -3.806 14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.141 -4.940 16.470 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.622 -5.794 16.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.281 -7.178 15.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.001 -6.881 14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.473 -6.054 14.342 1.00 0.00 H new ATOM 771 N HIS A 53 16.400 -2.748 19.473 1.00 0.00 N ATOM 772 CA HIS A 53 15.467 -3.358 20.414 1.00 0.00 C ATOM 773 C HIS A 53 14.191 -3.811 19.705 1.00 0.00 C ATOM 774 O HIS A 53 13.462 -4.656 20.218 1.00 0.00 O ATOM 775 CB HIS A 53 15.125 -2.395 21.555 1.00 0.00 C ATOM 776 CG HIS A 53 14.462 -3.066 22.724 1.00 0.00 C ATOM 777 ND1 HIS A 53 13.114 -2.965 22.994 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.979 -3.852 23.699 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.834 -3.658 24.083 1.00 0.00 C ATOM 780 NE2 HIS A 53 13.948 -4.206 24.534 1.00 0.00 N ATOM 0 H HIS A 53 16.450 -1.730 19.515 1.00 0.00 H new ATOM 0 HA HIS A 53 15.956 -4.235 20.839 1.00 0.00 H new ATOM 0 HB2 HIS A 53 16.039 -1.908 21.896 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.469 -1.612 21.175 1.00 0.00 H new ATOM 0 HD2 HIS A 53 16.013 -4.146 23.801 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.856 -3.760 24.530 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.029 -4.794 25.364 1.00 0.00 H new ATOM 789 N ALA A 54 13.923 -3.245 18.533 1.00 0.00 N ATOM 790 CA ALA A 54 12.743 -3.616 17.757 1.00 0.00 C ATOM 791 C ALA A 54 12.907 -5.002 17.141 1.00 0.00 C ATOM 792 O ALA A 54 11.992 -5.828 17.191 1.00 0.00 O ATOM 793 CB ALA A 54 12.473 -2.583 16.671 1.00 0.00 C ATOM 0 H ALA A 54 14.505 -2.529 18.099 1.00 0.00 H new ATOM 0 HA ALA A 54 11.889 -3.644 18.434 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.590 -2.875 16.102 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.303 -1.609 17.130 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.332 -2.525 16.003 1.00 0.00 H new ATOM 799 N THR A 55 14.077 -5.256 16.573 1.00 0.00 N ATOM 800 CA THR A 55 14.353 -6.529 15.927 1.00 0.00 C ATOM 801 C THR A 55 14.567 -7.626 16.965 1.00 0.00 C ATOM 802 O THR A 55 14.036 -8.732 16.839 1.00 0.00 O ATOM 803 CB THR A 55 15.582 -6.418 15.008 1.00 0.00 C ATOM 804 OG1 THR A 55 16.655 -5.774 15.704 1.00 0.00 O ATOM 805 CG2 THR A 55 15.248 -5.633 13.748 1.00 0.00 C ATOM 0 H THR A 55 14.853 -4.594 16.547 1.00 0.00 H new ATOM 0 HA THR A 55 13.488 -6.793 15.318 1.00 0.00 H new ATOM 0 HB THR A 55 15.885 -7.425 14.720 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.501 -6.217 15.483 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.133 -5.568 13.114 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.449 -6.139 13.205 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.922 -4.629 14.020 1.00 0.00 H new ATOM 813 N ARG A 56 15.326 -7.303 18.009 1.00 0.00 N ATOM 814 CA ARG A 56 15.536 -8.222 19.122 1.00 0.00 C ATOM 815 C ARG A 56 14.207 -8.578 19.784 1.00 0.00 C ATOM 816 O ARG A 56 14.038 -9.674 20.319 1.00 0.00 O ATOM 817 CB ARG A 56 16.495 -7.605 20.144 1.00 0.00 C ATOM 818 CG ARG A 56 17.948 -7.606 19.689 1.00 0.00 C ATOM 819 CD ARG A 56 18.815 -6.706 20.556 1.00 0.00 C ATOM 820 NE ARG A 56 18.698 -7.016 21.982 1.00 0.00 N ATOM 821 CZ ARG A 56 19.507 -6.526 22.920 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.556 -5.786 22.582 1.00 0.00 N ATOM 823 NH2 ARG A 56 19.278 -6.797 24.198 1.00 0.00 N ATOM 0 H ARG A 56 15.807 -6.409 18.107 1.00 0.00 H new ATOM 0 HA ARG A 56 15.981 -9.139 18.735 1.00 0.00 H new ATOM 0 HB2 ARG A 56 16.187 -6.579 20.347 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.416 -8.154 21.083 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.337 -8.624 19.720 1.00 0.00 H new ATOM 0 HG3 ARG A 56 18.004 -7.274 18.652 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.856 -6.807 20.250 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.533 -5.666 20.390 1.00 0.00 H new ATOM 0 HE ARG A 56 17.951 -7.646 22.275 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.746 -5.590 21.599 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.172 -5.414 23.305 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.483 -7.380 24.461 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.897 -6.423 24.917 1.00 0.00 H new ATOM 837 N HIS A 57 13.257 -7.651 19.720 1.00 0.00 N ATOM 838 CA HIS A 57 11.925 -7.872 20.267 1.00 0.00 C ATOM 839 C HIS A 57 11.198 -8.974 19.501 1.00 0.00 C ATOM 840 O HIS A 57 10.531 -9.821 20.098 1.00 0.00 O ATOM 841 CB HIS A 57 11.108 -6.577 20.223 1.00 0.00 C ATOM 842 CG HIS A 57 9.695 -6.741 20.685 1.00 0.00 C ATOM 843 ND1 HIS A 57 9.331 -6.842 22.005 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.546 -6.837 19.970 1.00 0.00 C ATOM 845 CE1 HIS A 57 8.005 -6.996 22.056 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.481 -7.000 20.846 1.00 0.00 N ATOM 0 H HIS A 57 13.387 -6.734 19.292 1.00 0.00 H new ATOM 0 HA HIS A 57 12.034 -8.187 21.305 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.599 -5.827 20.843 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.105 -6.194 19.202 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.962 -6.806 22.806 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.472 -6.794 18.893 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.437 -7.103 22.968 1.00 0.00 H new ATOM 854 N PHE A 58 11.329 -8.956 18.180 1.00 0.00 N ATOM 855 CA PHE A 58 10.691 -9.955 17.332 1.00 0.00 C ATOM 856 C PHE A 58 11.237 -11.342 17.640 1.00 0.00 C ATOM 857 O PHE A 58 10.494 -12.320 17.667 1.00 0.00 O ATOM 858 CB PHE A 58 10.902 -9.612 15.854 1.00 0.00 C ATOM 859 CG PHE A 58 10.455 -10.692 14.906 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.155 -11.164 14.925 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.342 -11.231 13.994 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.748 -12.154 14.051 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.943 -12.221 13.117 1.00 0.00 C ATOM 864 CZ PHE A 58 9.644 -12.684 13.147 1.00 0.00 C ATOM 0 H PHE A 58 11.873 -8.258 17.672 1.00 0.00 H new ATOM 0 HA PHE A 58 9.621 -9.953 17.539 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.361 -8.694 15.624 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.960 -9.410 15.686 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.449 -10.754 15.632 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.361 -10.874 13.966 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.729 -12.512 14.076 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.647 -12.632 12.409 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.330 -13.460 12.464 1.00 0.00 H new ATOM 874 N HIS A 59 12.531 -11.412 17.902 1.00 0.00 N ATOM 875 CA HIS A 59 13.182 -12.676 18.221 1.00 0.00 C ATOM 876 C HIS A 59 12.704 -13.222 19.565 1.00 0.00 C ATOM 877 O HIS A 59 12.735 -14.429 19.801 1.00 0.00 O ATOM 878 CB HIS A 59 14.705 -12.512 18.226 1.00 0.00 C ATOM 879 CG HIS A 59 15.310 -12.422 16.856 1.00 0.00 C ATOM 880 ND1 HIS A 59 16.338 -13.238 16.436 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.032 -11.607 15.811 1.00 0.00 C ATOM 882 CE1 HIS A 59 16.663 -12.930 15.195 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.887 -11.945 14.791 1.00 0.00 N ATOM 0 H HIS A 59 13.156 -10.606 17.901 1.00 0.00 H new ATOM 0 HA HIS A 59 12.909 -13.394 17.448 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.962 -11.613 18.786 1.00 0.00 H new ATOM 0 HB3 HIS A 59 15.150 -13.355 18.755 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.278 -10.834 15.785 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.435 -13.405 14.609 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.916 -11.505 13.871 1.00 0.00 H new ATOM 892 N ALA A 60 12.269 -12.329 20.444 1.00 0.00 N ATOM 893 CA ALA A 60 11.824 -12.722 21.775 1.00 0.00 C ATOM 894 C ALA A 60 10.328 -13.045 21.810 1.00 0.00 C ATOM 895 O ALA A 60 9.925 -14.094 22.310 1.00 0.00 O ATOM 896 CB ALA A 60 12.147 -11.626 22.781 1.00 0.00 C ATOM 0 H ALA A 60 12.215 -11.327 20.260 1.00 0.00 H new ATOM 0 HA ALA A 60 12.361 -13.632 22.043 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.810 -11.931 23.772 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.223 -11.456 22.800 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.639 -10.706 22.492 1.00 0.00 H new ATOM 902 N THR A 61 9.506 -12.147 21.277 1.00 0.00 N ATOM 903 CA THR A 61 8.052 -12.288 21.386 1.00 0.00 C ATOM 904 C THR A 61 7.433 -12.976 20.170 1.00 0.00 C ATOM 905 O THR A 61 6.374 -13.593 20.275 1.00 0.00 O ATOM 906 CB THR A 61 7.368 -10.922 21.574 1.00 0.00 C ATOM 907 OG1 THR A 61 7.873 -9.988 20.610 1.00 0.00 O ATOM 908 CG2 THR A 61 7.585 -10.381 22.979 1.00 0.00 C ATOM 0 H THR A 61 9.815 -11.319 20.768 1.00 0.00 H new ATOM 0 HA THR A 61 7.884 -12.913 22.263 1.00 0.00 H new ATOM 0 HB THR A 61 6.297 -11.058 21.426 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.514 -9.096 20.799 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.089 -9.415 23.078 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.169 -11.079 23.706 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.653 -10.261 23.162 1.00 0.00 H new ATOM 916 N GLY A 62 8.086 -12.866 19.022 1.00 0.00 N ATOM 917 CA GLY A 62 7.520 -13.403 17.800 1.00 0.00 C ATOM 918 C GLY A 62 6.446 -12.498 17.226 1.00 0.00 C ATOM 919 O GLY A 62 5.418 -12.967 16.740 1.00 0.00 O ATOM 0 H GLY A 62 8.995 -12.416 18.914 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.311 -13.539 17.063 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.097 -14.388 17.999 1.00 0.00 H new ATOM 923 N HIS A 63 6.682 -11.192 17.289 1.00 0.00 N ATOM 924 CA HIS A 63 5.731 -10.212 16.770 1.00 0.00 C ATOM 925 C HIS A 63 6.289 -9.604 15.485 1.00 0.00 C ATOM 926 O HIS A 63 7.172 -8.748 15.528 1.00 0.00 O ATOM 927 CB HIS A 63 5.461 -9.112 17.806 1.00 0.00 C ATOM 928 CG HIS A 63 4.769 -9.578 19.062 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.545 -8.713 20.106 1.00 0.00 N ATOM 930 CD2 HIS A 63 4.267 -10.796 19.386 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.917 -9.408 21.029 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.725 -10.679 20.643 1.00 0.00 N ATOM 0 H HIS A 63 7.525 -10.786 17.695 1.00 0.00 H new ATOM 0 HA HIS A 63 4.786 -10.711 16.558 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.410 -8.652 18.081 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.853 -8.336 17.340 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.289 -11.686 18.774 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.596 -9.006 21.979 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.266 -11.415 21.179 1.00 0.00 H new ATOM 940 N PRO A 64 5.780 -10.048 14.326 1.00 0.00 N ATOM 941 CA PRO A 64 6.410 -9.789 13.026 1.00 0.00 C ATOM 942 C PRO A 64 6.071 -8.441 12.381 1.00 0.00 C ATOM 943 O PRO A 64 6.543 -8.160 11.279 1.00 0.00 O ATOM 944 CB PRO A 64 5.853 -10.923 12.172 1.00 0.00 C ATOM 945 CG PRO A 64 4.482 -11.150 12.709 1.00 0.00 C ATOM 946 CD PRO A 64 4.555 -10.861 14.187 1.00 0.00 C ATOM 0 HA PRO A 64 7.494 -9.746 13.128 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.827 -10.650 11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.466 -11.821 12.254 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.759 -10.497 12.220 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.158 -12.175 12.528 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.674 -10.320 14.533 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.615 -11.779 14.772 1.00 0.00 H new ATOM 954 N ILE A 65 5.265 -7.606 13.026 1.00 0.00 N ATOM 955 CA ILE A 65 4.880 -6.341 12.405 1.00 0.00 C ATOM 956 C ILE A 65 5.162 -5.140 13.306 1.00 0.00 C ATOM 957 O ILE A 65 4.735 -5.087 14.465 1.00 0.00 O ATOM 958 CB ILE A 65 3.395 -6.330 11.972 1.00 0.00 C ATOM 959 CG1 ILE A 65 3.140 -7.427 10.928 1.00 0.00 C ATOM 960 CG2 ILE A 65 3.017 -4.964 11.410 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.742 -7.414 10.345 1.00 0.00 C ATOM 0 H ILE A 65 4.874 -7.773 13.953 1.00 0.00 H new ATOM 0 HA ILE A 65 5.501 -6.253 11.513 1.00 0.00 H new ATOM 0 HB ILE A 65 2.774 -6.528 12.846 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.861 -7.317 10.118 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.322 -8.399 11.386 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.969 -4.971 11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.170 -4.201 12.174 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.641 -4.741 10.545 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.644 -8.219 9.617 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.014 -7.556 11.143 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.561 -6.457 9.855 1.00 0.00 H new ATOM 973 N ILE A 66 5.883 -4.176 12.745 1.00 0.00 N ATOM 974 CA ILE A 66 6.207 -2.935 13.435 1.00 0.00 C ATOM 975 C ILE A 66 5.864 -1.740 12.555 1.00 0.00 C ATOM 976 O ILE A 66 6.115 -1.752 11.354 1.00 0.00 O ATOM 977 CB ILE A 66 7.699 -2.860 13.819 1.00 0.00 C ATOM 978 CG1 ILE A 66 8.584 -3.042 12.580 1.00 0.00 C ATOM 979 CG2 ILE A 66 8.025 -3.907 14.871 1.00 0.00 C ATOM 980 CD1 ILE A 66 10.049 -2.772 12.832 1.00 0.00 C ATOM 0 H ILE A 66 6.259 -4.234 11.799 1.00 0.00 H new ATOM 0 HA ILE A 66 5.615 -2.913 14.350 1.00 0.00 H new ATOM 0 HB ILE A 66 7.901 -1.875 14.239 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.470 -4.061 12.210 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.232 -2.376 11.792 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.081 -3.843 15.133 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.419 -3.731 15.760 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.809 -4.900 14.476 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.610 -2.921 11.910 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.176 -1.744 13.172 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.419 -3.455 13.596 1.00 0.00 H new ATOM 992 N GLU A 67 5.293 -0.714 13.154 1.00 0.00 N ATOM 993 CA GLU A 67 4.894 0.475 12.419 1.00 0.00 C ATOM 994 C GLU A 67 5.881 1.611 12.670 1.00 0.00 C ATOM 995 O GLU A 67 6.489 1.687 13.741 1.00 0.00 O ATOM 996 CB GLU A 67 3.480 0.885 12.840 1.00 0.00 C ATOM 997 CG GLU A 67 2.953 2.134 12.155 1.00 0.00 C ATOM 998 CD GLU A 67 1.519 2.423 12.532 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.626 1.724 12.024 1.00 0.00 O ATOM 1000 OE2 GLU A 67 1.279 3.330 13.352 1.00 0.00 O ATOM 0 H GLU A 67 5.093 -0.678 14.154 1.00 0.00 H new ATOM 0 HA GLU A 67 4.896 0.255 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.800 0.059 12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.468 1.045 13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.577 2.986 12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.027 2.013 11.074 1.00 0.00 H new ATOM 1007 N GLY A 68 6.061 2.467 11.672 1.00 0.00 N ATOM 1008 CA GLY A 68 6.897 3.638 11.842 1.00 0.00 C ATOM 1009 C GLY A 68 6.206 4.680 12.694 1.00 0.00 C ATOM 1010 O GLY A 68 5.252 5.315 12.251 1.00 0.00 O ATOM 0 H GLY A 68 5.642 2.370 10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.840 3.351 12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.138 4.062 10.867 1.00 0.00 H new ATOM 1014 N TYR A 69 6.689 4.856 13.916 1.00 0.00 N ATOM 1015 CA TYR A 69 6.008 5.701 14.886 1.00 0.00 C ATOM 1016 C TYR A 69 6.540 7.135 14.858 1.00 0.00 C ATOM 1017 O TYR A 69 5.816 8.080 15.180 1.00 0.00 O ATOM 1018 CB TYR A 69 6.148 5.098 16.287 1.00 0.00 C ATOM 1019 CG TYR A 69 5.298 5.779 17.332 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.960 6.064 17.088 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.832 6.140 18.558 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.182 6.690 18.039 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.060 6.765 19.514 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.737 7.038 19.251 1.00 0.00 C ATOM 1025 OH TYR A 69 2.968 7.669 20.199 1.00 0.00 O ATOM 0 H TYR A 69 7.548 4.426 14.258 1.00 0.00 H new ATOM 0 HA TYR A 69 4.952 5.744 14.618 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.880 4.042 16.246 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.193 5.150 16.592 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.523 5.791 16.139 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.870 5.928 18.768 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.144 6.906 17.835 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.492 7.039 20.465 1.00 0.00 H new ATOM 0 HH TYR A 69 3.389 7.573 21.079 1.00 0.00 H new ATOM 1035 N ASP A 70 7.798 7.304 14.469 1.00 0.00 N ATOM 1036 CA ASP A 70 8.381 8.640 14.389 1.00 0.00 C ATOM 1037 C ASP A 70 7.937 9.383 13.115 1.00 0.00 C ATOM 1038 O ASP A 70 7.703 10.590 13.175 1.00 0.00 O ATOM 1039 CB ASP A 70 9.917 8.613 14.523 1.00 0.00 C ATOM 1040 CG ASP A 70 10.625 7.949 13.364 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.630 6.704 13.305 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.194 8.664 12.518 1.00 0.00 O ATOM 0 H ASP A 70 8.427 6.545 14.207 1.00 0.00 H new ATOM 0 HA ASP A 70 7.997 9.200 15.242 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.281 9.636 14.619 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.182 8.092 15.443 1.00 0.00 H new ATOM 1047 N PRO A 71 7.788 8.710 11.942 1.00 0.00 N ATOM 1048 CA PRO A 71 7.243 9.347 10.758 1.00 0.00 C ATOM 1049 C PRO A 71 5.725 9.199 10.700 1.00 0.00 C ATOM 1050 O PRO A 71 5.206 8.084 10.637 1.00 0.00 O ATOM 1051 CB PRO A 71 7.903 8.587 9.598 1.00 0.00 C ATOM 1052 CG PRO A 71 8.553 7.375 10.199 1.00 0.00 C ATOM 1053 CD PRO A 71 8.134 7.316 11.643 1.00 0.00 C ATOM 0 HA PRO A 71 7.440 10.419 10.734 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.163 8.300 8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.639 9.212 9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.245 6.472 9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.638 7.439 10.115 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.285 6.649 11.790 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.939 6.954 12.283 1.00 0.00 H new ATOM 1061 N PRO A 72 4.992 10.323 10.715 1.00 0.00 N ATOM 1062 CA PRO A 72 3.520 10.326 10.706 1.00 0.00 C ATOM 1063 C PRO A 72 2.930 9.896 9.359 1.00 0.00 C ATOM 1064 O PRO A 72 1.884 10.393 8.937 1.00 0.00 O ATOM 1065 CB PRO A 72 3.160 11.792 11.001 1.00 0.00 C ATOM 1066 CG PRO A 72 4.432 12.444 11.434 1.00 0.00 C ATOM 1067 CD PRO A 72 5.533 11.685 10.761 1.00 0.00 C ATOM 0 HA PRO A 72 3.117 9.616 11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.752 12.280 10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.401 11.859 11.781 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.450 13.495 11.146 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.539 12.409 12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.744 12.073 9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.464 11.734 11.325 1.00 0.00 H new ATOM 1075 N GLU A 73 3.592 8.953 8.705 1.00 0.00 N ATOM 1076 CA GLU A 73 3.170 8.471 7.400 1.00 0.00 C ATOM 1077 C GLU A 73 2.150 7.351 7.555 1.00 0.00 C ATOM 1078 O GLU A 73 1.185 7.264 6.797 1.00 0.00 O ATOM 1079 CB GLU A 73 4.377 7.960 6.616 1.00 0.00 C ATOM 1080 CG GLU A 73 5.525 8.949 6.546 1.00 0.00 C ATOM 1081 CD GLU A 73 6.717 8.391 5.802 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.485 7.608 6.399 1.00 0.00 O ATOM 1083 OE2 GLU A 73 6.889 8.731 4.615 1.00 0.00 O ATOM 0 H GLU A 73 4.434 8.502 9.063 1.00 0.00 H new ATOM 0 HA GLU A 73 2.711 9.297 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.732 7.037 7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.062 7.711 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.187 9.861 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.827 9.225 7.557 1.00 0.00 H new ATOM 1090 N GLY A 74 2.370 6.498 8.548 1.00 0.00 N ATOM 1091 CA GLY A 74 1.473 5.386 8.782 1.00 0.00 C ATOM 1092 C GLY A 74 1.767 4.213 7.871 1.00 0.00 C ATOM 1093 O GLY A 74 1.156 4.071 6.809 1.00 0.00 O ATOM 0 H GLY A 74 3.156 6.558 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.556 5.067 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.444 5.713 8.630 1.00 0.00 H new ATOM 1097 N TRP A 75 2.711 3.379 8.277 1.00 0.00 N ATOM 1098 CA TRP A 75 3.076 2.199 7.508 1.00 0.00 C ATOM 1099 C TRP A 75 3.586 1.095 8.426 1.00 0.00 C ATOM 1100 O TRP A 75 4.298 1.359 9.397 1.00 0.00 O ATOM 1101 CB TRP A 75 4.127 2.538 6.438 1.00 0.00 C ATOM 1102 CG TRP A 75 5.298 3.332 6.944 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.447 4.686 6.884 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.483 2.826 7.574 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.646 5.056 7.442 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.301 3.932 7.874 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.930 1.547 7.917 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.538 3.796 8.498 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.156 1.413 8.536 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.948 2.531 8.823 1.00 0.00 C ATOM 0 H TRP A 75 3.241 3.498 9.140 1.00 0.00 H new ATOM 0 HA TRP A 75 2.180 1.841 7.000 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.495 1.610 6.002 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.644 3.097 5.637 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.726 5.369 6.459 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.993 6.012 7.522 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.326 0.678 7.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.152 4.657 8.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.511 0.429 8.804 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.902 2.393 9.311 1.00 0.00 H new ATOM 1121 N GLY A 76 3.199 -0.134 8.126 1.00 0.00 N ATOM 1122 CA GLY A 76 3.662 -1.266 8.899 1.00 0.00 C ATOM 1123 C GLY A 76 4.693 -2.093 8.154 1.00 0.00 C ATOM 1124 O GLY A 76 4.535 -2.376 6.965 1.00 0.00 O ATOM 0 H GLY A 76 2.570 -0.369 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.093 -0.911 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.812 -1.897 9.158 1.00 0.00 H new ATOM 1128 N TRP A 77 5.753 -2.471 8.852 1.00 0.00 N ATOM 1129 CA TRP A 77 6.781 -3.331 8.291 1.00 0.00 C ATOM 1130 C TRP A 77 6.597 -4.745 8.818 1.00 0.00 C ATOM 1131 O TRP A 77 6.350 -4.942 10.008 1.00 0.00 O ATOM 1132 CB TRP A 77 8.177 -2.810 8.655 1.00 0.00 C ATOM 1133 CG TRP A 77 9.296 -3.697 8.187 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.898 -4.703 8.892 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.951 -3.655 6.914 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.876 -5.293 8.130 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.931 -4.665 6.914 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.802 -2.863 5.775 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.756 -4.903 5.818 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.621 -3.098 4.687 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.587 -4.111 4.715 1.00 0.00 C ATOM 0 H TRP A 77 5.924 -2.192 9.818 1.00 0.00 H new ATOM 0 HA TRP A 77 6.690 -3.333 7.205 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.308 -1.817 8.224 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.242 -2.699 9.737 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.641 -4.991 9.901 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.466 -6.072 8.422 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.059 -2.080 5.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.502 -5.684 5.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.514 -2.490 3.801 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.211 -4.271 3.848 1.00 0.00 H new ATOM 1152 N CYS A 78 6.706 -5.723 7.940 1.00 0.00 N ATOM 1153 CA CYS A 78 6.545 -7.109 8.339 1.00 0.00 C ATOM 1154 C CYS A 78 7.868 -7.852 8.191 1.00 0.00 C ATOM 1155 O CYS A 78 8.351 -8.033 7.077 1.00 0.00 O ATOM 1156 CB CYS A 78 5.461 -7.770 7.491 1.00 0.00 C ATOM 1157 SG CYS A 78 4.638 -9.176 8.300 1.00 0.00 S ATOM 0 H CYS A 78 6.905 -5.585 6.949 1.00 0.00 H new ATOM 0 HA CYS A 78 6.242 -7.148 9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.710 -7.023 7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.905 -8.112 6.556 1.00 0.00 H new ATOM 1162 N TYR A 79 8.440 -8.275 9.318 1.00 0.00 N ATOM 1163 CA TYR A 79 9.769 -8.896 9.348 1.00 0.00 C ATOM 1164 C TYR A 79 9.891 -10.077 8.386 1.00 0.00 C ATOM 1165 O TYR A 79 10.623 -10.008 7.401 1.00 0.00 O ATOM 1166 CB TYR A 79 10.111 -9.371 10.762 1.00 0.00 C ATOM 1167 CG TYR A 79 10.411 -8.258 11.740 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.590 -7.530 11.649 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.531 -7.954 12.770 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.882 -6.530 12.554 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.814 -6.952 13.676 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.991 -6.245 13.565 1.00 0.00 C ATOM 1173 OH TYR A 79 11.281 -5.255 14.472 1.00 0.00 O ATOM 0 H TYR A 79 7.999 -8.198 10.235 1.00 0.00 H new ATOM 0 HA TYR A 79 10.472 -8.126 9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.278 -9.960 11.145 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.974 -10.035 10.710 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.290 -7.750 10.857 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.610 -8.511 12.864 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.804 -5.974 12.470 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.116 -6.723 14.468 1.00 0.00 H new ATOM 0 HH TYR A 79 11.010 -5.543 15.369 1.00 0.00 H new ATOM 1183 N VAL A 80 9.164 -11.152 8.673 1.00 0.00 N ATOM 1184 CA VAL A 80 9.269 -12.398 7.907 1.00 0.00 C ATOM 1185 C VAL A 80 8.878 -12.219 6.437 1.00 0.00 C ATOM 1186 O VAL A 80 9.226 -13.040 5.588 1.00 0.00 O ATOM 1187 CB VAL A 80 8.417 -13.522 8.535 1.00 0.00 C ATOM 1188 CG1 VAL A 80 9.013 -13.958 9.864 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.973 -13.076 8.723 1.00 0.00 C ATOM 0 H VAL A 80 8.489 -11.189 9.437 1.00 0.00 H new ATOM 0 HA VAL A 80 10.320 -12.683 7.944 1.00 0.00 H new ATOM 0 HB VAL A 80 8.422 -14.371 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.401 -14.751 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.026 -14.327 9.705 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.039 -13.109 10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.396 -13.888 9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.943 -12.207 9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.544 -12.813 7.756 1.00 0.00 H new ATOM 1199 N ASP A 81 8.139 -11.161 6.148 1.00 0.00 N ATOM 1200 CA ASP A 81 7.707 -10.876 4.783 1.00 0.00 C ATOM 1201 C ASP A 81 8.741 -10.014 4.075 1.00 0.00 C ATOM 1202 O ASP A 81 8.972 -10.162 2.876 1.00 0.00 O ATOM 1203 CB ASP A 81 6.371 -10.131 4.772 1.00 0.00 C ATOM 1204 CG ASP A 81 5.255 -10.852 5.498 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.474 -11.334 6.622 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.128 -10.879 4.981 1.00 0.00 O ATOM 0 H ASP A 81 7.823 -10.481 6.840 1.00 0.00 H new ATOM 0 HA ASP A 81 7.593 -11.830 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.511 -9.150 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.069 -9.964 3.738 1.00 0.00 H new ATOM 1211 N GLU A 82 9.336 -9.099 4.840 1.00 0.00 N ATOM 1212 CA GLU A 82 10.305 -8.131 4.329 1.00 0.00 C ATOM 1213 C GLU A 82 9.632 -7.137 3.393 1.00 0.00 C ATOM 1214 O GLU A 82 10.278 -6.537 2.533 1.00 0.00 O ATOM 1215 CB GLU A 82 11.475 -8.820 3.625 1.00 0.00 C ATOM 1216 CG GLU A 82 12.342 -9.643 4.557 1.00 0.00 C ATOM 1217 CD GLU A 82 13.575 -10.185 3.871 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.472 -11.229 3.197 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.652 -9.565 3.999 1.00 0.00 O ATOM 0 H GLU A 82 9.157 -9.008 5.840 1.00 0.00 H new ATOM 0 HA GLU A 82 10.706 -7.589 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.086 -9.466 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.093 -8.064 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.643 -9.029 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.757 -10.472 4.955 1.00 0.00 H new ATOM 1226 N VAL A 83 8.331 -6.954 3.577 1.00 0.00 N ATOM 1227 CA VAL A 83 7.583 -5.980 2.801 1.00 0.00 C ATOM 1228 C VAL A 83 6.997 -4.910 3.710 1.00 0.00 C ATOM 1229 O VAL A 83 6.573 -5.193 4.838 1.00 0.00 O ATOM 1230 CB VAL A 83 6.443 -6.624 1.968 1.00 0.00 C ATOM 1231 CG1 VAL A 83 7.010 -7.599 0.948 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.414 -7.313 2.862 1.00 0.00 C ATOM 0 H VAL A 83 7.773 -7.469 4.258 1.00 0.00 H new ATOM 0 HA VAL A 83 8.292 -5.532 2.104 1.00 0.00 H new ATOM 0 HB VAL A 83 5.930 -5.824 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.195 -8.040 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.684 -7.070 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.558 -8.387 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.631 -7.752 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.902 -8.097 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.974 -6.582 3.540 1.00 0.00 H new ATOM 1242 N MET A 84 7.017 -3.680 3.228 1.00 0.00 N ATOM 1243 CA MET A 84 6.383 -2.573 3.920 1.00 0.00 C ATOM 1244 C MET A 84 5.035 -2.292 3.278 1.00 0.00 C ATOM 1245 O MET A 84 4.907 -2.333 2.056 1.00 0.00 O ATOM 1246 CB MET A 84 7.271 -1.326 3.849 1.00 0.00 C ATOM 1247 CG MET A 84 6.712 -0.125 4.597 1.00 0.00 C ATOM 1248 SD MET A 84 7.814 1.304 4.541 1.00 0.00 S ATOM 1249 CE MET A 84 7.925 1.582 2.774 1.00 0.00 C ATOM 0 H MET A 84 7.470 -3.422 2.351 1.00 0.00 H new ATOM 0 HA MET A 84 6.240 -2.835 4.968 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.253 -1.569 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.416 -1.055 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.747 0.148 4.169 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.533 -0.400 5.636 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.959 2.653 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.830 1.112 2.388 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.054 1.150 2.282 1.00 0.00 H new ATOM 1259 N PHE A 85 4.026 -2.037 4.090 1.00 0.00 N ATOM 1260 CA PHE A 85 2.712 -1.715 3.568 1.00 0.00 C ATOM 1261 C PHE A 85 2.163 -0.481 4.259 1.00 0.00 C ATOM 1262 O PHE A 85 2.424 -0.256 5.441 1.00 0.00 O ATOM 1263 CB PHE A 85 1.749 -2.903 3.727 1.00 0.00 C ATOM 1264 CG PHE A 85 1.552 -3.378 5.146 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.584 -2.805 5.958 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.324 -4.409 5.661 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.395 -3.246 7.254 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.138 -4.853 6.958 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.173 -4.271 7.754 1.00 0.00 C ATOM 0 H PHE A 85 4.091 -2.046 5.108 1.00 0.00 H new ATOM 0 HA PHE A 85 2.807 -1.505 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.779 -2.623 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 85 2.121 -3.735 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.030 -2.004 5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.079 -4.871 5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.361 -2.789 7.875 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.748 -5.655 7.347 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.026 -4.617 8.767 1.00 0.00 H new ATOM 1279 N ASP A 86 1.422 0.326 3.515 1.00 0.00 N ATOM 1280 CA ASP A 86 0.806 1.513 4.077 1.00 0.00 C ATOM 1281 C ASP A 86 -0.266 1.102 5.069 1.00 0.00 C ATOM 1282 O ASP A 86 -1.028 0.164 4.828 1.00 0.00 O ATOM 1283 CB ASP A 86 0.213 2.402 2.980 1.00 0.00 C ATOM 1284 CG ASP A 86 -0.865 1.709 2.176 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -0.521 0.958 1.238 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.061 1.924 2.465 1.00 0.00 O ATOM 0 H ASP A 86 1.234 0.179 2.523 1.00 0.00 H new ATOM 0 HA ASP A 86 1.571 2.095 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.202 3.302 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.010 2.722 2.309 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.305 1.787 6.191 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.196 1.419 7.271 1.00 0.00 C ATOM 1293 C LEU A 87 -1.782 2.678 7.904 1.00 0.00 C ATOM 1294 O LEU A 87 -2.240 2.663 9.039 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.409 0.586 8.293 1.00 0.00 C ATOM 1296 CG LEU A 87 -1.229 -0.079 9.397 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -2.344 -0.929 8.807 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -0.330 -0.926 10.283 1.00 0.00 C ATOM 0 H LEU A 87 0.273 2.606 6.380 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.027 0.820 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.135 -0.191 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.335 1.231 8.760 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.684 0.704 10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.914 -1.392 9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.005 -0.300 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.914 -1.705 8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.927 -1.394 11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.150 -1.698 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.433 -0.294 10.738 1.00 0.00 H new ATOM 1310 N SER A 88 -1.805 3.753 7.124 1.00 0.00 N ATOM 1311 CA SER A 88 -2.212 5.068 7.609 1.00 0.00 C ATOM 1312 C SER A 88 -3.662 5.068 8.097 1.00 0.00 C ATOM 1313 O SER A 88 -4.005 5.765 9.053 1.00 0.00 O ATOM 1314 CB SER A 88 -2.027 6.106 6.497 1.00 0.00 C ATOM 1315 OG SER A 88 -2.293 7.419 6.959 1.00 0.00 O ATOM 0 H SER A 88 -1.542 3.738 6.138 1.00 0.00 H new ATOM 0 HA SER A 88 -1.581 5.325 8.460 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.007 6.054 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.691 5.871 5.665 1.00 0.00 H new ATOM 0 HG SER A 88 -2.164 8.056 6.226 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.512 4.273 7.456 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.925 4.216 7.829 1.00 0.00 C ATOM 1323 C ASP A 89 -6.122 3.557 9.190 1.00 0.00 C ATOM 1324 O ASP A 89 -7.161 3.733 9.827 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.746 3.470 6.773 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.267 4.386 5.684 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -8.200 5.169 5.956 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -6.749 4.333 4.550 1.00 0.00 O ATOM 0 H ASP A 89 -4.252 3.663 6.681 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.277 5.246 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.130 2.691 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.587 2.972 7.257 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.125 2.807 9.640 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.221 2.095 10.909 1.00 0.00 C ATOM 1335 C ARG A 90 -4.004 2.381 11.780 1.00 0.00 C ATOM 1336 O ARG A 90 -3.750 1.664 12.746 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.323 0.585 10.668 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.437 0.184 9.717 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.466 -1.321 9.498 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.388 -1.701 8.429 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.440 -2.914 7.880 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -6.685 -3.900 8.355 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.263 -3.146 6.865 1.00 0.00 N ATOM 0 H ARG A 90 -4.242 2.675 9.147 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.118 2.443 11.421 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.374 0.226 10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.478 0.085 11.624 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.396 0.513 10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.301 0.690 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.463 -1.671 9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.760 -1.816 10.423 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.033 -0.992 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.061 -3.730 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.729 -4.826 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.854 -2.396 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.304 -4.074 6.444 1.00 0.00 H new ATOM 1357 N MET A 91 -3.263 3.436 11.445 1.00 0.00 N ATOM 1358 CA MET A 91 -1.986 3.720 12.103 1.00 0.00 C ATOM 1359 C MET A 91 -2.184 4.126 13.557 1.00 0.00 C ATOM 1360 O MET A 91 -3.297 4.442 13.985 1.00 0.00 O ATOM 1361 CB MET A 91 -1.209 4.816 11.360 1.00 0.00 C ATOM 1362 CG MET A 91 -1.869 6.184 11.407 1.00 0.00 C ATOM 1363 SD MET A 91 -0.827 7.486 10.716 1.00 0.00 S ATOM 1364 CE MET A 91 0.560 7.442 11.851 1.00 0.00 C ATOM 0 H MET A 91 -3.523 4.108 10.723 1.00 0.00 H new ATOM 0 HA MET A 91 -1.405 2.798 12.078 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.209 4.892 11.788 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.088 4.518 10.318 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.810 6.148 10.858 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.113 6.430 12.441 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.865 8.460 12.093 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.266 6.925 12.764 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.393 6.914 11.387 1.00 0.00 H new ATOM 1374 N THR A 92 -1.100 4.109 14.311 1.00 0.00 N ATOM 1375 CA THR A 92 -1.142 4.455 15.712 1.00 0.00 C ATOM 1376 C THR A 92 -1.052 5.966 15.906 1.00 0.00 C ATOM 1377 O THR A 92 -0.246 6.640 15.264 1.00 0.00 O ATOM 1378 CB THR A 92 -0.007 3.757 16.485 1.00 0.00 C ATOM 1379 OG1 THR A 92 1.264 4.034 15.880 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.234 2.254 16.532 1.00 0.00 C ATOM 0 H THR A 92 -0.173 3.856 13.968 1.00 0.00 H new ATOM 0 HA THR A 92 -2.098 4.111 16.108 1.00 0.00 H new ATOM 0 HB THR A 92 -0.007 4.147 17.503 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.385 3.459 15.095 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.579 1.780 17.082 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.180 2.044 17.031 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.263 1.859 15.517 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.913 6.522 16.769 1.00 0.00 N ATOM 1389 CA PRO A 93 -1.891 7.947 17.086 1.00 0.00 C ATOM 1390 C PRO A 93 -0.712 8.313 17.982 1.00 0.00 C ATOM 1391 O PRO A 93 -0.613 7.836 19.112 1.00 0.00 O ATOM 1392 CB PRO A 93 -3.215 8.167 17.821 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.537 6.846 18.430 1.00 0.00 C ATOM 1394 CD PRO A 93 -2.977 5.805 17.498 1.00 0.00 C ATOM 0 HA PRO A 93 -1.779 8.567 16.196 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.121 8.941 18.583 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.999 8.488 17.136 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.096 6.757 19.423 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.614 6.724 18.548 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.581 4.950 18.045 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.740 5.424 16.819 1.00 0.00 H new ATOM 1402 N HIS A 94 0.190 9.139 17.462 1.00 0.00 N ATOM 1403 CA HIS A 94 1.340 9.598 18.237 1.00 0.00 C ATOM 1404 C HIS A 94 0.872 10.384 19.463 1.00 0.00 C ATOM 1405 O HIS A 94 0.427 11.529 19.364 1.00 0.00 O ATOM 1406 CB HIS A 94 2.323 10.411 17.368 1.00 0.00 C ATOM 1407 CG HIS A 94 1.758 11.642 16.712 1.00 0.00 C ATOM 1408 ND1 HIS A 94 0.531 11.906 16.201 1.00 0.00 N flip ATOM 1409 CD2 HIS A 94 2.504 12.776 16.496 1.00 0.00 C flip ATOM 1410 CE1 HIS A 94 0.562 13.181 15.695 1.00 0.00 C flip ATOM 1411 NE2 HIS A 94 1.767 13.681 15.887 1.00 0.00 N flip ATOM 0 H HIS A 94 0.148 9.504 16.510 1.00 0.00 H new ATOM 0 HA HIS A 94 1.889 8.724 18.588 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.167 10.709 17.991 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.717 9.757 16.590 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.537 12.905 16.782 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.263 13.690 15.219 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.076 14.613 15.610 1.00 0.00 H new ATOM 1420 N ASN A 95 0.986 9.745 20.617 1.00 0.00 N ATOM 1421 CA ASN A 95 0.330 10.208 21.838 1.00 0.00 C ATOM 1422 C ASN A 95 1.174 11.206 22.625 1.00 0.00 C ATOM 1423 O ASN A 95 0.766 11.655 23.696 1.00 0.00 O ATOM 1424 CB ASN A 95 -0.012 9.003 22.723 1.00 0.00 C ATOM 1425 CG ASN A 95 1.218 8.309 23.294 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.321 8.417 22.758 1.00 0.00 O ATOM 1427 ND2 ASN A 95 1.031 7.567 24.372 1.00 0.00 N ATOM 0 H ASN A 95 1.533 8.893 20.737 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.578 10.731 21.538 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.649 9.332 23.544 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.589 8.285 22.140 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.815 7.062 24.785 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.103 7.500 24.790 1.00 0.00 H new ATOM 1434 N GLY A 96 2.340 11.559 22.111 1.00 0.00 N ATOM 1435 CA GLY A 96 3.186 12.496 22.817 1.00 0.00 C ATOM 1436 C GLY A 96 4.164 13.202 21.908 1.00 0.00 C ATOM 1437 O GLY A 96 4.221 12.906 20.714 1.00 0.00 O ATOM 0 H GLY A 96 2.714 11.217 21.226 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.562 13.237 23.317 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.737 11.967 23.594 1.00 0.00 H new ATOM 1441 N PRO A 97 4.925 14.166 22.448 1.00 0.00 N ATOM 1442 CA PRO A 97 5.969 14.867 21.702 1.00 0.00 C ATOM 1443 C PRO A 97 7.209 14.003 21.512 1.00 0.00 C ATOM 1444 O PRO A 97 7.757 13.457 22.472 1.00 0.00 O ATOM 1445 CB PRO A 97 6.284 16.075 22.585 1.00 0.00 C ATOM 1446 CG PRO A 97 5.951 15.633 23.967 1.00 0.00 C ATOM 1447 CD PRO A 97 4.812 14.657 23.835 1.00 0.00 C ATOM 0 HA PRO A 97 5.649 15.135 20.695 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.332 16.362 22.503 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.692 16.943 22.294 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.812 15.164 24.443 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.666 16.482 24.589 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.898 13.843 24.555 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.850 15.139 24.011 1.00 0.00 H new ATOM 1455 N ILE A 98 7.643 13.875 20.271 1.00 0.00 N ATOM 1456 CA ILE A 98 8.796 13.056 19.949 1.00 0.00 C ATOM 1457 C ILE A 98 9.913 13.910 19.357 1.00 0.00 C ATOM 1458 O ILE A 98 9.776 14.458 18.264 1.00 0.00 O ATOM 1459 CB ILE A 98 8.416 11.933 18.965 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.263 11.107 19.545 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.623 11.051 18.680 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.735 10.041 18.612 1.00 0.00 C ATOM 0 H ILE A 98 7.211 14.330 19.467 1.00 0.00 H new ATOM 0 HA ILE A 98 9.152 12.601 20.874 1.00 0.00 H new ATOM 0 HB ILE A 98 8.090 12.375 18.024 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.598 10.633 20.468 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.447 11.779 19.810 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.340 10.262 17.983 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.419 11.654 18.242 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.975 10.605 19.610 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.922 9.502 19.098 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.366 10.507 17.698 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.536 9.344 18.366 1.00 0.00 H new ATOM 1474 N PRO A 99 11.030 14.045 20.086 1.00 0.00 N ATOM 1475 CA PRO A 99 12.160 14.876 19.665 1.00 0.00 C ATOM 1476 C PRO A 99 12.913 14.292 18.472 1.00 0.00 C ATOM 1477 O PRO A 99 13.370 13.148 18.507 1.00 0.00 O ATOM 1478 CB PRO A 99 13.075 14.914 20.899 1.00 0.00 C ATOM 1479 CG PRO A 99 12.270 14.341 22.018 1.00 0.00 C ATOM 1480 CD PRO A 99 11.282 13.409 21.385 1.00 0.00 C ATOM 0 HA PRO A 99 11.823 15.859 19.336 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.982 14.333 20.732 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.387 15.934 21.124 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.908 13.811 22.725 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.762 15.128 22.575 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.688 12.404 21.272 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.371 13.321 21.977 1.00 0.00 H new ATOM 1488 N ARG A 100 13.023 15.083 17.413 1.00 0.00 N ATOM 1489 CA ARG A 100 13.811 14.710 16.246 1.00 0.00 C ATOM 1490 C ARG A 100 15.301 14.747 16.578 1.00 0.00 C ATOM 1491 O ARG A 100 15.893 15.819 16.699 1.00 0.00 O ATOM 1492 CB ARG A 100 13.504 15.660 15.080 1.00 0.00 C ATOM 1493 CG ARG A 100 14.463 15.532 13.904 1.00 0.00 C ATOM 1494 CD ARG A 100 14.302 14.212 13.173 1.00 0.00 C ATOM 1495 NE ARG A 100 13.119 14.195 12.319 1.00 0.00 N ATOM 1496 CZ ARG A 100 13.050 13.531 11.166 1.00 0.00 C ATOM 1497 NH1 ARG A 100 14.109 12.855 10.722 1.00 0.00 N ATOM 1498 NH2 ARG A 100 11.934 13.564 10.444 1.00 0.00 N ATOM 0 H ARG A 100 12.572 15.995 17.339 1.00 0.00 H new ATOM 0 HA ARG A 100 13.546 13.694 15.953 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.489 15.472 14.730 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.529 16.687 15.446 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.293 16.354 13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 100 15.488 15.624 14.262 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.188 14.024 12.567 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.235 13.402 13.900 1.00 0.00 H new ATOM 0 HE ARG A 100 12.299 14.721 12.622 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.972 12.846 11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.056 12.347 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.130 14.098 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.882 13.055 9.561 1.00 0.00 H new ATOM 1512 N TYR A 101 15.899 13.577 16.750 1.00 0.00 N ATOM 1513 CA TYR A 101 17.326 13.495 17.038 1.00 0.00 C ATOM 1514 C TYR A 101 18.140 13.416 15.753 1.00 0.00 C ATOM 1515 O TYR A 101 19.237 13.967 15.666 1.00 0.00 O ATOM 1516 CB TYR A 101 17.633 12.285 17.919 1.00 0.00 C ATOM 1517 CG TYR A 101 16.992 12.344 19.285 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.493 13.181 20.275 1.00 0.00 C ATOM 1519 CD2 TYR A 101 15.896 11.553 19.590 1.00 0.00 C ATOM 1520 CE1 TYR A 101 16.915 13.227 21.529 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.312 11.596 20.840 1.00 0.00 C ATOM 1522 CZ TYR A 101 15.826 12.431 21.805 1.00 0.00 C ATOM 1523 OH TYR A 101 15.246 12.470 23.051 1.00 0.00 O ATOM 0 H TYR A 101 15.423 12.676 16.696 1.00 0.00 H new ATOM 0 HA TYR A 101 17.606 14.402 17.573 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.297 11.382 17.409 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.713 12.200 18.039 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.348 13.805 20.061 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.492 10.892 18.837 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.315 13.883 22.288 1.00 0.00 H new ATOM 0 HE2 TYR A 101 14.455 10.977 21.060 1.00 0.00 H new ATOM 0 HH TYR A 101 14.489 11.849 23.079 1.00 0.00 H new ATOM 1533 N VAL A 102 17.603 12.726 14.759 1.00 0.00 N ATOM 1534 CA VAL A 102 18.284 12.578 13.482 1.00 0.00 C ATOM 1535 C VAL A 102 17.741 13.565 12.450 1.00 0.00 C ATOM 1536 O VAL A 102 18.274 14.694 12.383 1.00 0.00 O ATOM 1537 CB VAL A 102 18.193 11.129 12.946 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.122 10.218 13.734 1.00 0.00 C ATOM 1539 CG2 VAL A 102 16.763 10.607 13.013 1.00 0.00 C ATOM 1540 OXT VAL A 102 16.789 13.224 11.720 1.00 0.00 O ATOM 0 H VAL A 102 16.697 12.260 14.812 1.00 0.00 H new ATOM 0 HA VAL A 102 19.337 12.803 13.654 1.00 0.00 H new ATOM 0 HB VAL A 102 18.502 11.135 11.901 1.00 0.00 H new ATOM 0 HG11 VAL A 102 19.049 9.201 13.347 1.00 0.00 H new ATOM 0 HG12 VAL A 102 20.148 10.571 13.635 1.00 0.00 H new ATOM 0 HG13 VAL A 102 18.835 10.228 14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 102 16.730 9.587 12.630 1.00 0.00 H new ATOM 0 HG22 VAL A 102 16.420 10.617 14.048 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.115 11.243 12.409 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.413 -10.610 6.894 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.456 -6.874 20.385 1.00 0.00 ZN