USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0112 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.809 K(o=-0.81,f=-4.9!) USER MOD Single : A 5 HIS : no HE2:sc= -3.79 K(o=-3.8,f=-9.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 77:sc= -3.96 USER MOD Single : A 16 SER OG : rot 180:sc= -0.672 USER MOD Single : A 21 CYS SG : rot 165:sc= -0.476 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0666 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 34 GLN : amide:sc= -0.878! C(o=-0.88!,f=-2.3!) USER MOD Single : A 35 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 140:sc= 0.577 USER MOD Single : A 41 SER OG : rot 46:sc= 0.942 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.0863 (180deg=0.01) USER MOD Single : A 54 CYS SG : rot 35:sc= 0.353 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -108:sc= -1.97 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 99:sc= 1.23 USER MOD Single : A 67 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.14) USER MOD Single : A 84 THR OG1 : rot 34:sc= 0.889 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -17:sc= 0.211 USER MOD Single : A 96 TYR OH : rot -19:sc= 0.348 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.7 USER MOD Single : A 98 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.384 -21.064 -5.586 1.00 0.00 N ATOM 2 CA MET A 1 6.113 -19.897 -6.163 1.00 0.00 C ATOM 3 C MET A 1 5.627 -18.598 -5.516 1.00 0.00 C ATOM 4 O MET A 1 4.459 -18.447 -5.209 1.00 0.00 O ATOM 5 CB MET A 1 5.771 -19.916 -7.654 1.00 0.00 C ATOM 6 CG MET A 1 6.810 -20.752 -8.404 1.00 0.00 C ATOM 7 SD MET A 1 6.730 -20.369 -10.171 1.00 0.00 S ATOM 8 CE MET A 1 6.656 -22.073 -10.772 1.00 0.00 C ATOM 0 H1 MET A 1 5.221 -21.773 -6.329 1.00 0.00 H new ATOM 0 H2 MET A 1 5.952 -21.486 -4.824 1.00 0.00 H new ATOM 0 H3 MET A 1 4.470 -20.748 -5.203 1.00 0.00 H new ATOM 0 HA MET A 1 7.188 -19.954 -5.991 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.775 -20.333 -7.805 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.754 -18.900 -8.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.808 -20.541 -8.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.624 -21.814 -8.242 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.601 -22.073 -11.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.550 -22.610 -10.454 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.773 -22.565 -10.364 1.00 0.00 H new ATOM 20 N GLN A 2 6.517 -17.659 -5.307 1.00 0.00 N ATOM 21 CA GLN A 2 6.115 -16.365 -4.676 1.00 0.00 C ATOM 22 C GLN A 2 6.002 -15.269 -5.739 1.00 0.00 C ATOM 23 O GLN A 2 6.546 -15.383 -6.822 1.00 0.00 O ATOM 24 CB GLN A 2 7.237 -16.042 -3.690 1.00 0.00 C ATOM 25 CG GLN A 2 6.985 -16.775 -2.371 1.00 0.00 C ATOM 26 CD GLN A 2 5.893 -16.048 -1.583 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.046 -15.396 -2.160 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.880 -16.133 -0.282 1.00 0.00 N ATOM 0 H GLN A 2 7.506 -17.734 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 2 5.145 -16.429 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.199 -16.341 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.285 -14.967 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.683 -17.804 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.903 -16.818 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.592 -16.681 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.158 -15.651 0.253 1.00 0.00 H new ATOM 37 N ARG A 3 5.297 -14.209 -5.434 1.00 0.00 N ATOM 38 CA ARG A 3 5.138 -13.098 -6.419 1.00 0.00 C ATOM 39 C ARG A 3 6.026 -11.913 -6.030 1.00 0.00 C ATOM 40 O ARG A 3 6.080 -11.518 -4.879 1.00 0.00 O ATOM 41 CB ARG A 3 3.661 -12.709 -6.345 1.00 0.00 C ATOM 42 CG ARG A 3 2.805 -13.839 -6.920 1.00 0.00 C ATOM 43 CD ARG A 3 1.460 -13.274 -7.382 1.00 0.00 C ATOM 44 NE ARG A 3 0.674 -13.083 -6.131 1.00 0.00 N ATOM 45 CZ ARG A 3 -0.227 -12.141 -6.064 1.00 0.00 C ATOM 46 NH1 ARG A 3 0.127 -10.919 -5.770 1.00 0.00 N ATOM 47 NH2 ARG A 3 -1.481 -12.419 -6.293 1.00 0.00 N ATOM 0 H ARG A 3 4.823 -14.065 -4.542 1.00 0.00 H new ATOM 0 HA ARG A 3 5.430 -13.396 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.377 -12.514 -5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.488 -11.788 -6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.320 -14.311 -7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.648 -14.611 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 3 1.589 -12.332 -7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.957 -13.960 -8.064 1.00 0.00 H new ATOM 0 HE ARG A 3 0.840 -13.688 -5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.107 -10.701 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.577 -10.183 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.758 -13.373 -6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.185 -11.682 -6.240 1.00 0.00 H new ATOM 61 N VAL A 4 6.717 -11.344 -6.985 1.00 0.00 N ATOM 62 CA VAL A 4 7.602 -10.179 -6.682 1.00 0.00 C ATOM 63 C VAL A 4 6.798 -8.876 -6.746 1.00 0.00 C ATOM 64 O VAL A 4 5.756 -8.824 -7.374 1.00 0.00 O ATOM 65 CB VAL A 4 8.704 -10.207 -7.750 1.00 0.00 C ATOM 66 CG1 VAL A 4 8.091 -10.089 -9.150 1.00 0.00 C ATOM 67 CG2 VAL A 4 9.671 -9.041 -7.518 1.00 0.00 C ATOM 0 H VAL A 4 6.706 -11.636 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 4 8.027 -10.235 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 4 9.242 -11.152 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.884 -10.110 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.410 -10.923 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.543 -9.150 -9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.454 -9.061 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.127 -8.099 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.121 -9.133 -6.530 1.00 0.00 H new ATOM 77 N HIS A 5 7.281 -7.820 -6.143 1.00 0.00 N ATOM 78 CA HIS A 5 6.540 -6.519 -6.223 1.00 0.00 C ATOM 79 C HIS A 5 7.531 -5.377 -6.427 1.00 0.00 C ATOM 80 O HIS A 5 8.639 -5.398 -5.927 1.00 0.00 O ATOM 81 CB HIS A 5 5.783 -6.319 -4.903 1.00 0.00 C ATOM 82 CG HIS A 5 5.148 -7.609 -4.436 1.00 0.00 C ATOM 83 ND1 HIS A 5 4.288 -8.342 -5.237 1.00 0.00 N ATOM 84 CD2 HIS A 5 5.242 -8.303 -3.253 1.00 0.00 C ATOM 85 CE1 HIS A 5 3.900 -9.422 -4.535 1.00 0.00 C ATOM 86 NE2 HIS A 5 4.452 -9.447 -3.319 1.00 0.00 N ATOM 0 H HIS A 5 8.146 -7.798 -5.604 1.00 0.00 H new ATOM 0 HA HIS A 5 5.842 -6.531 -7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.469 -5.951 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.013 -5.558 -5.034 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.001 -8.106 -6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.838 -8.006 -2.403 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.224 -10.177 -4.909 1.00 0.00 H new ATOM 94 N THR A 6 7.125 -4.375 -7.151 1.00 0.00 N ATOM 95 CA THR A 6 8.012 -3.199 -7.400 1.00 0.00 C ATOM 96 C THR A 6 7.237 -1.923 -7.085 1.00 0.00 C ATOM 97 O THR A 6 6.258 -1.613 -7.739 1.00 0.00 O ATOM 98 CB THR A 6 8.361 -3.270 -8.887 1.00 0.00 C ATOM 99 OG1 THR A 6 8.978 -4.518 -9.167 1.00 0.00 O ATOM 100 CG2 THR A 6 9.319 -2.132 -9.241 1.00 0.00 C ATOM 0 H THR A 6 6.205 -4.317 -7.588 1.00 0.00 H new ATOM 0 HA THR A 6 8.911 -3.202 -6.783 1.00 0.00 H new ATOM 0 HB THR A 6 7.452 -3.174 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.201 -4.566 -10.120 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.568 -2.182 -10.301 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.843 -1.175 -9.025 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.230 -2.226 -8.650 1.00 0.00 H new ATOM 108 N ILE A 7 7.638 -1.200 -6.073 1.00 0.00 N ATOM 109 CA ILE A 7 6.901 0.027 -5.702 1.00 0.00 C ATOM 110 C ILE A 7 7.688 1.283 -6.101 1.00 0.00 C ATOM 111 O ILE A 7 8.789 1.519 -5.638 1.00 0.00 O ATOM 112 CB ILE A 7 6.708 -0.136 -4.167 1.00 0.00 C ATOM 113 CG1 ILE A 7 5.226 -0.002 -3.832 1.00 0.00 C ATOM 114 CG2 ILE A 7 7.526 0.867 -3.325 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.753 1.439 -4.070 1.00 0.00 C ATOM 0 H ILE A 7 8.447 -1.413 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 7 5.947 0.152 -6.214 1.00 0.00 H new ATOM 0 HB ILE A 7 7.082 -1.126 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.644 -0.689 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.055 -0.281 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.339 0.691 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.588 0.735 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.230 1.884 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.694 1.519 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.323 2.118 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.906 1.704 -5.116 1.00 0.00 H new ATOM 127 N THR A 8 7.100 2.103 -6.924 1.00 0.00 N ATOM 128 CA THR A 8 7.762 3.371 -7.319 1.00 0.00 C ATOM 129 C THR A 8 7.037 4.481 -6.573 1.00 0.00 C ATOM 130 O THR A 8 5.906 4.805 -6.887 1.00 0.00 O ATOM 131 CB THR A 8 7.552 3.492 -8.831 1.00 0.00 C ATOM 132 OG1 THR A 8 8.066 2.333 -9.471 1.00 0.00 O ATOM 133 CG2 THR A 8 8.279 4.733 -9.353 1.00 0.00 C ATOM 0 H THR A 8 6.183 1.946 -7.342 1.00 0.00 H new ATOM 0 HA THR A 8 8.826 3.417 -7.087 1.00 0.00 H new ATOM 0 HB THR A 8 6.487 3.584 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.931 2.407 -10.439 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.128 4.817 -10.429 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.883 5.621 -8.861 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.345 4.646 -9.142 1.00 0.00 H new ATOM 141 N ALA A 9 7.649 5.027 -5.556 1.00 0.00 N ATOM 142 CA ALA A 9 6.952 6.070 -4.759 1.00 0.00 C ATOM 143 C ALA A 9 7.737 7.372 -4.709 1.00 0.00 C ATOM 144 O ALA A 9 8.821 7.436 -4.161 1.00 0.00 O ATOM 145 CB ALA A 9 6.828 5.471 -3.358 1.00 0.00 C ATOM 0 H ALA A 9 8.593 4.797 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 9 5.988 6.324 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.322 6.180 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.252 4.547 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.822 5.258 -2.964 1.00 0.00 H new ATOM 151 N VAL A 10 7.170 8.420 -5.242 1.00 0.00 N ATOM 152 CA VAL A 10 7.848 9.740 -5.190 1.00 0.00 C ATOM 153 C VAL A 10 6.999 10.694 -4.379 1.00 0.00 C ATOM 154 O VAL A 10 5.808 10.831 -4.615 1.00 0.00 O ATOM 155 CB VAL A 10 7.948 10.258 -6.627 1.00 0.00 C ATOM 156 CG1 VAL A 10 8.682 11.618 -6.636 1.00 0.00 C ATOM 157 CG2 VAL A 10 8.713 9.248 -7.486 1.00 0.00 C ATOM 0 H VAL A 10 6.264 8.416 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 10 8.836 9.657 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 10 6.946 10.388 -7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.753 11.986 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.128 12.335 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.684 11.493 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.783 9.619 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.715 9.111 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.186 8.294 -7.482 1.00 0.00 H new ATOM 167 N THR A 11 7.597 11.384 -3.457 1.00 0.00 N ATOM 168 CA THR A 11 6.807 12.363 -2.686 1.00 0.00 C ATOM 169 C THR A 11 6.860 13.662 -3.446 1.00 0.00 C ATOM 170 O THR A 11 7.925 14.126 -3.823 1.00 0.00 O ATOM 171 CB THR A 11 7.435 12.543 -1.295 1.00 0.00 C ATOM 172 OG1 THR A 11 8.534 13.443 -1.371 1.00 0.00 O ATOM 173 CG2 THR A 11 7.907 11.200 -0.720 1.00 0.00 C ATOM 0 H THR A 11 8.584 11.313 -3.208 1.00 0.00 H new ATOM 0 HA THR A 11 5.777 12.030 -2.558 1.00 0.00 H new ATOM 0 HB THR A 11 6.672 12.951 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.200 14.362 -1.433 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.347 11.360 0.264 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.057 10.523 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.653 10.762 -1.383 1.00 0.00 H new ATOM 181 N GLU A 12 5.734 14.271 -3.637 1.00 0.00 N ATOM 182 CA GLU A 12 5.722 15.579 -4.344 1.00 0.00 C ATOM 183 C GLU A 12 6.442 16.615 -3.472 1.00 0.00 C ATOM 184 O GLU A 12 6.786 17.680 -3.954 1.00 0.00 O ATOM 185 CB GLU A 12 4.248 15.935 -4.539 1.00 0.00 C ATOM 186 CG GLU A 12 3.724 15.252 -5.804 1.00 0.00 C ATOM 187 CD GLU A 12 4.424 15.838 -7.031 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.053 16.929 -7.436 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.319 15.188 -7.546 1.00 0.00 O ATOM 0 H GLU A 12 4.822 13.926 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 12 6.233 15.549 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.668 15.616 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.131 17.016 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.902 14.178 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.646 15.393 -5.886 1.00 0.00 H new ATOM 196 N ASP A 13 6.815 16.274 -2.244 1.00 0.00 N ATOM 197 CA ASP A 13 7.664 17.211 -1.458 1.00 0.00 C ATOM 198 C ASP A 13 8.986 17.354 -2.248 1.00 0.00 C ATOM 199 O ASP A 13 9.579 18.414 -2.297 1.00 0.00 O ATOM 200 CB ASP A 13 7.900 16.531 -0.107 1.00 0.00 C ATOM 201 CG ASP A 13 8.193 17.593 0.955 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.518 18.609 0.950 1.00 0.00 O ATOM 203 OD2 ASP A 13 9.088 17.371 1.754 1.00 0.00 O ATOM 0 H ASP A 13 6.567 15.404 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 13 7.224 18.196 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.023 15.949 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.735 15.834 -0.180 1.00 0.00 H new ATOM 208 N GLY A 14 9.408 16.287 -2.931 1.00 0.00 N ATOM 209 CA GLY A 14 10.633 16.379 -3.781 1.00 0.00 C ATOM 210 C GLY A 14 11.511 15.108 -3.781 1.00 0.00 C ATOM 211 O GLY A 14 12.592 15.138 -4.340 1.00 0.00 O ATOM 0 H GLY A 14 8.951 15.375 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.333 16.598 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.235 17.221 -3.439 1.00 0.00 H new ATOM 215 N GLU A 15 11.092 14.001 -3.201 1.00 0.00 N ATOM 216 CA GLU A 15 11.980 12.778 -3.246 1.00 0.00 C ATOM 217 C GLU A 15 11.359 11.689 -4.125 1.00 0.00 C ATOM 218 O GLU A 15 10.153 11.565 -4.213 1.00 0.00 O ATOM 219 CB GLU A 15 12.175 12.305 -1.802 1.00 0.00 C ATOM 220 CG GLU A 15 10.860 11.792 -1.207 1.00 0.00 C ATOM 221 CD GLU A 15 10.589 12.487 0.132 1.00 0.00 C ATOM 222 OE1 GLU A 15 10.514 13.703 0.141 1.00 0.00 O ATOM 223 OE2 GLU A 15 10.460 11.787 1.123 1.00 0.00 O ATOM 0 H GLU A 15 10.204 13.888 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 15 12.947 13.014 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.924 11.513 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.556 13.126 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.039 11.982 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.912 10.713 -1.063 1.00 0.00 H new ATOM 230 N SER A 16 12.183 10.918 -4.793 1.00 0.00 N ATOM 231 CA SER A 16 11.654 9.849 -5.705 1.00 0.00 C ATOM 232 C SER A 16 12.472 8.555 -5.596 1.00 0.00 C ATOM 233 O SER A 16 13.685 8.581 -5.691 1.00 0.00 O ATOM 234 CB SER A 16 11.822 10.421 -7.124 1.00 0.00 C ATOM 235 OG SER A 16 11.760 11.843 -7.097 1.00 0.00 O ATOM 0 H SER A 16 13.200 10.981 -4.748 1.00 0.00 H new ATOM 0 HA SER A 16 10.623 9.600 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.776 10.100 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.041 10.029 -7.776 1.00 0.00 H new ATOM 0 HG SER A 16 11.870 12.193 -8.006 1.00 0.00 H new ATOM 241 N LEU A 17 11.825 7.431 -5.354 1.00 0.00 N ATOM 242 CA LEU A 17 12.602 6.159 -5.193 1.00 0.00 C ATOM 243 C LEU A 17 11.828 4.933 -5.657 1.00 0.00 C ATOM 244 O LEU A 17 10.619 4.855 -5.549 1.00 0.00 O ATOM 245 CB LEU A 17 12.812 6.046 -3.683 1.00 0.00 C ATOM 246 CG LEU A 17 13.685 4.848 -3.313 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.038 4.931 -4.028 1.00 0.00 C ATOM 248 CD2 LEU A 17 13.923 4.872 -1.800 1.00 0.00 C ATOM 0 H LEU A 17 10.813 7.343 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 17 13.517 6.191 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.276 6.960 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.845 5.956 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 17 13.182 3.929 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.648 4.070 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.880 4.935 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.550 5.847 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.545 4.023 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.427 5.799 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.967 4.811 -1.280 1.00 0.00 H new ATOM 260 N ARG A 18 12.551 3.950 -6.107 1.00 0.00 N ATOM 261 CA ARG A 18 11.935 2.672 -6.515 1.00 0.00 C ATOM 262 C ARG A 18 12.418 1.614 -5.526 1.00 0.00 C ATOM 263 O ARG A 18 13.579 1.248 -5.523 1.00 0.00 O ATOM 264 CB ARG A 18 12.459 2.391 -7.924 1.00 0.00 C ATOM 265 CG ARG A 18 11.746 1.166 -8.501 1.00 0.00 C ATOM 266 CD ARG A 18 12.177 0.961 -9.954 1.00 0.00 C ATOM 267 NE ARG A 18 13.427 0.155 -9.875 1.00 0.00 N ATOM 268 CZ ARG A 18 13.384 -1.136 -10.070 1.00 0.00 C ATOM 269 NH1 ARG A 18 13.221 -1.607 -11.276 1.00 0.00 N ATOM 270 NH2 ARG A 18 13.506 -1.952 -9.061 1.00 0.00 N ATOM 0 H ARG A 18 13.565 3.985 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 18 10.845 2.683 -6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.292 3.257 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.535 2.218 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.986 0.281 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.666 1.302 -8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.407 0.441 -10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.353 1.915 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 18 14.316 0.611 -9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.127 -0.967 -12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.187 -2.615 -11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.635 -1.583 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.472 -2.960 -9.213 1.00 0.00 H new ATOM 284 N PHE A 19 11.545 1.121 -4.692 1.00 0.00 N ATOM 285 CA PHE A 19 11.976 0.076 -3.706 1.00 0.00 C ATOM 286 C PHE A 19 11.599 -1.302 -4.264 1.00 0.00 C ATOM 287 O PHE A 19 10.758 -1.418 -5.135 1.00 0.00 O ATOM 288 CB PHE A 19 11.177 0.268 -2.415 1.00 0.00 C ATOM 289 CG PHE A 19 11.074 1.721 -1.972 1.00 0.00 C ATOM 290 CD1 PHE A 19 10.185 2.603 -2.614 1.00 0.00 C ATOM 291 CD2 PHE A 19 11.828 2.172 -0.886 1.00 0.00 C ATOM 292 CE1 PHE A 19 10.067 3.925 -2.172 1.00 0.00 C ATOM 293 CE2 PHE A 19 11.699 3.493 -0.442 1.00 0.00 C ATOM 294 CZ PHE A 19 10.823 4.370 -1.086 1.00 0.00 C ATOM 0 H PHE A 19 10.562 1.389 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 19 13.048 0.154 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 19 10.173 -0.132 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.643 -0.313 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.593 2.259 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.512 1.500 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.390 4.602 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.279 3.836 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.731 5.390 -0.744 1.00 0.00 H new ATOM 304 N GLU A 20 12.186 -2.343 -3.744 1.00 0.00 N ATOM 305 CA GLU A 20 11.857 -3.717 -4.189 1.00 0.00 C ATOM 306 C GLU A 20 11.440 -4.514 -2.970 1.00 0.00 C ATOM 307 O GLU A 20 12.024 -4.416 -1.911 1.00 0.00 O ATOM 308 CB GLU A 20 13.142 -4.300 -4.687 1.00 0.00 C ATOM 309 CG GLU A 20 13.771 -3.417 -5.774 1.00 0.00 C ATOM 310 CD GLU A 20 14.886 -4.193 -6.482 1.00 0.00 C ATOM 311 OE1 GLU A 20 15.638 -4.867 -5.796 1.00 0.00 O ATOM 312 OE2 GLU A 20 14.966 -4.102 -7.694 1.00 0.00 O ATOM 0 H GLU A 20 12.895 -2.293 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 20 11.070 -3.729 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.839 -4.411 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.961 -5.298 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.012 -3.112 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.173 -2.506 -5.330 1.00 0.00 H new ATOM 319 N CYS A 21 10.439 -5.306 -3.128 1.00 0.00 N ATOM 320 CA CYS A 21 9.950 -6.155 -2.002 1.00 0.00 C ATOM 321 C CYS A 21 9.051 -7.277 -2.527 1.00 0.00 C ATOM 322 O CYS A 21 8.223 -7.062 -3.390 1.00 0.00 O ATOM 323 CB CYS A 21 9.163 -5.206 -1.101 1.00 0.00 C ATOM 324 SG CYS A 21 7.805 -4.429 -2.029 1.00 0.00 S ATOM 0 H CYS A 21 9.921 -5.412 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 21 10.768 -6.637 -1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.762 -5.753 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.826 -4.438 -0.704 1.00 0.00 H new ATOM 0 HG CYS A 21 6.970 -3.879 -1.198 1.00 0.00 H new ATOM 330 N ARG A 22 9.193 -8.465 -2.000 1.00 0.00 N ATOM 331 CA ARG A 22 8.348 -9.586 -2.432 1.00 0.00 C ATOM 332 C ARG A 22 7.369 -9.909 -1.310 1.00 0.00 C ATOM 333 O ARG A 22 7.618 -9.592 -0.167 1.00 0.00 O ATOM 334 CB ARG A 22 9.314 -10.733 -2.610 1.00 0.00 C ATOM 335 CG ARG A 22 10.365 -10.397 -3.675 1.00 0.00 C ATOM 336 CD ARG A 22 11.714 -10.992 -3.268 1.00 0.00 C ATOM 337 NE ARG A 22 12.441 -11.209 -4.548 1.00 0.00 N ATOM 338 CZ ARG A 22 13.218 -12.249 -4.689 1.00 0.00 C ATOM 339 NH1 ARG A 22 14.357 -12.304 -4.054 1.00 0.00 N ATOM 340 NH2 ARG A 22 12.854 -13.234 -5.464 1.00 0.00 N ATOM 0 H ARG A 22 9.874 -8.697 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 22 7.779 -9.379 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.806 -10.951 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.770 -11.632 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.058 -10.794 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.451 -9.316 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.262 -10.315 -2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.585 -11.928 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 22 12.332 -10.546 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.640 -11.535 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.964 -13.117 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.963 -13.191 -5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.460 -14.047 -5.575 1.00 0.00 H new ATOM 354 N SER A 23 6.267 -10.522 -1.637 1.00 0.00 N ATOM 355 CA SER A 23 5.222 -10.876 -0.613 1.00 0.00 C ATOM 356 C SER A 23 4.687 -9.609 0.077 1.00 0.00 C ATOM 357 O SER A 23 3.587 -9.165 -0.192 1.00 0.00 O ATOM 358 CB SER A 23 5.899 -11.824 0.392 1.00 0.00 C ATOM 359 OG SER A 23 5.223 -11.757 1.644 1.00 0.00 O ATOM 0 H SER A 23 6.034 -10.802 -2.590 1.00 0.00 H new ATOM 0 HA SER A 23 4.361 -11.360 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.881 -12.846 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.946 -11.549 0.518 1.00 0.00 H new ATOM 0 HG SER A 23 5.655 -12.363 2.282 1.00 0.00 H new ATOM 365 N ASP A 24 5.462 -9.025 0.951 1.00 0.00 N ATOM 366 CA ASP A 24 5.022 -7.784 1.654 1.00 0.00 C ATOM 367 C ASP A 24 5.267 -6.571 0.753 1.00 0.00 C ATOM 368 O ASP A 24 6.385 -6.119 0.597 1.00 0.00 O ATOM 369 CB ASP A 24 5.892 -7.707 2.909 1.00 0.00 C ATOM 370 CG ASP A 24 5.213 -8.469 4.048 1.00 0.00 C ATOM 371 OD1 ASP A 24 4.169 -8.023 4.494 1.00 0.00 O ATOM 372 OD2 ASP A 24 5.749 -9.486 4.456 1.00 0.00 O ATOM 0 H ASP A 24 6.391 -9.358 1.211 1.00 0.00 H new ATOM 0 HA ASP A 24 3.961 -7.796 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.876 -8.132 2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.046 -6.666 3.194 1.00 0.00 H new ATOM 377 N GLU A 25 4.229 -6.058 0.150 1.00 0.00 N ATOM 378 CA GLU A 25 4.388 -4.886 -0.762 1.00 0.00 C ATOM 379 C GLU A 25 4.678 -3.604 0.018 1.00 0.00 C ATOM 380 O GLU A 25 5.712 -2.997 -0.173 1.00 0.00 O ATOM 381 CB GLU A 25 3.055 -4.760 -1.495 1.00 0.00 C ATOM 382 CG GLU A 25 3.298 -4.231 -2.917 1.00 0.00 C ATOM 383 CD GLU A 25 2.461 -5.028 -3.919 1.00 0.00 C ATOM 384 OE1 GLU A 25 2.279 -6.216 -3.701 1.00 0.00 O ATOM 385 OE2 GLU A 25 2.019 -4.438 -4.889 1.00 0.00 O ATOM 0 H GLU A 25 3.273 -6.401 0.249 1.00 0.00 H new ATOM 0 HA GLU A 25 5.227 -5.031 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.558 -5.729 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.393 -4.085 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.037 -3.174 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.356 -4.311 -3.168 1.00 0.00 H new ATOM 392 N ASP A 26 3.754 -3.204 0.886 1.00 0.00 N ATOM 393 CA ASP A 26 3.863 -1.957 1.738 1.00 0.00 C ATOM 394 C ASP A 26 5.176 -1.197 1.542 1.00 0.00 C ATOM 395 O ASP A 26 6.236 -1.656 1.918 1.00 0.00 O ATOM 396 CB ASP A 26 3.767 -2.440 3.185 1.00 0.00 C ATOM 397 CG ASP A 26 2.566 -3.377 3.381 1.00 0.00 C ATOM 398 OD1 ASP A 26 1.507 -3.070 2.858 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.730 -4.385 4.048 1.00 0.00 O ATOM 0 H ASP A 26 2.888 -3.720 1.042 1.00 0.00 H new ATOM 0 HA ASP A 26 3.075 -1.257 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.685 -2.960 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.675 -1.583 3.852 1.00 0.00 H new ATOM 404 N VAL A 27 5.090 -0.015 1.007 1.00 0.00 N ATOM 405 CA VAL A 27 6.317 0.837 0.830 1.00 0.00 C ATOM 406 C VAL A 27 6.983 1.020 2.197 1.00 0.00 C ATOM 407 O VAL A 27 8.182 1.220 2.270 1.00 0.00 O ATOM 408 CB VAL A 27 5.818 2.201 0.288 1.00 0.00 C ATOM 409 CG1 VAL A 27 4.671 2.733 1.157 1.00 0.00 C ATOM 410 CG2 VAL A 27 6.960 3.237 0.305 1.00 0.00 C ATOM 0 H VAL A 27 4.222 0.409 0.680 1.00 0.00 H new ATOM 0 HA VAL A 27 7.042 0.391 0.149 1.00 0.00 H new ATOM 0 HB VAL A 27 5.471 2.048 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.331 3.691 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.845 2.022 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.021 2.864 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.593 4.189 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.315 3.370 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.780 2.885 -0.321 1.00 0.00 H new ATOM 420 N ILE A 28 6.243 0.920 3.272 1.00 0.00 N ATOM 421 CA ILE A 28 6.893 1.057 4.602 1.00 0.00 C ATOM 422 C ILE A 28 7.622 -0.246 4.906 1.00 0.00 C ATOM 423 O ILE A 28 8.823 -0.261 5.026 1.00 0.00 O ATOM 424 CB ILE A 28 5.760 1.323 5.598 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.015 2.604 5.205 1.00 0.00 C ATOM 426 CG2 ILE A 28 6.340 1.490 7.003 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.544 2.477 5.599 1.00 0.00 C ATOM 0 H ILE A 28 5.237 0.753 3.284 1.00 0.00 H new ATOM 0 HA ILE A 28 7.623 1.865 4.649 1.00 0.00 H new ATOM 0 HB ILE A 28 5.068 0.481 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.463 3.465 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.102 2.774 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.532 1.679 7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.867 0.580 7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.035 2.330 7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.013 3.387 5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.101 1.626 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.467 2.328 6.676 1.00 0.00 H new ATOM 439 N THR A 29 6.909 -1.340 5.035 1.00 0.00 N ATOM 440 CA THR A 29 7.582 -2.643 5.357 1.00 0.00 C ATOM 441 C THR A 29 8.698 -2.933 4.355 1.00 0.00 C ATOM 442 O THR A 29 9.814 -3.240 4.730 1.00 0.00 O ATOM 443 CB THR A 29 6.483 -3.703 5.252 1.00 0.00 C ATOM 444 OG1 THR A 29 5.330 -3.262 5.955 1.00 0.00 O ATOM 445 CG2 THR A 29 6.980 -5.016 5.860 1.00 0.00 C ATOM 0 H THR A 29 5.895 -1.389 4.932 1.00 0.00 H new ATOM 0 HA THR A 29 8.041 -2.628 6.346 1.00 0.00 H new ATOM 0 HB THR A 29 6.231 -3.861 4.203 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.626 -3.940 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.197 -5.771 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.864 -5.355 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.233 -4.859 6.908 1.00 0.00 H new ATOM 453 N ALA A 30 8.405 -2.832 3.090 1.00 0.00 N ATOM 454 CA ALA A 30 9.443 -3.094 2.050 1.00 0.00 C ATOM 455 C ALA A 30 10.646 -2.167 2.224 1.00 0.00 C ATOM 456 O ALA A 30 11.761 -2.620 2.402 1.00 0.00 O ATOM 457 CB ALA A 30 8.743 -2.794 0.727 1.00 0.00 C ATOM 0 H ALA A 30 7.486 -2.578 2.727 1.00 0.00 H new ATOM 0 HA ALA A 30 9.825 -4.113 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.436 -2.961 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.880 -3.451 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.412 -1.756 0.718 1.00 0.00 H new ATOM 463 N ALA A 31 10.434 -0.878 2.157 1.00 0.00 N ATOM 464 CA ALA A 31 11.577 0.071 2.297 1.00 0.00 C ATOM 465 C ALA A 31 12.055 0.113 3.747 1.00 0.00 C ATOM 466 O ALA A 31 13.146 0.588 3.999 1.00 0.00 O ATOM 467 CB ALA A 31 11.008 1.425 1.886 1.00 0.00 C ATOM 0 H ALA A 31 9.523 -0.444 2.012 1.00 0.00 H new ATOM 0 HA ALA A 31 12.434 -0.219 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.786 2.184 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.649 1.372 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.181 1.687 2.546 1.00 0.00 H new ATOM 473 N LEU A 32 11.360 -0.503 4.669 1.00 0.00 N ATOM 474 CA LEU A 32 11.912 -0.615 6.028 1.00 0.00 C ATOM 475 C LEU A 32 12.862 -1.827 6.010 1.00 0.00 C ATOM 476 O LEU A 32 13.865 -1.869 6.692 1.00 0.00 O ATOM 477 CB LEU A 32 10.712 -0.909 6.908 1.00 0.00 C ATOM 478 CG LEU A 32 10.076 0.383 7.361 1.00 0.00 C ATOM 479 CD1 LEU A 32 8.753 0.081 8.064 1.00 0.00 C ATOM 480 CD2 LEU A 32 11.011 1.114 8.324 1.00 0.00 C ATOM 0 H LEU A 32 10.442 -0.926 4.530 1.00 0.00 H new ATOM 0 HA LEU A 32 12.448 0.268 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.986 -1.509 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.020 -1.495 7.774 1.00 0.00 H new ATOM 0 HG LEU A 32 9.892 1.015 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.294 1.014 8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.083 -0.431 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.938 -0.555 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.545 2.045 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.203 0.484 9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.952 1.334 7.820 1.00 0.00 H new ATOM 492 N ARG A 33 12.525 -2.814 5.199 1.00 0.00 N ATOM 493 CA ARG A 33 13.353 -4.045 5.069 1.00 0.00 C ATOM 494 C ARG A 33 14.521 -3.818 4.106 1.00 0.00 C ATOM 495 O ARG A 33 15.550 -4.462 4.200 1.00 0.00 O ATOM 496 CB ARG A 33 12.397 -5.077 4.459 1.00 0.00 C ATOM 497 CG ARG A 33 12.747 -6.475 4.975 1.00 0.00 C ATOM 498 CD ARG A 33 12.329 -7.522 3.940 1.00 0.00 C ATOM 499 NE ARG A 33 11.007 -8.020 4.410 1.00 0.00 N ATOM 500 CZ ARG A 33 9.997 -8.070 3.585 1.00 0.00 C ATOM 501 NH1 ARG A 33 9.577 -6.979 3.003 1.00 0.00 N ATOM 502 NH2 ARG A 33 9.409 -9.208 3.340 1.00 0.00 N ATOM 0 H ARG A 33 11.690 -2.807 4.613 1.00 0.00 H new ATOM 0 HA ARG A 33 13.777 -4.352 6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.367 -4.831 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.466 -5.053 3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.818 -6.546 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.240 -6.662 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.255 -7.085 2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.057 -8.331 3.880 1.00 0.00 H new ATOM 0 HE ARG A 33 10.891 -8.322 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.038 -6.089 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.788 -7.016 2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.738 -10.060 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.620 -9.246 2.695 1.00 0.00 H new ATOM 516 N GLN A 34 14.368 -2.900 3.186 1.00 0.00 N ATOM 517 CA GLN A 34 15.464 -2.615 2.214 1.00 0.00 C ATOM 518 C GLN A 34 16.576 -1.818 2.899 1.00 0.00 C ATOM 519 O GLN A 34 17.728 -2.205 2.892 1.00 0.00 O ATOM 520 CB GLN A 34 14.822 -1.768 1.119 1.00 0.00 C ATOM 521 CG GLN A 34 13.943 -2.634 0.240 1.00 0.00 C ATOM 522 CD GLN A 34 14.811 -3.610 -0.526 1.00 0.00 C ATOM 523 OE1 GLN A 34 15.957 -3.331 -0.821 1.00 0.00 O ATOM 524 NE2 GLN A 34 14.311 -4.748 -0.863 1.00 0.00 N ATOM 0 H GLN A 34 13.528 -2.334 3.067 1.00 0.00 H new ATOM 0 HA GLN A 34 15.907 -3.530 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.229 -0.970 1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.595 -1.291 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.219 -3.174 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.376 -2.012 -0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.349 -4.977 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.877 -5.421 -1.380 1.00 0.00 H new ATOM 533 N ASN A 35 16.219 -0.699 3.494 1.00 0.00 N ATOM 534 CA ASN A 35 17.213 0.188 4.202 1.00 0.00 C ATOM 535 C ASN A 35 16.574 1.554 4.504 1.00 0.00 C ATOM 536 O ASN A 35 16.973 2.246 5.420 1.00 0.00 O ATOM 537 CB ASN A 35 18.409 0.386 3.247 1.00 0.00 C ATOM 538 CG ASN A 35 19.625 -0.376 3.781 1.00 0.00 C ATOM 539 OD1 ASN A 35 20.288 -1.078 3.043 1.00 0.00 O ATOM 540 ND2 ASN A 35 19.950 -0.265 5.040 1.00 0.00 N ATOM 0 H ASN A 35 15.259 -0.354 3.520 1.00 0.00 H new ATOM 0 HA ASN A 35 17.529 -0.264 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 35 18.153 0.029 2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 35 18.643 1.447 3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 35 20.760 -0.767 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 35 19.394 0.324 5.660 1.00 0.00 H new ATOM 547 N ILE A 36 15.588 1.942 3.732 1.00 0.00 N ATOM 548 CA ILE A 36 14.914 3.258 3.955 1.00 0.00 C ATOM 549 C ILE A 36 14.050 3.140 5.212 1.00 0.00 C ATOM 550 O ILE A 36 13.899 2.076 5.779 1.00 0.00 O ATOM 551 CB ILE A 36 14.019 3.464 2.716 1.00 0.00 C ATOM 552 CG1 ILE A 36 14.828 3.318 1.410 1.00 0.00 C ATOM 553 CG2 ILE A 36 13.389 4.857 2.759 1.00 0.00 C ATOM 554 CD1 ILE A 36 15.977 4.319 1.376 1.00 0.00 C ATOM 0 H ILE A 36 15.219 1.399 2.951 1.00 0.00 H new ATOM 0 HA ILE A 36 15.611 4.085 4.086 1.00 0.00 H new ATOM 0 HB ILE A 36 13.243 2.699 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.220 2.304 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.175 3.476 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.758 4.998 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.785 4.955 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.175 5.612 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.536 4.200 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.579 5.332 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.639 4.141 2.223 1.00 0.00 H new ATOM 566 N PHE A 37 13.497 4.239 5.659 1.00 0.00 N ATOM 567 CA PHE A 37 12.650 4.212 6.883 1.00 0.00 C ATOM 568 C PHE A 37 11.642 5.363 6.859 1.00 0.00 C ATOM 569 O PHE A 37 11.805 6.375 7.512 1.00 0.00 O ATOM 570 CB PHE A 37 13.630 4.402 8.047 1.00 0.00 C ATOM 571 CG PHE A 37 14.365 3.111 8.328 1.00 0.00 C ATOM 572 CD1 PHE A 37 13.797 2.153 9.177 1.00 0.00 C ATOM 573 CD2 PHE A 37 15.619 2.877 7.751 1.00 0.00 C ATOM 574 CE1 PHE A 37 14.480 0.961 9.445 1.00 0.00 C ATOM 575 CE2 PHE A 37 16.301 1.684 8.018 1.00 0.00 C ATOM 576 CZ PHE A 37 15.733 0.725 8.865 1.00 0.00 C ATOM 0 H PHE A 37 13.598 5.156 5.225 1.00 0.00 H new ATOM 0 HA PHE A 37 12.081 3.286 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 37 14.344 5.190 7.806 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.090 4.723 8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.831 2.334 9.625 1.00 0.00 H new ATOM 0 HD2 PHE A 37 16.060 3.617 7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 37 14.041 0.223 10.099 1.00 0.00 H new ATOM 0 HE2 PHE A 37 17.267 1.503 7.570 1.00 0.00 H new ATOM 0 HZ PHE A 37 16.260 -0.195 9.071 1.00 0.00 H new ATOM 586 N LEU A 38 10.615 5.211 6.059 1.00 0.00 N ATOM 587 CA LEU A 38 9.586 6.280 5.914 1.00 0.00 C ATOM 588 C LEU A 38 8.465 6.132 6.934 1.00 0.00 C ATOM 589 O LEU A 38 8.449 5.227 7.746 1.00 0.00 O ATOM 590 CB LEU A 38 9.026 6.161 4.495 1.00 0.00 C ATOM 591 CG LEU A 38 8.470 4.750 4.253 1.00 0.00 C ATOM 592 CD1 LEU A 38 7.041 4.839 3.708 1.00 0.00 C ATOM 593 CD2 LEU A 38 9.354 4.024 3.236 1.00 0.00 C ATOM 0 H LEU A 38 10.447 4.379 5.494 1.00 0.00 H new ATOM 0 HA LEU A 38 10.037 7.257 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.238 6.899 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.809 6.379 3.769 1.00 0.00 H new ATOM 0 HG LEU A 38 8.463 4.201 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.653 3.835 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.408 5.356 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.044 5.390 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.961 3.022 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.360 4.579 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.371 3.953 3.623 1.00 0.00 H new ATOM 605 N MET A 39 7.523 7.030 6.877 1.00 0.00 N ATOM 606 CA MET A 39 6.363 6.996 7.822 1.00 0.00 C ATOM 607 C MET A 39 5.368 8.097 7.451 1.00 0.00 C ATOM 608 O MET A 39 5.718 9.259 7.384 1.00 0.00 O ATOM 609 CB MET A 39 6.953 7.264 9.211 1.00 0.00 C ATOM 610 CG MET A 39 6.098 6.566 10.271 1.00 0.00 C ATOM 611 SD MET A 39 6.370 7.351 11.880 1.00 0.00 S ATOM 612 CE MET A 39 7.565 6.151 12.519 1.00 0.00 C ATOM 0 H MET A 39 7.504 7.799 6.207 1.00 0.00 H new ATOM 0 HA MET A 39 5.834 6.044 7.789 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.979 6.900 9.258 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.986 8.336 9.403 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.044 6.625 10.000 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.356 5.508 10.322 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.875 6.445 13.522 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.105 5.164 12.556 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.436 6.121 11.864 1.00 0.00 H new ATOM 622 N SER A 40 4.128 7.742 7.210 1.00 0.00 N ATOM 623 CA SER A 40 3.105 8.774 6.842 1.00 0.00 C ATOM 624 C SER A 40 3.033 9.859 7.931 1.00 0.00 C ATOM 625 O SER A 40 3.618 10.917 7.792 1.00 0.00 O ATOM 626 CB SER A 40 1.782 8.015 6.737 1.00 0.00 C ATOM 627 OG SER A 40 1.547 7.307 7.946 1.00 0.00 O ATOM 0 H SER A 40 3.780 6.784 7.252 1.00 0.00 H new ATOM 0 HA SER A 40 3.348 9.281 5.908 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.965 8.711 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.814 7.321 5.897 1.00 0.00 H new ATOM 0 HG SER A 40 0.598 7.368 8.181 1.00 0.00 H new ATOM 633 N SER A 41 2.334 9.602 9.012 1.00 0.00 N ATOM 634 CA SER A 41 2.244 10.619 10.104 1.00 0.00 C ATOM 635 C SER A 41 1.719 9.979 11.405 1.00 0.00 C ATOM 636 O SER A 41 2.494 9.509 12.218 1.00 0.00 O ATOM 637 CB SER A 41 1.291 11.691 9.569 1.00 0.00 C ATOM 638 OG SER A 41 2.050 12.776 9.050 1.00 0.00 O ATOM 0 H SER A 41 1.825 8.735 9.183 1.00 0.00 H new ATOM 0 HA SER A 41 3.215 11.044 10.358 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.654 11.272 8.790 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.633 12.040 10.365 1.00 0.00 H new ATOM 0 HG SER A 41 2.777 12.429 8.492 1.00 0.00 H new ATOM 644 N CYS A 42 0.419 9.958 11.617 1.00 0.00 N ATOM 645 CA CYS A 42 -0.130 9.354 12.874 1.00 0.00 C ATOM 646 C CYS A 42 -0.659 7.934 12.621 1.00 0.00 C ATOM 647 O CYS A 42 -0.758 7.132 13.529 1.00 0.00 O ATOM 648 CB CYS A 42 -1.265 10.291 13.320 1.00 0.00 C ATOM 649 SG CYS A 42 -2.586 10.332 12.075 1.00 0.00 S ATOM 0 H CYS A 42 -0.280 10.332 10.975 1.00 0.00 H new ATOM 0 HA CYS A 42 0.639 9.259 13.640 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.668 9.954 14.275 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.874 11.296 13.476 1.00 0.00 H new ATOM 655 N ARG A 43 -1.012 7.626 11.394 1.00 0.00 N ATOM 656 CA ARG A 43 -1.555 6.264 11.070 1.00 0.00 C ATOM 657 C ARG A 43 -2.807 5.982 11.911 1.00 0.00 C ATOM 658 O ARG A 43 -2.896 4.979 12.591 1.00 0.00 O ATOM 659 CB ARG A 43 -0.436 5.270 11.412 1.00 0.00 C ATOM 660 CG ARG A 43 -0.778 3.894 10.838 1.00 0.00 C ATOM 661 CD ARG A 43 0.135 2.838 11.465 1.00 0.00 C ATOM 662 NE ARG A 43 -0.561 1.541 11.233 1.00 0.00 N ATOM 663 CZ ARG A 43 -0.651 0.667 12.198 1.00 0.00 C ATOM 664 NH1 ARG A 43 0.426 0.094 12.665 1.00 0.00 N ATOM 665 NH2 ARG A 43 -1.818 0.366 12.698 1.00 0.00 N ATOM 0 H ARG A 43 -0.947 8.262 10.599 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.846 6.184 10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.512 5.620 11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.313 5.204 12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.822 3.653 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.655 3.899 9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.122 2.845 11.003 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.280 3.023 12.529 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.967 1.336 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.339 0.330 12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.354 -0.589 13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.659 0.814 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.889 -0.317 13.452 1.00 0.00 H new ATOM 679 N GLU A 44 -3.772 6.869 11.865 1.00 0.00 N ATOM 680 CA GLU A 44 -5.027 6.669 12.657 1.00 0.00 C ATOM 681 C GLU A 44 -6.277 6.772 11.765 1.00 0.00 C ATOM 682 O GLU A 44 -7.385 6.565 12.224 1.00 0.00 O ATOM 683 CB GLU A 44 -5.018 7.793 13.695 1.00 0.00 C ATOM 684 CG GLU A 44 -5.889 7.394 14.887 1.00 0.00 C ATOM 685 CD GLU A 44 -6.003 8.575 15.853 1.00 0.00 C ATOM 686 OE1 GLU A 44 -5.116 8.732 16.675 1.00 0.00 O ATOM 687 OE2 GLU A 44 -6.976 9.304 15.753 1.00 0.00 O ATOM 0 H GLU A 44 -3.744 7.725 11.311 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.061 5.679 13.112 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.998 7.989 14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.392 8.716 13.251 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.879 7.094 14.543 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.455 6.534 15.397 1.00 0.00 H new ATOM 694 N GLY A 45 -6.114 7.080 10.497 1.00 0.00 N ATOM 695 CA GLY A 45 -7.293 7.185 9.578 1.00 0.00 C ATOM 696 C GLY A 45 -8.339 8.160 10.137 1.00 0.00 C ATOM 697 O GLY A 45 -9.510 7.837 10.215 1.00 0.00 O ATOM 0 H GLY A 45 -5.211 7.263 10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.964 7.523 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.743 6.201 9.443 1.00 0.00 H new ATOM 701 N GLY A 46 -7.921 9.340 10.536 1.00 0.00 N ATOM 702 CA GLY A 46 -8.894 10.329 11.100 1.00 0.00 C ATOM 703 C GLY A 46 -8.487 11.784 10.785 1.00 0.00 C ATOM 704 O GLY A 46 -9.100 12.710 11.285 1.00 0.00 O ATOM 0 H GLY A 46 -6.953 9.659 10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.886 10.134 10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.961 10.197 12.180 1.00 0.00 H new ATOM 708 N CYS A 47 -7.458 12.008 9.995 1.00 0.00 N ATOM 709 CA CYS A 47 -7.030 13.419 9.701 1.00 0.00 C ATOM 710 C CYS A 47 -7.646 13.932 8.396 1.00 0.00 C ATOM 711 O CYS A 47 -8.120 15.050 8.322 1.00 0.00 O ATOM 712 CB CYS A 47 -5.507 13.373 9.547 1.00 0.00 C ATOM 713 SG CYS A 47 -4.737 12.671 11.026 1.00 0.00 S ATOM 0 H CYS A 47 -6.901 11.282 9.545 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.354 14.087 10.499 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.242 12.776 8.675 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.123 14.378 9.373 1.00 0.00 H new ATOM 719 N ALA A 48 -7.617 13.130 7.357 1.00 0.00 N ATOM 720 CA ALA A 48 -8.167 13.554 6.020 1.00 0.00 C ATOM 721 C ALA A 48 -7.310 14.673 5.395 1.00 0.00 C ATOM 722 O ALA A 48 -7.673 15.238 4.381 1.00 0.00 O ATOM 723 CB ALA A 48 -9.603 14.046 6.265 1.00 0.00 C ATOM 0 H ALA A 48 -7.231 12.186 7.375 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.153 12.719 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.044 14.365 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.198 13.237 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.586 14.886 6.960 1.00 0.00 H new ATOM 729 N THR A 49 -6.168 14.984 5.974 1.00 0.00 N ATOM 730 CA THR A 49 -5.287 16.044 5.391 1.00 0.00 C ATOM 731 C THR A 49 -4.211 15.379 4.528 1.00 0.00 C ATOM 732 O THR A 49 -3.864 15.850 3.463 1.00 0.00 O ATOM 733 CB THR A 49 -4.660 16.752 6.593 1.00 0.00 C ATOM 734 OG1 THR A 49 -5.688 17.208 7.460 1.00 0.00 O ATOM 735 CG2 THR A 49 -3.830 17.942 6.113 1.00 0.00 C ATOM 0 H THR A 49 -5.812 14.547 6.824 1.00 0.00 H new ATOM 0 HA THR A 49 -5.829 16.747 4.758 1.00 0.00 H new ATOM 0 HB THR A 49 -4.014 16.056 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.288 17.661 8.232 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.384 18.445 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.041 17.591 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.472 18.641 5.576 1.00 0.00 H new ATOM 743 N CYS A 50 -3.706 14.267 4.987 1.00 0.00 N ATOM 744 CA CYS A 50 -2.665 13.505 4.226 1.00 0.00 C ATOM 745 C CYS A 50 -3.294 12.855 2.985 1.00 0.00 C ATOM 746 O CYS A 50 -3.224 11.651 2.815 1.00 0.00 O ATOM 747 CB CYS A 50 -2.127 12.442 5.201 1.00 0.00 C ATOM 748 SG CYS A 50 -3.452 11.311 5.716 1.00 0.00 S ATOM 0 H CYS A 50 -3.974 13.843 5.875 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.861 14.149 3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.325 11.878 4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.697 12.929 6.076 1.00 0.00 H new ATOM 754 N LYS A 51 -3.914 13.626 2.119 1.00 0.00 N ATOM 755 CA LYS A 51 -4.544 13.031 0.902 1.00 0.00 C ATOM 756 C LYS A 51 -3.486 12.690 -0.149 1.00 0.00 C ATOM 757 O LYS A 51 -3.132 13.514 -0.972 1.00 0.00 O ATOM 758 CB LYS A 51 -5.495 14.107 0.376 1.00 0.00 C ATOM 759 CG LYS A 51 -6.863 13.959 1.049 1.00 0.00 C ATOM 760 CD LYS A 51 -7.946 14.540 0.138 1.00 0.00 C ATOM 761 CE LYS A 51 -8.015 16.057 0.328 1.00 0.00 C ATOM 762 NZ LYS A 51 -8.871 16.257 1.532 1.00 0.00 N ATOM 0 H LYS A 51 -4.009 14.638 2.205 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.064 12.101 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.086 15.097 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.599 14.017 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.069 12.908 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.865 14.475 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.726 14.303 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.911 14.090 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.022 16.482 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.444 16.545 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.147 17.257 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.724 15.667 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.340 15.986 2.384 1.00 0.00 H new ATOM 776 N ALA A 52 -2.946 11.503 -0.098 1.00 0.00 N ATOM 777 CA ALA A 52 -1.871 11.117 -1.063 1.00 0.00 C ATOM 778 C ALA A 52 -2.435 10.716 -2.429 1.00 0.00 C ATOM 779 O ALA A 52 -3.639 10.636 -2.581 1.00 0.00 O ATOM 780 CB ALA A 52 -1.155 9.932 -0.411 1.00 0.00 C ATOM 0 H ALA A 52 -3.203 10.779 0.573 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.203 11.956 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.350 9.591 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.740 10.241 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.864 9.119 -0.255 1.00 0.00 H new ATOM 786 N LEU A 53 -1.619 10.492 -3.433 1.00 0.00 N ATOM 787 CA LEU A 53 -2.185 10.131 -4.773 1.00 0.00 C ATOM 788 C LEU A 53 -1.605 8.807 -5.278 1.00 0.00 C ATOM 789 O LEU A 53 -0.523 8.405 -4.900 1.00 0.00 O ATOM 790 CB LEU A 53 -1.789 11.313 -5.661 1.00 0.00 C ATOM 791 CG LEU A 53 -2.026 11.006 -7.150 1.00 0.00 C ATOM 792 CD1 LEU A 53 -3.509 10.733 -7.409 1.00 0.00 C ATOM 793 CD2 LEU A 53 -1.581 12.206 -7.988 1.00 0.00 C ATOM 0 H LEU A 53 -0.601 10.542 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.263 9.973 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.364 12.193 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.738 11.553 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.451 10.122 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.660 10.518 -8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.831 9.878 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.094 11.609 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.747 11.994 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.158 13.085 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.521 12.396 -7.818 1.00 0.00 H new ATOM 805 N CYS A 54 -2.345 8.120 -6.117 1.00 0.00 N ATOM 806 CA CYS A 54 -1.873 6.816 -6.638 1.00 0.00 C ATOM 807 C CYS A 54 -1.747 6.820 -8.170 1.00 0.00 C ATOM 808 O CYS A 54 -2.718 7.037 -8.873 1.00 0.00 O ATOM 809 CB CYS A 54 -2.927 5.800 -6.182 1.00 0.00 C ATOM 810 SG CYS A 54 -4.576 6.238 -6.805 1.00 0.00 S ATOM 0 H CYS A 54 -3.259 8.416 -6.459 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.877 6.579 -6.263 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.654 4.806 -6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.947 5.757 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.466 6.780 -7.982 1.00 0.00 H new ATOM 816 N SER A 55 -0.568 6.612 -8.697 1.00 0.00 N ATOM 817 CA SER A 55 -0.408 6.636 -10.183 1.00 0.00 C ATOM 818 C SER A 55 -1.035 5.386 -10.804 1.00 0.00 C ATOM 819 O SER A 55 -1.970 5.479 -11.579 1.00 0.00 O ATOM 820 CB SER A 55 1.096 6.676 -10.430 1.00 0.00 C ATOM 821 OG SER A 55 1.486 8.011 -10.727 1.00 0.00 O ATOM 0 H SER A 55 0.285 6.428 -8.168 1.00 0.00 H new ATOM 0 HA SER A 55 -0.907 7.493 -10.636 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.631 6.315 -9.551 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.359 6.015 -11.256 1.00 0.00 H new ATOM 0 HG SER A 55 2.453 8.042 -10.885 1.00 0.00 H new ATOM 827 N GLU A 56 -0.531 4.223 -10.478 1.00 0.00 N ATOM 828 CA GLU A 56 -1.097 2.976 -11.055 1.00 0.00 C ATOM 829 C GLU A 56 -0.852 1.793 -10.122 1.00 0.00 C ATOM 830 O GLU A 56 -0.040 1.845 -9.219 1.00 0.00 O ATOM 831 CB GLU A 56 -0.353 2.765 -12.365 1.00 0.00 C ATOM 832 CG GLU A 56 -1.238 3.176 -13.544 1.00 0.00 C ATOM 833 CD GLU A 56 -2.035 1.963 -14.029 1.00 0.00 C ATOM 834 OE1 GLU A 56 -2.977 1.588 -13.351 1.00 0.00 O ATOM 835 OE2 GLU A 56 -1.690 1.431 -15.072 1.00 0.00 O ATOM 0 H GLU A 56 0.250 4.088 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.175 3.054 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.566 3.351 -12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.065 1.719 -12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.917 3.974 -13.243 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.624 3.569 -14.354 1.00 0.00 H new ATOM 842 N GLY A 57 -1.582 0.743 -10.338 1.00 0.00 N ATOM 843 CA GLY A 57 -1.458 -0.470 -9.479 1.00 0.00 C ATOM 844 C GLY A 57 -2.804 -0.698 -8.780 1.00 0.00 C ATOM 845 O GLY A 57 -3.559 0.224 -8.539 1.00 0.00 O ATOM 0 H GLY A 57 -2.273 0.668 -11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.190 -1.338 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.665 -0.336 -8.743 1.00 0.00 H new ATOM 849 N ASP A 58 -3.111 -1.932 -8.493 1.00 0.00 N ATOM 850 CA ASP A 58 -4.420 -2.276 -7.848 1.00 0.00 C ATOM 851 C ASP A 58 -4.359 -2.180 -6.315 1.00 0.00 C ATOM 852 O ASP A 58 -5.195 -2.733 -5.626 1.00 0.00 O ATOM 853 CB ASP A 58 -4.700 -3.716 -8.278 1.00 0.00 C ATOM 854 CG ASP A 58 -6.195 -3.888 -8.560 1.00 0.00 C ATOM 855 OD1 ASP A 58 -6.985 -3.554 -7.693 1.00 0.00 O ATOM 856 OD2 ASP A 58 -6.523 -4.353 -9.639 1.00 0.00 O ATOM 0 H ASP A 58 -2.505 -2.731 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.201 -1.580 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.122 -3.959 -9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.386 -4.407 -7.496 1.00 0.00 H new ATOM 861 N TYR A 59 -3.374 -1.508 -5.777 1.00 0.00 N ATOM 862 CA TYR A 59 -3.249 -1.401 -4.283 1.00 0.00 C ATOM 863 C TYR A 59 -4.541 -0.892 -3.637 1.00 0.00 C ATOM 864 O TYR A 59 -5.073 0.134 -4.021 1.00 0.00 O ATOM 865 CB TYR A 59 -2.134 -0.373 -4.050 1.00 0.00 C ATOM 866 CG TYR A 59 -1.181 -0.827 -2.977 1.00 0.00 C ATOM 867 CD1 TYR A 59 -0.453 -2.004 -3.140 1.00 0.00 C ATOM 868 CD2 TYR A 59 -0.986 -0.033 -1.843 1.00 0.00 C ATOM 869 CE1 TYR A 59 0.465 -2.395 -2.169 1.00 0.00 C ATOM 870 CE2 TYR A 59 -0.061 -0.421 -0.872 1.00 0.00 C ATOM 871 CZ TYR A 59 0.666 -1.602 -1.033 1.00 0.00 C ATOM 872 OH TYR A 59 1.580 -1.987 -0.075 1.00 0.00 O ATOM 0 H TYR A 59 -2.647 -1.026 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.040 -2.376 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.587 -0.211 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.573 0.584 -3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.601 -2.613 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.550 0.879 -1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.023 -3.311 -2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.092 0.192 0.004 1.00 0.00 H new ATOM 0 HH TYR A 59 1.105 -2.285 0.729 1.00 0.00 H new ATOM 882 N ASP A 60 -5.064 -1.620 -2.686 1.00 0.00 N ATOM 883 CA ASP A 60 -6.337 -1.212 -2.041 1.00 0.00 C ATOM 884 C ASP A 60 -6.068 -0.158 -0.984 1.00 0.00 C ATOM 885 O ASP A 60 -4.944 0.088 -0.609 1.00 0.00 O ATOM 886 CB ASP A 60 -6.905 -2.493 -1.408 1.00 0.00 C ATOM 887 CG ASP A 60 -8.265 -2.822 -2.033 1.00 0.00 C ATOM 888 OD1 ASP A 60 -9.261 -2.343 -1.519 1.00 0.00 O ATOM 889 OD2 ASP A 60 -8.283 -3.547 -3.014 1.00 0.00 O ATOM 0 H ASP A 60 -4.658 -2.485 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.039 -0.776 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.214 -3.322 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.012 -2.361 -0.331 1.00 0.00 H new ATOM 894 N LEU A 61 -7.103 0.465 -0.521 1.00 0.00 N ATOM 895 CA LEU A 61 -6.952 1.525 0.511 1.00 0.00 C ATOM 896 C LEU A 61 -8.156 1.541 1.454 1.00 0.00 C ATOM 897 O LEU A 61 -9.233 1.970 1.083 1.00 0.00 O ATOM 898 CB LEU A 61 -6.886 2.830 -0.280 1.00 0.00 C ATOM 899 CG LEU A 61 -6.660 3.996 0.680 1.00 0.00 C ATOM 900 CD1 LEU A 61 -5.175 4.079 1.031 1.00 0.00 C ATOM 901 CD2 LEU A 61 -7.114 5.294 0.011 1.00 0.00 C ATOM 0 H LEU A 61 -8.063 0.286 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.070 1.366 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.078 2.785 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.811 2.977 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.235 3.844 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.009 4.910 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.861 3.149 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.595 4.237 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.955 6.130 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.538 5.454 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.173 5.225 -0.237 1.00 0.00 H new ATOM 913 N LYS A 62 -7.985 1.075 2.662 1.00 0.00 N ATOM 914 CA LYS A 62 -9.125 1.060 3.623 1.00 0.00 C ATOM 915 C LYS A 62 -8.834 1.971 4.815 1.00 0.00 C ATOM 916 O LYS A 62 -7.975 1.686 5.627 1.00 0.00 O ATOM 917 CB LYS A 62 -9.246 -0.397 4.078 1.00 0.00 C ATOM 918 CG LYS A 62 -9.539 -1.294 2.869 1.00 0.00 C ATOM 919 CD LYS A 62 -10.899 -0.927 2.271 1.00 0.00 C ATOM 920 CE LYS A 62 -11.569 -2.185 1.709 1.00 0.00 C ATOM 921 NZ LYS A 62 -12.568 -2.581 2.739 1.00 0.00 N ATOM 0 H LYS A 62 -7.106 0.705 3.024 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.046 1.423 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.323 -0.714 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.043 -0.493 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.757 -1.176 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.535 -2.341 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.533 -0.475 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.773 -0.186 1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.048 -1.983 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.841 -2.978 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.069 -3.437 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.082 -2.774 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.252 -1.809 2.874 1.00 0.00 H new ATOM 935 N GLY A 63 -9.548 3.072 4.922 1.00 0.00 N ATOM 936 CA GLY A 63 -9.335 4.029 6.063 1.00 0.00 C ATOM 937 C GLY A 63 -9.299 3.249 7.383 1.00 0.00 C ATOM 938 O GLY A 63 -9.674 2.093 7.450 1.00 0.00 O ATOM 0 H GLY A 63 -10.275 3.351 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.402 4.575 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.136 4.768 6.086 1.00 0.00 H new ATOM 942 N CYS A 64 -8.871 3.897 8.434 1.00 0.00 N ATOM 943 CA CYS A 64 -8.828 3.235 9.767 1.00 0.00 C ATOM 944 C CYS A 64 -10.165 3.459 10.470 1.00 0.00 C ATOM 945 O CYS A 64 -10.784 2.531 10.958 1.00 0.00 O ATOM 946 CB CYS A 64 -7.694 3.927 10.522 1.00 0.00 C ATOM 947 SG CYS A 64 -7.031 2.801 11.776 1.00 0.00 S ATOM 0 H CYS A 64 -8.547 4.864 8.424 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.661 2.160 9.706 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.906 4.220 9.828 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.060 4.839 10.993 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.064 3.387 12.418 1.00 0.00 H new ATOM 953 N SER A 65 -10.624 4.688 10.508 1.00 0.00 N ATOM 954 CA SER A 65 -11.933 4.980 11.163 1.00 0.00 C ATOM 955 C SER A 65 -13.041 4.989 10.109 1.00 0.00 C ATOM 956 O SER A 65 -13.693 5.991 9.880 1.00 0.00 O ATOM 957 CB SER A 65 -11.777 6.364 11.794 1.00 0.00 C ATOM 958 OG SER A 65 -10.467 6.497 12.333 1.00 0.00 O ATOM 0 H SER A 65 -10.147 5.499 10.113 1.00 0.00 H new ATOM 0 HA SER A 65 -12.199 4.233 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.954 7.138 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.520 6.503 12.579 1.00 0.00 H new ATOM 0 HG SER A 65 -9.904 6.996 11.705 1.00 0.00 H new ATOM 964 N VAL A 66 -13.255 3.871 9.472 1.00 0.00 N ATOM 965 CA VAL A 66 -14.322 3.786 8.425 1.00 0.00 C ATOM 966 C VAL A 66 -15.689 4.078 9.050 1.00 0.00 C ATOM 967 O VAL A 66 -16.590 4.570 8.396 1.00 0.00 O ATOM 968 CB VAL A 66 -14.261 2.347 7.899 1.00 0.00 C ATOM 969 CG1 VAL A 66 -15.320 2.147 6.811 1.00 0.00 C ATOM 970 CG2 VAL A 66 -12.872 2.077 7.311 1.00 0.00 C ATOM 0 H VAL A 66 -12.736 3.007 9.630 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.175 4.510 7.624 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.453 1.656 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.272 1.123 6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.309 2.337 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.133 2.839 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -12.828 1.054 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -12.682 2.771 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -12.117 2.213 8.085 1.00 0.00 H new ATOM 980 N GLN A 67 -15.843 3.776 10.312 1.00 0.00 N ATOM 981 CA GLN A 67 -17.144 4.025 11.000 1.00 0.00 C ATOM 982 C GLN A 67 -17.360 5.523 11.289 1.00 0.00 C ATOM 983 O GLN A 67 -18.461 5.962 11.565 1.00 0.00 O ATOM 984 CB GLN A 67 -17.057 3.238 12.309 1.00 0.00 C ATOM 985 CG GLN A 67 -17.099 1.738 12.008 1.00 0.00 C ATOM 986 CD GLN A 67 -17.481 0.972 13.276 1.00 0.00 C ATOM 987 OE1 GLN A 67 -18.504 1.239 13.874 1.00 0.00 O ATOM 988 NE2 GLN A 67 -16.695 0.028 13.715 1.00 0.00 N ATOM 0 H GLN A 67 -15.118 3.365 10.900 1.00 0.00 H new ATOM 0 HA GLN A 67 -17.984 3.715 10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.136 3.488 12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.883 3.511 12.965 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.821 1.535 11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.127 1.402 11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.836 -0.196 13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.939 -0.487 14.561 1.00 0.00 H new ATOM 997 N ALA A 68 -16.327 6.315 11.106 1.00 0.00 N ATOM 998 CA ALA A 68 -16.465 7.795 11.229 1.00 0.00 C ATOM 999 C ALA A 68 -16.548 8.324 9.793 1.00 0.00 C ATOM 1000 O ALA A 68 -17.321 9.220 9.507 1.00 0.00 O ATOM 1001 CB ALA A 68 -15.187 8.271 11.923 1.00 0.00 C ATOM 0 H ALA A 68 -15.388 5.991 10.875 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.336 8.130 11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.221 9.354 12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.106 7.797 12.901 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.322 8.002 11.317 1.00 0.00 H new ATOM 1007 N LEU A 69 -15.760 7.791 8.895 1.00 0.00 N ATOM 1008 CA LEU A 69 -15.796 8.282 7.480 1.00 0.00 C ATOM 1009 C LEU A 69 -15.525 7.126 6.496 1.00 0.00 C ATOM 1010 O LEU A 69 -14.515 6.460 6.611 1.00 0.00 O ATOM 1011 CB LEU A 69 -14.666 9.323 7.405 1.00 0.00 C ATOM 1012 CG LEU A 69 -15.142 10.589 6.671 1.00 0.00 C ATOM 1013 CD1 LEU A 69 -15.543 10.245 5.229 1.00 0.00 C ATOM 1014 CD2 LEU A 69 -16.337 11.202 7.412 1.00 0.00 C ATOM 0 H LEU A 69 -15.095 7.040 9.077 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.767 8.698 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.336 9.582 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.806 8.898 6.887 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.326 11.311 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.878 11.148 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.685 9.828 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.351 9.514 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.670 12.098 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -17.152 10.479 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.040 11.465 8.427 1.00 0.00 H new ATOM 1026 N PRO A 70 -16.416 6.928 5.540 1.00 0.00 N ATOM 1027 CA PRO A 70 -16.206 5.848 4.542 1.00 0.00 C ATOM 1028 C PRO A 70 -15.033 6.233 3.624 1.00 0.00 C ATOM 1029 O PRO A 70 -14.947 7.369 3.200 1.00 0.00 O ATOM 1030 CB PRO A 70 -17.521 5.803 3.767 1.00 0.00 C ATOM 1031 CG PRO A 70 -18.106 7.169 3.935 1.00 0.00 C ATOM 1032 CD PRO A 70 -17.672 7.658 5.292 1.00 0.00 C ATOM 0 HA PRO A 70 -15.961 4.882 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.353 5.570 2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.187 5.035 4.161 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.755 7.840 3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.193 7.136 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.516 8.737 5.298 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -18.420 7.440 6.055 1.00 0.00 H new ATOM 1040 N PRO A 71 -14.143 5.298 3.365 1.00 0.00 N ATOM 1041 CA PRO A 71 -12.968 5.604 2.523 1.00 0.00 C ATOM 1042 C PRO A 71 -13.272 5.485 1.034 1.00 0.00 C ATOM 1043 O PRO A 71 -12.371 5.568 0.222 1.00 0.00 O ATOM 1044 CB PRO A 71 -11.941 4.569 2.959 1.00 0.00 C ATOM 1045 CG PRO A 71 -12.732 3.418 3.499 1.00 0.00 C ATOM 1046 CD PRO A 71 -14.130 3.902 3.816 1.00 0.00 C ATOM 0 HA PRO A 71 -12.628 6.632 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.318 4.257 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.273 4.976 3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.768 2.608 2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.257 3.019 4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.883 3.309 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.345 3.827 4.882 1.00 0.00 H new ATOM 1054 N GLU A 72 -14.507 5.319 0.651 1.00 0.00 N ATOM 1055 CA GLU A 72 -14.814 5.229 -0.797 1.00 0.00 C ATOM 1056 C GLU A 72 -14.555 6.601 -1.418 1.00 0.00 C ATOM 1057 O GLU A 72 -13.600 6.802 -2.141 1.00 0.00 O ATOM 1058 CB GLU A 72 -16.296 4.870 -0.850 1.00 0.00 C ATOM 1059 CG GLU A 72 -16.482 3.481 -1.469 1.00 0.00 C ATOM 1060 CD GLU A 72 -15.976 2.416 -0.495 1.00 0.00 C ATOM 1061 OE1 GLU A 72 -16.470 2.378 0.620 1.00 0.00 O ATOM 1062 OE2 GLU A 72 -15.103 1.655 -0.881 1.00 0.00 O ATOM 0 H GLU A 72 -15.310 5.243 1.276 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.213 4.498 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.718 4.888 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.837 5.613 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.534 3.311 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.938 3.415 -2.411 1.00 0.00 H new ATOM 1069 N GLU A 73 -15.412 7.540 -1.128 1.00 0.00 N ATOM 1070 CA GLU A 73 -15.258 8.913 -1.677 1.00 0.00 C ATOM 1071 C GLU A 73 -13.855 9.440 -1.376 1.00 0.00 C ATOM 1072 O GLU A 73 -13.312 10.253 -2.103 1.00 0.00 O ATOM 1073 CB GLU A 73 -16.322 9.726 -0.952 1.00 0.00 C ATOM 1074 CG GLU A 73 -17.683 9.498 -1.614 1.00 0.00 C ATOM 1075 CD GLU A 73 -18.729 10.396 -0.952 1.00 0.00 C ATOM 1076 OE1 GLU A 73 -18.659 10.564 0.255 1.00 0.00 O ATOM 1077 OE2 GLU A 73 -19.583 10.900 -1.662 1.00 0.00 O ATOM 0 H GLU A 73 -16.224 7.410 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.378 8.960 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.364 9.435 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.066 10.785 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.622 9.717 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.974 8.452 -1.520 1.00 0.00 H new ATOM 1084 N GLU A 74 -13.258 8.952 -0.322 1.00 0.00 N ATOM 1085 CA GLU A 74 -11.873 9.392 0.022 1.00 0.00 C ATOM 1086 C GLU A 74 -10.859 8.608 -0.804 1.00 0.00 C ATOM 1087 O GLU A 74 -9.773 9.081 -1.085 1.00 0.00 O ATOM 1088 CB GLU A 74 -11.699 9.098 1.516 1.00 0.00 C ATOM 1089 CG GLU A 74 -12.799 9.802 2.320 1.00 0.00 C ATOM 1090 CD GLU A 74 -12.206 10.382 3.607 1.00 0.00 C ATOM 1091 OE1 GLU A 74 -11.686 9.612 4.397 1.00 0.00 O ATOM 1092 OE2 GLU A 74 -12.282 11.588 3.780 1.00 0.00 O ATOM 0 H GLU A 74 -13.668 8.269 0.315 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.716 10.449 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.741 8.023 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.719 9.438 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.246 10.597 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.595 9.097 2.560 1.00 0.00 H new ATOM 1099 N GLU A 75 -11.240 7.436 -1.254 1.00 0.00 N ATOM 1100 CA GLU A 75 -10.341 6.650 -2.128 1.00 0.00 C ATOM 1101 C GLU A 75 -10.465 7.234 -3.536 1.00 0.00 C ATOM 1102 O GLU A 75 -9.495 7.548 -4.191 1.00 0.00 O ATOM 1103 CB GLU A 75 -10.862 5.208 -2.072 1.00 0.00 C ATOM 1104 CG GLU A 75 -10.079 4.328 -3.051 1.00 0.00 C ATOM 1105 CD GLU A 75 -10.403 2.857 -2.787 1.00 0.00 C ATOM 1106 OE1 GLU A 75 -10.355 2.458 -1.635 1.00 0.00 O ATOM 1107 OE2 GLU A 75 -10.696 2.154 -3.740 1.00 0.00 O ATOM 0 H GLU A 75 -12.138 6.997 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.293 6.677 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.763 4.816 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.923 5.186 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.337 4.589 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.009 4.502 -2.937 1.00 0.00 H new ATOM 1114 N GLU A 76 -11.688 7.428 -3.975 1.00 0.00 N ATOM 1115 CA GLU A 76 -11.924 8.054 -5.306 1.00 0.00 C ATOM 1116 C GLU A 76 -11.493 9.533 -5.259 1.00 0.00 C ATOM 1117 O GLU A 76 -11.345 10.167 -6.288 1.00 0.00 O ATOM 1118 CB GLU A 76 -13.431 7.938 -5.548 1.00 0.00 C ATOM 1119 CG GLU A 76 -13.736 6.612 -6.245 1.00 0.00 C ATOM 1120 CD GLU A 76 -13.437 5.451 -5.292 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -14.230 5.231 -4.392 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -12.420 4.804 -5.480 1.00 0.00 O ATOM 0 H GLU A 76 -12.533 7.177 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.356 7.572 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.967 7.995 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.777 8.771 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.781 6.583 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.135 6.518 -7.149 1.00 0.00 H new ATOM 1129 N GLY A 77 -11.224 10.071 -4.078 1.00 0.00 N ATOM 1130 CA GLY A 77 -10.733 11.463 -3.992 1.00 0.00 C ATOM 1131 C GLY A 77 -9.271 11.353 -4.360 1.00 0.00 C ATOM 1132 O GLY A 77 -8.746 12.069 -5.190 1.00 0.00 O ATOM 0 H GLY A 77 -11.329 9.592 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.270 12.120 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.864 11.872 -2.990 1.00 0.00 H new ATOM 1136 N LEU A 78 -8.609 10.445 -3.689 1.00 0.00 N ATOM 1137 CA LEU A 78 -7.164 10.226 -3.893 1.00 0.00 C ATOM 1138 C LEU A 78 -6.741 8.952 -3.158 1.00 0.00 C ATOM 1139 O LEU A 78 -7.547 8.085 -2.888 1.00 0.00 O ATOM 1140 CB LEU A 78 -6.537 11.439 -3.230 1.00 0.00 C ATOM 1141 CG LEU A 78 -5.438 12.025 -4.115 1.00 0.00 C ATOM 1142 CD1 LEU A 78 -6.067 12.646 -5.365 1.00 0.00 C ATOM 1143 CD2 LEU A 78 -4.671 13.102 -3.337 1.00 0.00 C ATOM 0 H LEU A 78 -9.032 9.834 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.877 10.112 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.301 12.193 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.121 11.158 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.749 11.233 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.284 13.064 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.609 11.879 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.757 13.437 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.887 13.519 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.358 13.895 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.222 12.659 -2.448 1.00 0.00 H new ATOM 1155 N VAL A 79 -5.493 8.854 -2.800 1.00 0.00 N ATOM 1156 CA VAL A 79 -5.036 7.642 -2.044 1.00 0.00 C ATOM 1157 C VAL A 79 -4.335 8.051 -0.734 1.00 0.00 C ATOM 1158 O VAL A 79 -3.734 9.099 -0.643 1.00 0.00 O ATOM 1159 CB VAL A 79 -4.115 6.858 -3.011 1.00 0.00 C ATOM 1160 CG1 VAL A 79 -2.647 7.302 -2.904 1.00 0.00 C ATOM 1161 CG2 VAL A 79 -4.208 5.367 -2.681 1.00 0.00 C ATOM 0 H VAL A 79 -4.771 9.549 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.867 7.009 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.450 7.059 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.040 6.724 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.569 8.362 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.290 7.136 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.563 4.804 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.889 5.202 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.238 5.032 -2.800 1.00 0.00 H new ATOM 1171 N LEU A 80 -4.421 7.223 0.274 1.00 0.00 N ATOM 1172 CA LEU A 80 -3.769 7.541 1.580 1.00 0.00 C ATOM 1173 C LEU A 80 -2.648 6.534 1.861 1.00 0.00 C ATOM 1174 O LEU A 80 -2.868 5.338 1.875 1.00 0.00 O ATOM 1175 CB LEU A 80 -4.882 7.417 2.623 1.00 0.00 C ATOM 1176 CG LEU A 80 -5.661 8.730 2.698 1.00 0.00 C ATOM 1177 CD1 LEU A 80 -6.809 8.702 1.687 1.00 0.00 C ATOM 1178 CD2 LEU A 80 -6.230 8.905 4.108 1.00 0.00 C ATOM 0 H LEU A 80 -4.919 6.333 0.249 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.318 8.533 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.552 6.599 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.456 7.179 3.598 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.994 9.561 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.364 9.638 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.406 8.576 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.476 7.871 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.786 9.841 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.896 8.073 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.414 8.925 4.830 1.00 0.00 H new ATOM 1190 N LEU A 81 -1.449 7.012 2.074 1.00 0.00 N ATOM 1191 CA LEU A 81 -0.303 6.089 2.343 1.00 0.00 C ATOM 1192 C LEU A 81 -0.133 5.832 3.848 1.00 0.00 C ATOM 1193 O LEU A 81 0.892 5.335 4.279 1.00 0.00 O ATOM 1194 CB LEU A 81 0.920 6.817 1.788 1.00 0.00 C ATOM 1195 CG LEU A 81 1.947 5.794 1.302 1.00 0.00 C ATOM 1196 CD1 LEU A 81 1.426 5.112 0.035 1.00 0.00 C ATOM 1197 CD2 LEU A 81 3.267 6.504 0.992 1.00 0.00 C ATOM 0 H LEU A 81 -1.213 8.004 2.073 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.456 5.113 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.626 7.470 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.359 7.451 2.558 1.00 0.00 H new ATOM 0 HG LEU A 81 2.110 5.046 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.157 4.382 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.485 4.607 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.264 5.860 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.000 5.775 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.104 7.252 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.638 6.991 1.893 1.00 0.00 H new ATOM 1209 N CYS A 82 -1.115 6.168 4.652 1.00 0.00 N ATOM 1210 CA CYS A 82 -0.985 5.944 6.125 1.00 0.00 C ATOM 1211 C CYS A 82 -1.070 4.445 6.464 1.00 0.00 C ATOM 1212 O CYS A 82 -0.638 4.022 7.519 1.00 0.00 O ATOM 1213 CB CYS A 82 -2.145 6.728 6.758 1.00 0.00 C ATOM 1214 SG CYS A 82 -1.523 8.300 7.427 1.00 0.00 S ATOM 0 H CYS A 82 -1.996 6.586 4.352 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.020 6.281 6.504 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.918 6.918 6.014 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.605 6.140 7.552 1.00 0.00 H new ATOM 1220 N ARG A 83 -1.605 3.638 5.577 1.00 0.00 N ATOM 1221 CA ARG A 83 -1.695 2.165 5.851 1.00 0.00 C ATOM 1222 C ARG A 83 -1.962 1.404 4.545 1.00 0.00 C ATOM 1223 O ARG A 83 -1.160 0.598 4.124 1.00 0.00 O ATOM 1224 CB ARG A 83 -2.872 2.010 6.815 1.00 0.00 C ATOM 1225 CG ARG A 83 -2.578 0.876 7.799 1.00 0.00 C ATOM 1226 CD ARG A 83 -3.041 -0.453 7.200 1.00 0.00 C ATOM 1227 NE ARG A 83 -3.596 -1.222 8.349 1.00 0.00 N ATOM 1228 CZ ARG A 83 -3.191 -2.441 8.576 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -1.917 -2.726 8.531 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -4.059 -3.379 8.845 1.00 0.00 N ATOM 0 H ARG A 83 -1.983 3.934 4.677 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.773 1.764 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.038 2.942 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.785 1.797 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.511 0.837 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.089 1.059 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.795 -0.297 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.212 -0.985 6.732 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.293 -0.795 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.238 -1.995 8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.601 -3.679 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.054 -3.159 8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.742 -4.332 9.022 1.00 0.00 H new ATOM 1244 N THR A 84 -3.076 1.694 3.912 1.00 0.00 N ATOM 1245 CA THR A 84 -3.464 1.054 2.604 1.00 0.00 C ATOM 1246 C THR A 84 -3.206 -0.470 2.541 1.00 0.00 C ATOM 1247 O THR A 84 -2.724 -1.077 3.478 1.00 0.00 O ATOM 1248 CB THR A 84 -2.668 1.826 1.533 1.00 0.00 C ATOM 1249 OG1 THR A 84 -3.128 1.460 0.244 1.00 0.00 O ATOM 1250 CG2 THR A 84 -1.176 1.528 1.630 1.00 0.00 C ATOM 0 H THR A 84 -3.757 2.370 4.258 1.00 0.00 H new ATOM 0 HA THR A 84 -4.541 1.122 2.452 1.00 0.00 H new ATOM 0 HB THR A 84 -2.822 2.892 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.091 1.281 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.643 2.087 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.809 1.822 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.008 0.461 1.485 1.00 0.00 H new ATOM 1258 N TYR A 85 -3.608 -1.103 1.462 1.00 0.00 N ATOM 1259 CA TYR A 85 -3.469 -2.597 1.349 1.00 0.00 C ATOM 1260 C TYR A 85 -2.304 -3.016 0.429 1.00 0.00 C ATOM 1261 O TYR A 85 -1.978 -2.314 -0.505 1.00 0.00 O ATOM 1262 CB TYR A 85 -4.801 -3.060 0.759 1.00 0.00 C ATOM 1263 CG TYR A 85 -5.172 -4.404 1.339 1.00 0.00 C ATOM 1264 CD1 TYR A 85 -5.437 -4.527 2.708 1.00 0.00 C ATOM 1265 CD2 TYR A 85 -5.253 -5.527 0.507 1.00 0.00 C ATOM 1266 CE1 TYR A 85 -5.785 -5.773 3.245 1.00 0.00 C ATOM 1267 CE2 TYR A 85 -5.599 -6.772 1.044 1.00 0.00 C ATOM 1268 CZ TYR A 85 -5.866 -6.896 2.413 1.00 0.00 C ATOM 1269 OH TYR A 85 -6.208 -8.124 2.942 1.00 0.00 O ATOM 0 H TYR A 85 -4.028 -0.649 0.651 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.246 -3.044 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.581 -2.330 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.725 -3.129 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.373 -3.661 3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.048 -5.432 -0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.991 -5.867 4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.660 -7.638 0.402 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.220 -8.796 2.229 1.00 0.00 H new ATOM 1279 N PRO A 86 -1.709 -4.164 0.730 1.00 0.00 N ATOM 1280 CA PRO A 86 -0.568 -4.676 -0.076 1.00 0.00 C ATOM 1281 C PRO A 86 -1.035 -5.459 -1.322 1.00 0.00 C ATOM 1282 O PRO A 86 -0.520 -6.527 -1.602 1.00 0.00 O ATOM 1283 CB PRO A 86 0.144 -5.616 0.892 1.00 0.00 C ATOM 1284 CG PRO A 86 -0.896 -6.067 1.872 1.00 0.00 C ATOM 1285 CD PRO A 86 -2.035 -5.077 1.837 1.00 0.00 C ATOM 0 HA PRO A 86 0.056 -3.869 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.576 -6.466 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.963 -5.106 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.252 -7.065 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.474 -6.126 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.989 -5.578 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.120 -4.539 2.781 1.00 0.00 H new ATOM 1293 N LYS A 87 -2.028 -4.978 -2.047 1.00 0.00 N ATOM 1294 CA LYS A 87 -2.518 -5.773 -3.224 1.00 0.00 C ATOM 1295 C LYS A 87 -1.594 -5.638 -4.447 1.00 0.00 C ATOM 1296 O LYS A 87 -0.937 -6.585 -4.838 1.00 0.00 O ATOM 1297 CB LYS A 87 -3.907 -5.198 -3.536 1.00 0.00 C ATOM 1298 CG LYS A 87 -4.933 -6.333 -3.617 1.00 0.00 C ATOM 1299 CD LYS A 87 -6.342 -5.743 -3.701 1.00 0.00 C ATOM 1300 CE LYS A 87 -7.373 -6.873 -3.624 1.00 0.00 C ATOM 1301 NZ LYS A 87 -7.484 -7.388 -5.016 1.00 0.00 N ATOM 0 H LYS A 87 -2.507 -4.093 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.542 -6.838 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.198 -4.487 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.881 -4.651 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.735 -6.955 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.849 -6.977 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.501 -5.035 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.461 -5.190 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.050 -7.656 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.333 -6.507 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.173 -8.166 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.800 -6.623 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.556 -7.736 -5.332 1.00 0.00 H new ATOM 1315 N THR A 88 -1.536 -4.479 -5.048 1.00 0.00 N ATOM 1316 CA THR A 88 -0.651 -4.286 -6.243 1.00 0.00 C ATOM 1317 C THR A 88 -0.291 -2.803 -6.418 1.00 0.00 C ATOM 1318 O THR A 88 -1.069 -2.042 -6.956 1.00 0.00 O ATOM 1319 CB THR A 88 -1.484 -4.784 -7.427 1.00 0.00 C ATOM 1320 OG1 THR A 88 -1.825 -6.149 -7.220 1.00 0.00 O ATOM 1321 CG2 THR A 88 -0.682 -4.649 -8.723 1.00 0.00 C ATOM 0 H THR A 88 -2.063 -3.653 -4.765 1.00 0.00 H new ATOM 0 HA THR A 88 0.293 -4.823 -6.148 1.00 0.00 H new ATOM 0 HB THR A 88 -2.392 -4.186 -7.506 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.240 -6.532 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.282 -5.005 -9.561 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.422 -3.603 -8.882 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.229 -5.243 -8.650 1.00 0.00 H new ATOM 1329 N ASP A 89 0.872 -2.380 -5.981 1.00 0.00 N ATOM 1330 CA ASP A 89 1.240 -0.938 -6.155 1.00 0.00 C ATOM 1331 C ASP A 89 2.341 -0.785 -7.196 1.00 0.00 C ATOM 1332 O ASP A 89 3.467 -1.200 -6.993 1.00 0.00 O ATOM 1333 CB ASP A 89 1.742 -0.457 -4.795 1.00 0.00 C ATOM 1334 CG ASP A 89 0.934 0.753 -4.301 1.00 0.00 C ATOM 1335 OD1 ASP A 89 0.159 1.299 -5.072 1.00 0.00 O ATOM 1336 OD2 ASP A 89 1.116 1.122 -3.154 1.00 0.00 O ATOM 0 H ASP A 89 1.572 -2.960 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 89 0.384 -0.357 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.668 -1.267 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.796 -0.189 -4.867 1.00 0.00 H new ATOM 1341 N LEU A 90 2.019 -0.190 -8.301 1.00 0.00 N ATOM 1342 CA LEU A 90 3.023 0.013 -9.372 1.00 0.00 C ATOM 1343 C LEU A 90 3.743 1.344 -9.140 1.00 0.00 C ATOM 1344 O LEU A 90 4.955 1.412 -9.070 1.00 0.00 O ATOM 1345 CB LEU A 90 2.206 0.068 -10.664 1.00 0.00 C ATOM 1346 CG LEU A 90 2.074 -1.340 -11.248 1.00 0.00 C ATOM 1347 CD1 LEU A 90 1.136 -1.304 -12.456 1.00 0.00 C ATOM 1348 CD2 LEU A 90 3.451 -1.841 -11.689 1.00 0.00 C ATOM 0 H LEU A 90 1.088 0.170 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 90 3.780 -0.771 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.218 0.484 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.690 0.728 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 90 1.668 -2.011 -10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.041 -2.307 -12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.155 -0.946 -12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.543 -0.633 -13.213 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.357 -2.844 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.857 -1.170 -12.447 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.121 -1.866 -10.830 1.00 0.00 H new ATOM 1360 N GLU A 91 2.984 2.402 -8.996 1.00 0.00 N ATOM 1361 CA GLU A 91 3.575 3.749 -8.740 1.00 0.00 C ATOM 1362 C GLU A 91 2.608 4.576 -7.878 1.00 0.00 C ATOM 1363 O GLU A 91 1.424 4.617 -8.149 1.00 0.00 O ATOM 1364 CB GLU A 91 3.748 4.377 -10.117 1.00 0.00 C ATOM 1365 CG GLU A 91 4.973 5.299 -10.111 1.00 0.00 C ATOM 1366 CD GLU A 91 4.696 6.521 -10.988 1.00 0.00 C ATOM 1367 OE1 GLU A 91 4.125 6.346 -12.052 1.00 0.00 O ATOM 1368 OE2 GLU A 91 5.059 7.613 -10.581 1.00 0.00 O ATOM 0 H GLU A 91 1.965 2.387 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 91 4.523 3.699 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.870 3.599 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.856 4.943 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.200 5.613 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.847 4.763 -10.481 1.00 0.00 H new ATOM 1375 N ILE A 92 3.095 5.230 -6.850 1.00 0.00 N ATOM 1376 CA ILE A 92 2.186 6.048 -5.978 1.00 0.00 C ATOM 1377 C ILE A 92 2.898 7.319 -5.508 1.00 0.00 C ATOM 1378 O ILE A 92 4.093 7.335 -5.296 1.00 0.00 O ATOM 1379 CB ILE A 92 1.874 5.173 -4.756 1.00 0.00 C ATOM 1380 CG1 ILE A 92 1.329 3.797 -5.180 1.00 0.00 C ATOM 1381 CG2 ILE A 92 0.847 5.884 -3.869 1.00 0.00 C ATOM 1382 CD1 ILE A 92 -0.010 3.934 -5.917 1.00 0.00 C ATOM 0 H ILE A 92 4.078 5.234 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 92 1.287 6.343 -6.520 1.00 0.00 H new ATOM 0 HB ILE A 92 2.799 5.015 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.053 3.299 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.200 3.167 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.625 5.264 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.252 6.840 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.068 6.055 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.370 2.946 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.739 4.410 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.127 4.544 -6.810 1.00 0.00 H new ATOM 1394 N GLU A 93 2.145 8.365 -5.272 1.00 0.00 N ATOM 1395 CA GLU A 93 2.743 9.615 -4.728 1.00 0.00 C ATOM 1396 C GLU A 93 2.547 9.554 -3.213 1.00 0.00 C ATOM 1397 O GLU A 93 1.659 8.867 -2.738 1.00 0.00 O ATOM 1398 CB GLU A 93 1.953 10.756 -5.346 1.00 0.00 C ATOM 1399 CG GLU A 93 2.309 12.089 -4.676 1.00 0.00 C ATOM 1400 CD GLU A 93 1.504 13.216 -5.325 1.00 0.00 C ATOM 1401 OE1 GLU A 93 1.561 13.337 -6.538 1.00 0.00 O ATOM 1402 OE2 GLU A 93 0.845 13.941 -4.597 1.00 0.00 O ATOM 0 H GLU A 93 1.139 8.403 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 93 3.803 9.745 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.163 10.813 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.885 10.564 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.093 12.041 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.376 12.285 -4.777 1.00 0.00 H new ATOM 1409 N LEU A 94 3.348 10.243 -2.452 1.00 0.00 N ATOM 1410 CA LEU A 94 3.200 10.184 -0.975 1.00 0.00 C ATOM 1411 C LEU A 94 2.126 11.161 -0.479 1.00 0.00 C ATOM 1412 O LEU A 94 1.531 11.871 -1.265 1.00 0.00 O ATOM 1413 CB LEU A 94 4.587 10.519 -0.443 1.00 0.00 C ATOM 1414 CG LEU A 94 5.105 9.340 0.400 1.00 0.00 C ATOM 1415 CD1 LEU A 94 5.877 8.364 -0.496 1.00 0.00 C ATOM 1416 CD2 LEU A 94 6.022 9.854 1.513 1.00 0.00 C ATOM 0 H LEU A 94 4.099 10.845 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 94 2.862 9.209 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.269 10.717 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.548 11.425 0.162 1.00 0.00 H new ATOM 0 HG LEU A 94 4.256 8.824 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.242 7.531 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.217 7.987 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.722 8.880 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.384 9.013 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.870 10.379 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.466 10.537 2.156 1.00 0.00 H new ATOM 1428 N PRO A 95 1.869 11.125 0.812 1.00 0.00 N ATOM 1429 CA PRO A 95 0.805 11.978 1.391 1.00 0.00 C ATOM 1430 C PRO A 95 1.216 13.440 1.525 1.00 0.00 C ATOM 1431 O PRO A 95 0.387 14.322 1.637 1.00 0.00 O ATOM 1432 CB PRO A 95 0.575 11.382 2.763 1.00 0.00 C ATOM 1433 CG PRO A 95 1.849 10.699 3.129 1.00 0.00 C ATOM 1434 CD PRO A 95 2.536 10.311 1.849 1.00 0.00 C ATOM 0 HA PRO A 95 -0.079 11.989 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.324 12.156 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.256 10.677 2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.483 11.360 3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.650 9.818 3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.605 10.521 1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.428 9.245 1.648 1.00 0.00 H new ATOM 1442 N TYR A 96 2.493 13.700 1.435 1.00 0.00 N ATOM 1443 CA TYR A 96 2.967 15.126 1.471 1.00 0.00 C ATOM 1444 C TYR A 96 3.273 15.516 0.026 1.00 0.00 C ATOM 1445 O TYR A 96 3.365 14.684 -0.856 1.00 0.00 O ATOM 1446 CB TYR A 96 4.258 15.254 2.327 1.00 0.00 C ATOM 1447 CG TYR A 96 4.616 14.002 3.107 1.00 0.00 C ATOM 1448 CD1 TYR A 96 3.879 13.635 4.238 1.00 0.00 C ATOM 1449 CD2 TYR A 96 5.720 13.234 2.712 1.00 0.00 C ATOM 1450 CE1 TYR A 96 4.240 12.497 4.970 1.00 0.00 C ATOM 1451 CE2 TYR A 96 6.084 12.099 3.446 1.00 0.00 C ATOM 1452 CZ TYR A 96 5.342 11.729 4.574 1.00 0.00 C ATOM 1453 OH TYR A 96 5.700 10.611 5.298 1.00 0.00 O ATOM 0 H TYR A 96 3.227 12.998 1.339 1.00 0.00 H new ATOM 0 HA TYR A 96 2.210 15.773 1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.091 15.510 1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.136 16.081 3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.032 14.229 4.547 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.291 13.518 1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.668 12.211 5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.936 11.509 3.142 1.00 0.00 H new ATOM 0 HH TYR A 96 5.302 10.659 6.192 1.00 0.00 H new ATOM 1463 N THR A 97 3.413 16.795 -0.209 1.00 0.00 N ATOM 1464 CA THR A 97 3.694 17.292 -1.589 1.00 0.00 C ATOM 1465 C THR A 97 4.393 18.658 -1.541 1.00 0.00 C ATOM 1466 O THR A 97 5.307 18.917 -2.302 1.00 0.00 O ATOM 1467 CB THR A 97 2.317 17.412 -2.261 1.00 0.00 C ATOM 1468 OG1 THR A 97 2.473 17.935 -3.571 1.00 0.00 O ATOM 1469 CG2 THR A 97 1.412 18.348 -1.453 1.00 0.00 C ATOM 0 H THR A 97 3.344 17.523 0.503 1.00 0.00 H new ATOM 0 HA THR A 97 4.357 16.622 -2.136 1.00 0.00 H new ATOM 0 HB THR A 97 1.861 16.423 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.595 18.010 -4.000 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.440 18.424 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.283 17.950 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.868 19.336 -1.397 1.00 0.00 H new ATOM 1477 N HIS A 98 3.972 19.529 -0.658 1.00 0.00 N ATOM 1478 CA HIS A 98 4.612 20.876 -0.561 1.00 0.00 C ATOM 1479 C HIS A 98 4.914 21.215 0.901 1.00 0.00 C ATOM 1480 O HIS A 98 6.031 21.622 1.175 1.00 0.00 O ATOM 1481 CB HIS A 98 3.579 21.847 -1.135 1.00 0.00 C ATOM 1482 CG HIS A 98 3.682 21.858 -2.635 1.00 0.00 C ATOM 1483 ND1 HIS A 98 2.568 21.982 -3.451 1.00 0.00 N ATOM 1484 CD2 HIS A 98 4.757 21.760 -3.483 1.00 0.00 C ATOM 1485 CE1 HIS A 98 2.995 21.955 -4.727 1.00 0.00 C ATOM 1486 NE2 HIS A 98 4.322 21.821 -4.802 1.00 0.00 N ATOM 1487 OXT HIS A 98 4.024 21.062 1.720 1.00 0.00 O ATOM 0 H HIS A 98 3.211 19.364 0.001 1.00 0.00 H new ATOM 0 HA HIS A 98 5.559 20.923 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.576 21.549 -0.831 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.747 22.849 -0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.786 21.652 -3.172 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.344 22.032 -5.585 1.00 0.00 H new ATOM 0 HE2 HIS A 98 4.893 21.774 -5.646 1.00 0.00 H new TER 1495 HIS A 98 HETATM 1496 FE1 FES A 99 -3.472 10.985 10.133 1.00 0.00 FE HETATM 1497 FE2 FES A 99 -2.978 10.059 7.635 1.00 0.00 FE HETATM 1498 S1 FES A 99 -4.791 9.549 8.931 1.00 0.00 S HETATM 1499 S2 FES A 99 -1.927 11.819 8.664 1.00 0.00 S