USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot 180:sc= 0.615 USER MOD Set 1.2: A 27 SER OG : rot 46:sc= 0.896 USER MOD Set 2.1: A 3 SER OG : rot 111:sc= 1.29 USER MOD Set 2.2: A 100 HIS : no HE2:sc= 1.04 K(o=2.3,f=-3.1!) USER MOD Set 3.1: A 2 THR OG1 : rot -143:sc= 0.381 USER MOD Set 3.2: A 96 HIS : no HD1:sc= -0.375 X(o=0.0058,f=-0.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.926 (180deg=0.208!) USER MOD Single : A 4 THR OG1 : rot 158:sc= 0.0484 USER MOD Single : A 10 THR OG1 : rot 71:sc= 0.691 USER MOD Single : A 15 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 16 CYS SG : rot -100:sc= -1.77 USER MOD Single : A 22 THR OG1 : rot -54:sc= 0.682 USER MOD Single : A 28 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-9.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00387 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= 0.342 (180deg=-0.074) USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= 0.0848 (180deg=-0.00714) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.00017) USER MOD Single : A 65 ASN : amide:sc= -0.0548 X(o=-0.055,f=-0.46) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 73 GLN : amide:sc= -0.364 K(o=-0.36,f=-3!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0.541 (180deg=0.518) USER MOD Single : A 79 ASN : amide:sc= -0.286 K(o=-0.29,f=-0.95) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0908 (180deg=-0.477) USER MOD Single : A 97 HIS : no HE2:sc= 0.275 K(o=0.27,f=-1.2) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.366 -5.561 4.599 1.00 0.00 N ATOM 2 CA MET A 1 -13.277 -5.151 3.698 1.00 0.00 C ATOM 3 C MET A 1 -12.062 -4.661 4.512 1.00 0.00 C ATOM 4 O MET A 1 -12.135 -3.646 5.220 1.00 0.00 O ATOM 5 CB MET A 1 -13.779 -4.076 2.678 1.00 0.00 C ATOM 6 CG MET A 1 -14.301 -2.752 3.284 1.00 0.00 C ATOM 7 SD MET A 1 -15.658 -2.994 4.461 1.00 0.00 S ATOM 8 CE MET A 1 -16.002 -1.314 4.998 1.00 0.00 C ATOM 0 H1 MET A 1 -15.012 -6.200 4.094 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.967 -6.053 5.424 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.889 -4.720 4.917 1.00 0.00 H new ATOM 0 HA MET A 1 -12.952 -6.015 3.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.961 -3.842 1.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.576 -4.517 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.480 -2.241 3.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.638 -2.099 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.816 -1.323 5.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.110 -0.890 5.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.289 -0.709 4.138 1.00 0.00 H new ATOM 20 N THR A 2 -10.957 -5.432 4.458 1.00 0.00 N ATOM 21 CA THR A 2 -9.667 -4.999 4.991 1.00 0.00 C ATOM 22 C THR A 2 -9.060 -4.033 3.964 1.00 0.00 C ATOM 23 O THR A 2 -8.445 -4.456 2.975 1.00 0.00 O ATOM 24 CB THR A 2 -8.713 -6.211 5.277 1.00 0.00 C ATOM 25 OG1 THR A 2 -9.371 -7.143 6.155 1.00 0.00 O ATOM 26 CG2 THR A 2 -7.375 -5.768 5.914 1.00 0.00 C ATOM 0 H THR A 2 -10.942 -6.365 4.045 1.00 0.00 H new ATOM 0 HA THR A 2 -9.803 -4.503 5.952 1.00 0.00 H new ATOM 0 HB THR A 2 -8.485 -6.680 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.716 -7.527 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.750 -6.643 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.859 -5.085 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.572 -5.263 6.860 1.00 0.00 H new ATOM 34 N SER A 3 -9.352 -2.737 4.161 1.00 0.00 N ATOM 35 CA SER A 3 -8.959 -1.667 3.239 1.00 0.00 C ATOM 36 C SER A 3 -7.474 -1.311 3.443 1.00 0.00 C ATOM 37 O SER A 3 -7.122 -0.285 4.057 1.00 0.00 O ATOM 38 CB SER A 3 -9.898 -0.460 3.438 1.00 0.00 C ATOM 39 OG SER A 3 -11.260 -0.857 3.332 1.00 0.00 O ATOM 0 H SER A 3 -9.872 -2.403 4.973 1.00 0.00 H new ATOM 0 HA SER A 3 -9.060 -1.997 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.720 -0.012 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.678 0.304 2.693 1.00 0.00 H new ATOM 0 HG SER A 3 -11.687 -0.801 4.212 1.00 0.00 H new ATOM 45 N THR A 4 -6.621 -2.215 2.936 1.00 0.00 N ATOM 46 CA THR A 4 -5.166 -2.123 3.024 1.00 0.00 C ATOM 47 C THR A 4 -4.663 -0.896 2.238 1.00 0.00 C ATOM 48 O THR A 4 -3.879 -0.104 2.758 1.00 0.00 O ATOM 49 CB THR A 4 -4.520 -3.443 2.494 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.014 -4.558 3.261 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.989 -3.403 2.562 1.00 0.00 C ATOM 0 H THR A 4 -6.938 -3.049 2.442 1.00 0.00 H new ATOM 0 HA THR A 4 -4.872 -1.995 4.066 1.00 0.00 H new ATOM 0 HB THR A 4 -4.797 -3.554 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.908 -5.384 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.583 -4.341 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.619 -2.577 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.674 -3.263 3.596 1.00 0.00 H new ATOM 59 N PHE A 5 -5.190 -0.738 1.002 1.00 0.00 N ATOM 60 CA PHE A 5 -4.943 0.437 0.135 1.00 0.00 C ATOM 61 C PHE A 5 -5.254 1.748 0.886 1.00 0.00 C ATOM 62 O PHE A 5 -4.457 2.678 0.852 1.00 0.00 O ATOM 63 CB PHE A 5 -5.790 0.345 -1.190 1.00 0.00 C ATOM 64 CG PHE A 5 -6.097 1.710 -1.834 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.089 2.468 -2.418 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.386 2.257 -1.785 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.349 3.728 -2.911 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.644 3.513 -2.297 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.625 4.245 -2.857 1.00 0.00 C ATOM 0 H PHE A 5 -5.805 -1.430 0.574 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.887 0.439 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.253 -0.272 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.730 -0.163 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.090 2.064 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.189 1.688 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.549 4.313 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.644 3.919 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.825 5.228 -3.256 1.00 0.00 H new ATOM 79 N ASP A 6 -6.421 1.785 1.543 1.00 0.00 N ATOM 80 CA ASP A 6 -6.927 2.989 2.253 1.00 0.00 C ATOM 81 C ASP A 6 -5.922 3.496 3.293 1.00 0.00 C ATOM 82 O ASP A 6 -5.609 4.697 3.340 1.00 0.00 O ATOM 83 CB ASP A 6 -8.279 2.682 2.942 1.00 0.00 C ATOM 84 CG ASP A 6 -8.839 3.861 3.767 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.420 4.787 3.166 1.00 0.00 O ATOM 86 OD2 ASP A 6 -8.706 3.851 5.013 1.00 0.00 O ATOM 0 H ASP A 6 -7.049 0.984 1.603 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.069 3.771 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.009 2.404 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.155 1.819 3.596 1.00 0.00 H new ATOM 91 N ARG A 7 -5.416 2.557 4.098 1.00 0.00 N ATOM 92 CA ARG A 7 -4.456 2.851 5.164 1.00 0.00 C ATOM 93 C ARG A 7 -3.109 3.342 4.603 1.00 0.00 C ATOM 94 O ARG A 7 -2.510 4.262 5.159 1.00 0.00 O ATOM 95 CB ARG A 7 -4.249 1.609 6.055 1.00 0.00 C ATOM 96 CG ARG A 7 -5.523 1.131 6.781 1.00 0.00 C ATOM 97 CD ARG A 7 -5.246 -0.063 7.709 1.00 0.00 C ATOM 98 NE ARG A 7 -4.223 0.251 8.729 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.773 -0.595 9.666 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.252 -1.835 9.759 1.00 0.00 N ATOM 101 NH2 ARG A 7 -2.837 -0.187 10.511 1.00 0.00 N ATOM 0 H ARG A 7 -5.662 1.570 4.028 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.871 3.658 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.868 0.794 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.483 1.832 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.938 1.954 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.276 0.850 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.171 -0.360 8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.915 -0.915 7.114 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.826 1.191 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.972 -2.153 9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.898 -2.466 10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.467 0.761 10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.486 -0.821 11.229 1.00 0.00 H new ATOM 115 N VAL A 8 -2.670 2.754 3.477 1.00 0.00 N ATOM 116 CA VAL A 8 -1.398 3.114 2.821 1.00 0.00 C ATOM 117 C VAL A 8 -1.516 4.494 2.145 1.00 0.00 C ATOM 118 O VAL A 8 -0.579 5.281 2.172 1.00 0.00 O ATOM 119 CB VAL A 8 -0.987 2.031 1.762 1.00 0.00 C ATOM 120 CG1 VAL A 8 0.297 2.434 0.988 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.831 0.653 2.439 1.00 0.00 C ATOM 0 H VAL A 8 -3.185 2.017 2.995 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.623 3.158 3.587 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.786 1.963 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.545 1.656 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.126 3.375 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.122 2.554 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.546 -0.089 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.060 0.710 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.777 0.363 2.896 1.00 0.00 H new ATOM 131 N ALA A 9 -2.693 4.768 1.567 1.00 0.00 N ATOM 132 CA ALA A 9 -3.013 6.050 0.907 1.00 0.00 C ATOM 133 C ALA A 9 -2.999 7.198 1.930 1.00 0.00 C ATOM 134 O ALA A 9 -2.622 8.327 1.606 1.00 0.00 O ATOM 135 CB ALA A 9 -4.384 5.966 0.199 1.00 0.00 C ATOM 0 H ALA A 9 -3.463 4.099 1.542 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.251 6.252 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.604 6.919 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.357 5.178 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.159 5.742 0.932 1.00 0.00 H new ATOM 141 N THR A 10 -3.449 6.879 3.163 1.00 0.00 N ATOM 142 CA THR A 10 -3.385 7.796 4.316 1.00 0.00 C ATOM 143 C THR A 10 -1.923 8.053 4.735 1.00 0.00 C ATOM 144 O THR A 10 -1.545 9.196 4.974 1.00 0.00 O ATOM 145 CB THR A 10 -4.200 7.234 5.528 1.00 0.00 C ATOM 146 OG1 THR A 10 -5.556 6.981 5.125 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.194 8.181 6.751 1.00 0.00 C ATOM 0 H THR A 10 -3.867 5.976 3.385 1.00 0.00 H new ATOM 0 HA THR A 10 -3.831 8.742 4.009 1.00 0.00 H new ATOM 0 HB THR A 10 -3.713 6.309 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.579 6.211 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.776 7.736 7.558 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.168 8.337 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.634 9.138 6.472 1.00 0.00 H new ATOM 155 N ILE A 11 -1.110 6.978 4.800 1.00 0.00 N ATOM 156 CA ILE A 11 0.337 7.071 5.097 1.00 0.00 C ATOM 157 C ILE A 11 1.047 8.006 4.092 1.00 0.00 C ATOM 158 O ILE A 11 1.794 8.902 4.492 1.00 0.00 O ATOM 159 CB ILE A 11 0.996 5.634 5.099 1.00 0.00 C ATOM 160 CG1 ILE A 11 0.443 4.799 6.297 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.542 5.700 5.120 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.878 3.341 6.342 1.00 0.00 C ATOM 0 H ILE A 11 -1.436 6.023 4.649 1.00 0.00 H new ATOM 0 HA ILE A 11 0.456 7.500 6.092 1.00 0.00 H new ATOM 0 HB ILE A 11 0.724 5.136 4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.752 5.280 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.646 4.833 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.949 4.689 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.895 6.233 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.872 6.225 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.437 2.856 7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.545 2.834 5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.965 3.287 6.409 1.00 0.00 H new ATOM 174 N ILE A 12 0.753 7.805 2.798 1.00 0.00 N ATOM 175 CA ILE A 12 1.288 8.615 1.686 1.00 0.00 C ATOM 176 C ILE A 12 0.862 10.094 1.821 1.00 0.00 C ATOM 177 O ILE A 12 1.677 11.007 1.623 1.00 0.00 O ATOM 178 CB ILE A 12 0.811 8.011 0.305 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.498 6.626 0.066 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.024 8.976 -0.885 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.209 5.977 -1.278 1.00 0.00 C ATOM 0 H ILE A 12 0.126 7.063 2.487 1.00 0.00 H new ATOM 0 HA ILE A 12 2.377 8.584 1.724 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.267 7.863 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.576 6.753 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.184 5.943 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.677 8.503 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.461 9.894 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.084 9.212 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.732 5.023 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.137 5.810 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.551 6.632 -2.079 1.00 0.00 H new ATOM 193 N ALA A 13 -0.422 10.302 2.149 1.00 0.00 N ATOM 194 CA ALA A 13 -0.993 11.629 2.447 1.00 0.00 C ATOM 195 C ALA A 13 -0.182 12.400 3.518 1.00 0.00 C ATOM 196 O ALA A 13 0.144 13.583 3.336 1.00 0.00 O ATOM 197 CB ALA A 13 -2.456 11.472 2.894 1.00 0.00 C ATOM 0 H ALA A 13 -1.103 9.546 2.216 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.945 12.220 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.877 12.453 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.031 11.001 2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.498 10.850 3.788 1.00 0.00 H new ATOM 203 N GLU A 14 0.126 11.701 4.623 1.00 0.00 N ATOM 204 CA GLU A 14 0.926 12.239 5.744 1.00 0.00 C ATOM 205 C GLU A 14 2.386 12.511 5.320 1.00 0.00 C ATOM 206 O GLU A 14 3.023 13.441 5.834 1.00 0.00 O ATOM 207 CB GLU A 14 0.905 11.237 6.925 1.00 0.00 C ATOM 208 CG GLU A 14 -0.501 10.875 7.423 1.00 0.00 C ATOM 209 CD GLU A 14 -0.506 9.746 8.466 1.00 0.00 C ATOM 210 OE1 GLU A 14 0.022 8.652 8.167 1.00 0.00 O ATOM 211 OE2 GLU A 14 -1.016 9.943 9.590 1.00 0.00 O ATOM 0 H GLU A 14 -0.175 10.737 4.768 1.00 0.00 H new ATOM 0 HA GLU A 14 0.483 13.186 6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.416 10.324 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.474 11.659 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.965 11.761 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.114 10.577 6.573 1.00 0.00 H new ATOM 218 N THR A 15 2.902 11.688 4.388 1.00 0.00 N ATOM 219 CA THR A 15 4.296 11.761 3.927 1.00 0.00 C ATOM 220 C THR A 15 4.543 13.014 3.063 1.00 0.00 C ATOM 221 O THR A 15 5.384 13.852 3.393 1.00 0.00 O ATOM 222 CB THR A 15 4.681 10.472 3.116 1.00 0.00 C ATOM 223 OG1 THR A 15 4.443 9.308 3.920 1.00 0.00 O ATOM 224 CG2 THR A 15 6.153 10.475 2.654 1.00 0.00 C ATOM 0 H THR A 15 2.360 10.953 3.934 1.00 0.00 H new ATOM 0 HA THR A 15 4.927 11.828 4.813 1.00 0.00 H new ATOM 0 HB THR A 15 4.057 10.459 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.480 9.128 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.362 9.561 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.331 11.338 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.807 10.529 3.524 1.00 0.00 H new ATOM 232 N CYS A 16 3.790 13.143 1.962 1.00 0.00 N ATOM 233 CA CYS A 16 4.072 14.120 0.895 1.00 0.00 C ATOM 234 C CYS A 16 3.140 15.348 0.926 1.00 0.00 C ATOM 235 O CYS A 16 3.116 16.114 -0.044 1.00 0.00 O ATOM 236 CB CYS A 16 3.954 13.365 -0.441 1.00 0.00 C ATOM 237 SG CYS A 16 5.106 11.982 -0.564 1.00 0.00 S ATOM 0 H CYS A 16 2.964 12.571 1.783 1.00 0.00 H new ATOM 0 HA CYS A 16 5.072 14.529 1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.935 12.995 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.136 14.058 -1.262 1.00 0.00 H new ATOM 0 HG CYS A 16 6.134 12.336 -1.276 1.00 0.00 H new ATOM 243 N ASP A 17 2.433 15.553 2.058 1.00 0.00 N ATOM 244 CA ASP A 17 1.467 16.670 2.257 1.00 0.00 C ATOM 245 C ASP A 17 0.461 16.781 1.091 1.00 0.00 C ATOM 246 O ASP A 17 0.459 17.764 0.333 1.00 0.00 O ATOM 247 CB ASP A 17 2.195 18.028 2.495 1.00 0.00 C ATOM 248 CG ASP A 17 3.139 17.998 3.705 1.00 0.00 C ATOM 249 OD1 ASP A 17 2.663 18.177 4.847 1.00 0.00 O ATOM 250 OD2 ASP A 17 4.357 17.780 3.524 1.00 0.00 O ATOM 0 H ASP A 17 2.513 14.944 2.872 1.00 0.00 H new ATOM 0 HA ASP A 17 0.900 16.434 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.764 18.290 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.452 18.812 2.640 1.00 0.00 H new ATOM 255 N ILE A 18 -0.359 15.733 0.940 1.00 0.00 N ATOM 256 CA ILE A 18 -1.335 15.604 -0.167 1.00 0.00 C ATOM 257 C ILE A 18 -2.636 14.945 0.358 1.00 0.00 C ATOM 258 O ILE A 18 -2.564 14.128 1.268 1.00 0.00 O ATOM 259 CB ILE A 18 -0.734 14.779 -1.383 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.032 13.457 -0.901 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.228 15.645 -2.240 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.519 12.582 -2.019 1.00 0.00 C ATOM 0 H ILE A 18 -0.369 14.942 1.583 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.565 16.602 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.572 14.490 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.785 13.720 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.747 12.873 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.620 15.047 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.313 16.503 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.053 15.994 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.984 11.694 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.294 12.282 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.262 13.142 -2.587 1.00 0.00 H new ATOM 274 N PRO A 19 -3.852 15.316 -0.171 1.00 0.00 N ATOM 275 CA PRO A 19 -5.133 14.685 0.257 1.00 0.00 C ATOM 276 C PRO A 19 -5.210 13.190 -0.142 1.00 0.00 C ATOM 277 O PRO A 19 -5.058 12.857 -1.313 1.00 0.00 O ATOM 278 CB PRO A 19 -6.220 15.530 -0.472 1.00 0.00 C ATOM 279 CG PRO A 19 -5.509 16.135 -1.649 1.00 0.00 C ATOM 280 CD PRO A 19 -4.083 16.381 -1.191 1.00 0.00 C ATOM 0 HA PRO A 19 -5.253 14.684 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.056 14.908 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.628 16.300 0.183 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.533 15.464 -2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.986 17.065 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.377 16.303 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.965 17.377 -0.764 1.00 0.00 H new ATOM 288 N ARG A 20 -5.468 12.315 0.855 1.00 0.00 N ATOM 289 CA ARG A 20 -5.552 10.832 0.692 1.00 0.00 C ATOM 290 C ARG A 20 -6.543 10.401 -0.409 1.00 0.00 C ATOM 291 O ARG A 20 -6.326 9.385 -1.081 1.00 0.00 O ATOM 292 CB ARG A 20 -5.917 10.168 2.076 1.00 0.00 C ATOM 293 CG ARG A 20 -6.296 8.644 2.055 1.00 0.00 C ATOM 294 CD ARG A 20 -7.810 8.385 1.871 1.00 0.00 C ATOM 295 NE ARG A 20 -8.135 6.971 1.619 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.326 6.422 0.400 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.028 7.089 -0.709 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.793 5.188 0.311 1.00 0.00 N ATOM 0 H ARG A 20 -5.628 12.617 1.816 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.573 10.482 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.069 10.297 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.753 10.719 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.751 8.154 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.968 8.184 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.339 8.718 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.176 8.988 1.040 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.223 6.358 2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.648 8.033 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.180 6.657 -1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.005 4.661 1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.941 4.764 -0.605 1.00 0.00 H new ATOM 312 N GLU A 21 -7.609 11.191 -0.598 1.00 0.00 N ATOM 313 CA GLU A 21 -8.754 10.819 -1.451 1.00 0.00 C ATOM 314 C GLU A 21 -8.385 10.898 -2.947 1.00 0.00 C ATOM 315 O GLU A 21 -9.006 10.227 -3.781 1.00 0.00 O ATOM 316 CB GLU A 21 -9.963 11.740 -1.137 1.00 0.00 C ATOM 317 CG GLU A 21 -9.685 13.249 -1.309 1.00 0.00 C ATOM 318 CD GLU A 21 -10.920 14.117 -1.032 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.150 14.493 0.141 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.690 14.398 -1.980 1.00 0.00 O ATOM 0 H GLU A 21 -7.705 12.109 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.026 9.786 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.793 11.461 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.285 11.558 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.880 13.545 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.336 13.436 -2.324 1.00 0.00 H new ATOM 327 N THR A 22 -7.360 11.713 -3.271 1.00 0.00 N ATOM 328 CA THR A 22 -6.904 11.909 -4.658 1.00 0.00 C ATOM 329 C THR A 22 -5.911 10.804 -5.073 1.00 0.00 C ATOM 330 O THR A 22 -5.600 10.655 -6.261 1.00 0.00 O ATOM 331 CB THR A 22 -6.276 13.332 -4.850 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.166 13.508 -3.963 1.00 0.00 O ATOM 333 CG2 THR A 22 -7.305 14.455 -4.598 1.00 0.00 C ATOM 0 H THR A 22 -6.831 12.249 -2.583 1.00 0.00 H new ATOM 0 HA THR A 22 -7.775 11.840 -5.310 1.00 0.00 H new ATOM 0 HB THR A 22 -5.942 13.398 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.450 13.324 -3.043 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.828 15.425 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.135 14.352 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.680 14.383 -3.577 1.00 0.00 H new ATOM 341 N ILE A 23 -5.432 10.009 -4.090 1.00 0.00 N ATOM 342 CA ILE A 23 -4.611 8.824 -4.354 1.00 0.00 C ATOM 343 C ILE A 23 -5.579 7.663 -4.672 1.00 0.00 C ATOM 344 O ILE A 23 -6.348 7.243 -3.804 1.00 0.00 O ATOM 345 CB ILE A 23 -3.675 8.442 -3.121 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.522 9.490 -2.886 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.076 7.023 -3.293 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.950 10.838 -2.341 1.00 0.00 C ATOM 0 H ILE A 23 -5.607 10.176 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.941 9.028 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.313 8.455 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.798 9.055 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.005 9.650 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.442 6.789 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.883 6.293 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.481 6.987 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.075 11.476 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.647 11.307 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.436 10.702 -1.375 1.00 0.00 H new ATOM 360 N THR A 24 -5.575 7.200 -5.931 1.00 0.00 N ATOM 361 CA THR A 24 -6.406 6.066 -6.383 1.00 0.00 C ATOM 362 C THR A 24 -5.580 4.759 -6.315 1.00 0.00 C ATOM 363 O THR A 24 -4.347 4.836 -6.241 1.00 0.00 O ATOM 364 CB THR A 24 -6.916 6.324 -7.840 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.813 6.614 -8.717 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.931 7.482 -7.888 1.00 0.00 C ATOM 0 H THR A 24 -4.995 7.600 -6.669 1.00 0.00 H new ATOM 0 HA THR A 24 -7.273 5.967 -5.730 1.00 0.00 H new ATOM 0 HB THR A 24 -7.416 5.415 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.149 6.771 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.263 7.632 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.789 7.240 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.460 8.394 -7.522 1.00 0.00 H new ATOM 374 N PRO A 25 -6.227 3.536 -6.315 1.00 0.00 N ATOM 375 CA PRO A 25 -5.490 2.247 -6.297 1.00 0.00 C ATOM 376 C PRO A 25 -4.504 2.082 -7.469 1.00 0.00 C ATOM 377 O PRO A 25 -3.495 1.406 -7.342 1.00 0.00 O ATOM 378 CB PRO A 25 -6.608 1.173 -6.345 1.00 0.00 C ATOM 379 CG PRO A 25 -7.811 1.872 -5.797 1.00 0.00 C ATOM 380 CD PRO A 25 -7.699 3.303 -6.276 1.00 0.00 C ATOM 0 HA PRO A 25 -4.856 2.172 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.780 0.822 -7.363 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.348 0.300 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.731 1.409 -6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.832 1.823 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.154 3.436 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.198 3.995 -5.598 1.00 0.00 H new ATOM 388 N GLU A 26 -4.760 2.769 -8.589 1.00 0.00 N ATOM 389 CA GLU A 26 -3.938 2.615 -9.804 1.00 0.00 C ATOM 390 C GLU A 26 -2.973 3.807 -9.965 1.00 0.00 C ATOM 391 O GLU A 26 -2.426 4.021 -11.046 1.00 0.00 O ATOM 392 CB GLU A 26 -4.849 2.408 -11.043 1.00 0.00 C ATOM 393 CG GLU A 26 -5.769 1.164 -10.946 1.00 0.00 C ATOM 394 CD GLU A 26 -6.386 0.747 -12.292 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.349 1.397 -12.749 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.898 -0.227 -12.907 1.00 0.00 O ATOM 0 H GLU A 26 -5.526 3.436 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.317 1.724 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.467 3.295 -11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.223 2.316 -11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.195 0.329 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.571 1.370 -10.237 1.00 0.00 H new ATOM 403 N SER A 27 -2.753 4.562 -8.865 1.00 0.00 N ATOM 404 CA SER A 27 -1.737 5.632 -8.807 1.00 0.00 C ATOM 405 C SER A 27 -0.335 5.026 -8.611 1.00 0.00 C ATOM 406 O SER A 27 -0.138 4.178 -7.732 1.00 0.00 O ATOM 407 CB SER A 27 -2.044 6.623 -7.655 1.00 0.00 C ATOM 408 OG SER A 27 -3.248 7.335 -7.887 1.00 0.00 O ATOM 0 H SER A 27 -3.274 4.446 -7.996 1.00 0.00 H new ATOM 0 HA SER A 27 -1.765 6.176 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.119 6.077 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.219 7.327 -7.550 1.00 0.00 H new ATOM 0 HG SER A 27 -3.946 6.712 -8.179 1.00 0.00 H new ATOM 414 N HIS A 28 0.611 5.449 -9.461 1.00 0.00 N ATOM 415 CA HIS A 28 2.031 5.091 -9.339 1.00 0.00 C ATOM 416 C HIS A 28 2.719 6.130 -8.432 1.00 0.00 C ATOM 417 O HIS A 28 2.690 7.315 -8.747 1.00 0.00 O ATOM 418 CB HIS A 28 2.702 5.083 -10.735 1.00 0.00 C ATOM 419 CG HIS A 28 4.055 4.413 -10.753 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.185 5.027 -10.275 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.389 3.193 -11.220 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.168 4.166 -10.470 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.734 3.040 -11.041 1.00 0.00 N ATOM 0 H HIS A 28 0.411 6.053 -10.258 1.00 0.00 H new ATOM 0 HA HIS A 28 2.126 4.095 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.045 4.575 -11.441 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.810 6.110 -11.082 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.716 2.469 -11.656 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.197 4.351 -10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.296 2.227 -11.293 1.00 0.00 H new ATOM 431 N ALA A 29 3.313 5.686 -7.313 1.00 0.00 N ATOM 432 CA ALA A 29 4.019 6.552 -6.342 1.00 0.00 C ATOM 433 C ALA A 29 5.013 7.531 -7.001 1.00 0.00 C ATOM 434 O ALA A 29 5.024 8.708 -6.671 1.00 0.00 O ATOM 435 CB ALA A 29 4.738 5.685 -5.296 1.00 0.00 C ATOM 0 H ALA A 29 3.319 4.701 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 29 3.259 7.168 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.256 6.328 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.008 5.072 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.461 5.039 -5.794 1.00 0.00 H new ATOM 441 N ILE A 30 5.773 7.053 -7.996 1.00 0.00 N ATOM 442 CA ILE A 30 6.890 7.827 -8.571 1.00 0.00 C ATOM 443 C ILE A 30 6.399 8.624 -9.797 1.00 0.00 C ATOM 444 O ILE A 30 6.427 9.859 -9.793 1.00 0.00 O ATOM 445 CB ILE A 30 8.102 6.884 -8.942 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.646 6.166 -7.656 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.227 7.653 -9.683 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.861 5.277 -7.880 1.00 0.00 C ATOM 0 H ILE A 30 5.638 6.136 -8.421 1.00 0.00 H new ATOM 0 HA ILE A 30 7.250 8.534 -7.823 1.00 0.00 H new ATOM 0 HB ILE A 30 7.737 6.123 -9.632 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.901 6.924 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.846 5.561 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.041 6.968 -9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.831 8.078 -10.605 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.601 8.454 -9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.161 4.826 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.611 4.492 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.682 5.876 -8.273 1.00 0.00 H new ATOM 460 N ASP A 31 5.898 7.893 -10.809 1.00 0.00 N ATOM 461 CA ASP A 31 5.482 8.455 -12.118 1.00 0.00 C ATOM 462 C ASP A 31 4.302 9.436 -11.976 1.00 0.00 C ATOM 463 O ASP A 31 4.323 10.542 -12.529 1.00 0.00 O ATOM 464 CB ASP A 31 5.101 7.293 -13.077 1.00 0.00 C ATOM 465 CG ASP A 31 4.586 7.764 -14.452 1.00 0.00 C ATOM 466 OD1 ASP A 31 5.416 8.082 -15.330 1.00 0.00 O ATOM 467 OD2 ASP A 31 3.350 7.815 -14.666 1.00 0.00 O ATOM 0 H ASP A 31 5.767 6.883 -10.746 1.00 0.00 H new ATOM 0 HA ASP A 31 6.321 9.017 -12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.973 6.656 -13.225 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.335 6.680 -12.603 1.00 0.00 H new ATOM 472 N ASP A 32 3.293 9.011 -11.204 1.00 0.00 N ATOM 473 CA ASP A 32 2.002 9.712 -11.090 1.00 0.00 C ATOM 474 C ASP A 32 2.057 10.745 -9.950 1.00 0.00 C ATOM 475 O ASP A 32 2.007 11.949 -10.199 1.00 0.00 O ATOM 476 CB ASP A 32 0.862 8.674 -10.873 1.00 0.00 C ATOM 477 CG ASP A 32 -0.534 9.295 -10.703 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.082 9.821 -11.697 1.00 0.00 O ATOM 479 OD2 ASP A 32 -1.096 9.241 -9.587 1.00 0.00 O ATOM 0 H ASP A 32 3.348 8.165 -10.636 1.00 0.00 H new ATOM 0 HA ASP A 32 1.795 10.254 -12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.842 7.991 -11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.092 8.078 -9.990 1.00 0.00 H new ATOM 484 N LEU A 33 2.224 10.257 -8.708 1.00 0.00 N ATOM 485 CA LEU A 33 2.151 11.087 -7.484 1.00 0.00 C ATOM 486 C LEU A 33 3.376 12.035 -7.332 1.00 0.00 C ATOM 487 O LEU A 33 3.304 13.009 -6.576 1.00 0.00 O ATOM 488 CB LEU A 33 2.013 10.165 -6.238 1.00 0.00 C ATOM 489 CG LEU A 33 0.763 9.220 -6.192 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.814 8.275 -4.964 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.554 10.030 -6.224 1.00 0.00 C ATOM 0 H LEU A 33 2.414 9.273 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 33 1.272 11.726 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.908 9.547 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.995 10.796 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 33 0.789 8.597 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.067 7.633 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.712 7.659 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.833 8.868 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.402 9.346 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.592 10.697 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.597 10.618 -7.141 1.00 0.00 H new ATOM 503 N GLY A 34 4.477 11.747 -8.067 1.00 0.00 N ATOM 504 CA GLY A 34 5.711 12.556 -8.000 1.00 0.00 C ATOM 505 C GLY A 34 6.500 12.373 -6.700 1.00 0.00 C ATOM 506 O GLY A 34 7.187 13.294 -6.242 1.00 0.00 O ATOM 0 H GLY A 34 4.532 10.959 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.351 12.295 -8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.451 13.609 -8.111 1.00 0.00 H new ATOM 510 N ILE A 35 6.405 11.170 -6.123 1.00 0.00 N ATOM 511 CA ILE A 35 7.065 10.797 -4.850 1.00 0.00 C ATOM 512 C ILE A 35 8.308 9.962 -5.162 1.00 0.00 C ATOM 513 O ILE A 35 8.193 8.941 -5.840 1.00 0.00 O ATOM 514 CB ILE A 35 6.094 9.952 -3.944 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.782 10.739 -3.677 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.764 9.523 -2.615 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.720 9.958 -2.925 1.00 0.00 C ATOM 0 H ILE A 35 5.860 10.409 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 35 7.338 11.707 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 35 5.850 9.038 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.022 11.639 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.368 11.064 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.057 8.942 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.643 8.915 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.064 10.409 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.840 10.585 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.446 9.072 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.110 9.656 -1.953 1.00 0.00 H new ATOM 529 N ASP A 36 9.487 10.403 -4.695 1.00 0.00 N ATOM 530 CA ASP A 36 10.751 9.680 -4.927 1.00 0.00 C ATOM 531 C ASP A 36 10.767 8.347 -4.152 1.00 0.00 C ATOM 532 O ASP A 36 10.049 8.177 -3.158 1.00 0.00 O ATOM 533 CB ASP A 36 11.966 10.565 -4.521 1.00 0.00 C ATOM 534 CG ASP A 36 13.313 10.033 -5.052 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.706 10.415 -6.169 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.969 9.211 -4.376 1.00 0.00 O ATOM 0 H ASP A 36 9.593 11.260 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 36 10.828 9.456 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.810 11.577 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.012 10.630 -3.434 1.00 0.00 H new ATOM 541 N SER A 37 11.624 7.423 -4.608 1.00 0.00 N ATOM 542 CA SER A 37 11.764 6.085 -4.021 1.00 0.00 C ATOM 543 C SER A 37 12.295 6.136 -2.565 1.00 0.00 C ATOM 544 O SER A 37 12.042 5.208 -1.786 1.00 0.00 O ATOM 545 CB SER A 37 12.686 5.237 -4.920 1.00 0.00 C ATOM 546 OG SER A 37 13.893 5.935 -5.210 1.00 0.00 O ATOM 0 H SER A 37 12.244 7.586 -5.401 1.00 0.00 H new ATOM 0 HA SER A 37 10.777 5.624 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.916 4.294 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.170 4.992 -5.849 1.00 0.00 H new ATOM 0 HG SER A 37 14.464 5.379 -5.780 1.00 0.00 H new ATOM 552 N LEU A 38 13.003 7.239 -2.198 1.00 0.00 N ATOM 553 CA LEU A 38 13.568 7.415 -0.841 1.00 0.00 C ATOM 554 C LEU A 38 12.431 7.655 0.163 1.00 0.00 C ATOM 555 O LEU A 38 12.456 7.125 1.274 1.00 0.00 O ATOM 556 CB LEU A 38 14.650 8.555 -0.807 1.00 0.00 C ATOM 557 CG LEU A 38 14.185 10.057 -1.005 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.734 10.726 0.322 1.00 0.00 C ATOM 559 CD2 LEU A 38 15.278 10.903 -1.712 1.00 0.00 C ATOM 0 H LEU A 38 13.193 8.018 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 38 14.088 6.501 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.164 8.493 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.387 8.333 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 38 13.310 10.022 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.427 11.753 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.896 10.171 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.563 10.724 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.925 11.927 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.187 10.900 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.491 10.476 -2.692 1.00 0.00 H new ATOM 571 N ASP A 39 11.421 8.444 -0.266 1.00 0.00 N ATOM 572 CA ASP A 39 10.215 8.729 0.530 1.00 0.00 C ATOM 573 C ASP A 39 9.385 7.456 0.669 1.00 0.00 C ATOM 574 O ASP A 39 8.789 7.211 1.713 1.00 0.00 O ATOM 575 CB ASP A 39 9.361 9.826 -0.145 1.00 0.00 C ATOM 576 CG ASP A 39 10.128 11.129 -0.396 1.00 0.00 C ATOM 577 OD1 ASP A 39 10.205 11.972 0.521 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.661 11.317 -1.513 1.00 0.00 O ATOM 0 H ASP A 39 11.423 8.901 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 39 10.523 9.082 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.982 9.448 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.495 10.038 0.482 1.00 0.00 H new ATOM 583 N PHE A 40 9.382 6.648 -0.409 1.00 0.00 N ATOM 584 CA PHE A 40 8.655 5.372 -0.466 1.00 0.00 C ATOM 585 C PHE A 40 9.244 4.342 0.539 1.00 0.00 C ATOM 586 O PHE A 40 8.528 3.447 0.997 1.00 0.00 O ATOM 587 CB PHE A 40 8.679 4.820 -1.912 1.00 0.00 C ATOM 588 CG PHE A 40 7.673 3.707 -2.185 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.346 4.012 -2.470 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.053 2.368 -2.177 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.435 3.015 -2.745 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.140 1.373 -2.448 1.00 0.00 C ATOM 593 CZ PHE A 40 5.833 1.696 -2.733 1.00 0.00 C ATOM 0 H PHE A 40 9.888 6.867 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 40 7.619 5.548 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.489 5.641 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.680 4.447 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.026 5.043 -2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.077 2.106 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.409 3.268 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.450 0.339 -2.437 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.119 0.915 -2.947 1.00 0.00 H new ATOM 603 N LEU A 41 10.556 4.473 0.863 1.00 0.00 N ATOM 604 CA LEU A 41 11.211 3.679 1.944 1.00 0.00 C ATOM 605 C LEU A 41 10.567 4.003 3.312 1.00 0.00 C ATOM 606 O LEU A 41 10.255 3.093 4.097 1.00 0.00 O ATOM 607 CB LEU A 41 12.740 3.974 2.011 1.00 0.00 C ATOM 608 CG LEU A 41 13.573 3.622 0.741 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.040 4.088 0.888 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.485 2.114 0.414 1.00 0.00 C ATOM 0 H LEU A 41 11.186 5.122 0.391 1.00 0.00 H new ATOM 0 HA LEU A 41 11.068 2.623 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.874 5.035 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.157 3.425 2.855 1.00 0.00 H new ATOM 0 HG LEU A 41 13.142 4.163 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.596 3.829 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.066 5.168 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.494 3.596 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.076 1.900 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.872 1.536 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.445 1.841 0.234 1.00 0.00 H new ATOM 622 N ASP A 42 10.370 5.321 3.560 1.00 0.00 N ATOM 623 CA ASP A 42 9.737 5.847 4.794 1.00 0.00 C ATOM 624 C ASP A 42 8.260 5.418 4.866 1.00 0.00 C ATOM 625 O ASP A 42 7.767 5.063 5.940 1.00 0.00 O ATOM 626 CB ASP A 42 9.837 7.401 4.856 1.00 0.00 C ATOM 627 CG ASP A 42 11.284 7.909 4.942 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.866 7.872 6.044 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.852 8.341 3.918 1.00 0.00 O ATOM 0 H ASP A 42 10.647 6.053 2.906 1.00 0.00 H new ATOM 0 HA ASP A 42 10.273 5.431 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.361 7.825 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.280 7.761 5.721 1.00 0.00 H new ATOM 634 N ILE A 43 7.574 5.455 3.700 1.00 0.00 N ATOM 635 CA ILE A 43 6.163 5.022 3.563 1.00 0.00 C ATOM 636 C ILE A 43 6.036 3.537 3.937 1.00 0.00 C ATOM 637 O ILE A 43 5.160 3.156 4.709 1.00 0.00 O ATOM 638 CB ILE A 43 5.628 5.266 2.092 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.601 6.794 1.767 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.232 4.619 1.849 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.305 7.146 0.312 1.00 0.00 C ATOM 0 H ILE A 43 7.983 5.786 2.827 1.00 0.00 H new ATOM 0 HA ILE A 43 5.554 5.618 4.242 1.00 0.00 H new ATOM 0 HB ILE A 43 6.322 4.773 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.851 7.270 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.565 7.224 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.913 4.816 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.297 3.543 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.508 5.045 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.309 8.229 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.068 6.707 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.327 6.754 0.035 1.00 0.00 H new ATOM 653 N ALA A 44 6.978 2.732 3.419 1.00 0.00 N ATOM 654 CA ALA A 44 7.005 1.270 3.616 1.00 0.00 C ATOM 655 C ALA A 44 7.330 0.894 5.073 1.00 0.00 C ATOM 656 O ALA A 44 6.882 -0.139 5.570 1.00 0.00 O ATOM 657 CB ALA A 44 8.031 0.646 2.668 1.00 0.00 C ATOM 0 H ALA A 44 7.749 3.078 2.847 1.00 0.00 H new ATOM 0 HA ALA A 44 6.012 0.880 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.051 -0.434 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.756 0.868 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.018 1.059 2.877 1.00 0.00 H new ATOM 663 N PHE A 45 8.156 1.730 5.714 1.00 0.00 N ATOM 664 CA PHE A 45 8.534 1.601 7.135 1.00 0.00 C ATOM 665 C PHE A 45 7.349 1.974 8.057 1.00 0.00 C ATOM 666 O PHE A 45 7.198 1.424 9.157 1.00 0.00 O ATOM 667 CB PHE A 45 9.769 2.503 7.393 1.00 0.00 C ATOM 668 CG PHE A 45 10.371 2.407 8.793 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.895 1.202 9.260 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.438 3.522 9.628 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.456 1.117 10.518 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.997 3.433 10.886 1.00 0.00 C ATOM 673 CZ PHE A 45 11.509 2.233 11.330 1.00 0.00 C ATOM 0 H PHE A 45 8.590 2.531 5.255 1.00 0.00 H new ATOM 0 HA PHE A 45 8.791 0.566 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.541 2.249 6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.485 3.539 7.208 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.861 0.325 8.630 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.047 4.468 9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.854 0.176 10.868 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.033 4.304 11.523 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.952 2.165 12.313 1.00 0.00 H new ATOM 683 N ALA A 46 6.507 2.906 7.585 1.00 0.00 N ATOM 684 CA ALA A 46 5.263 3.289 8.278 1.00 0.00 C ATOM 685 C ALA A 46 4.200 2.178 8.137 1.00 0.00 C ATOM 686 O ALA A 46 3.399 1.956 9.044 1.00 0.00 O ATOM 687 CB ALA A 46 4.742 4.617 7.729 1.00 0.00 C ATOM 0 H ALA A 46 6.667 3.415 6.716 1.00 0.00 H new ATOM 0 HA ALA A 46 5.477 3.416 9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.823 4.890 8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.491 5.394 7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.540 4.516 6.663 1.00 0.00 H new ATOM 693 N ILE A 47 4.214 1.501 6.974 1.00 0.00 N ATOM 694 CA ILE A 47 3.384 0.303 6.702 1.00 0.00 C ATOM 695 C ILE A 47 3.854 -0.884 7.569 1.00 0.00 C ATOM 696 O ILE A 47 3.042 -1.666 8.075 1.00 0.00 O ATOM 697 CB ILE A 47 3.472 -0.087 5.178 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.876 1.032 4.271 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.791 -1.443 4.888 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.162 0.863 2.785 1.00 0.00 C ATOM 0 H ILE A 47 4.805 1.769 6.187 1.00 0.00 H new ATOM 0 HA ILE A 47 2.349 0.538 6.952 1.00 0.00 H new ATOM 0 HB ILE A 47 4.530 -0.193 4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.797 1.064 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.271 1.994 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.875 -1.673 3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.278 -2.226 5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.738 -1.388 5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.710 1.686 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.239 0.863 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.742 -0.081 2.439 1.00 0.00 H new ATOM 712 N ASP A 48 5.184 -0.987 7.714 1.00 0.00 N ATOM 713 CA ASP A 48 5.866 -2.031 8.510 1.00 0.00 C ATOM 714 C ASP A 48 5.333 -2.029 9.954 1.00 0.00 C ATOM 715 O ASP A 48 5.056 -3.082 10.538 1.00 0.00 O ATOM 716 CB ASP A 48 7.393 -1.744 8.492 1.00 0.00 C ATOM 717 CG ASP A 48 8.278 -2.864 9.073 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.407 -2.967 10.314 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.880 -3.630 8.283 1.00 0.00 O ATOM 0 H ASP A 48 5.833 -0.335 7.274 1.00 0.00 H new ATOM 0 HA ASP A 48 5.672 -3.014 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.699 -1.558 7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.581 -0.827 9.051 1.00 0.00 H new ATOM 724 N LYS A 49 5.182 -0.807 10.495 1.00 0.00 N ATOM 725 CA LYS A 49 4.605 -0.574 11.831 1.00 0.00 C ATOM 726 C LYS A 49 3.088 -0.828 11.841 1.00 0.00 C ATOM 727 O LYS A 49 2.593 -1.626 12.648 1.00 0.00 O ATOM 728 CB LYS A 49 4.926 0.863 12.312 1.00 0.00 C ATOM 729 CG LYS A 49 6.435 1.124 12.493 1.00 0.00 C ATOM 730 CD LYS A 49 6.736 2.549 12.990 1.00 0.00 C ATOM 731 CE LYS A 49 8.241 2.806 13.199 1.00 0.00 C ATOM 732 NZ LYS A 49 8.507 4.203 13.628 1.00 0.00 N ATOM 0 H LYS A 49 5.458 0.050 10.016 1.00 0.00 H new ATOM 0 HA LYS A 49 5.060 -1.283 12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.525 1.577 11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.417 1.044 13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.842 0.403 13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.944 0.960 11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.346 3.269 12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.210 2.720 13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.627 2.116 13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.777 2.602 12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.530 4.337 13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.161 4.861 12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.016 4.390 14.526 1.00 0.00 H new ATOM 746 N ALA A 50 2.376 -0.155 10.918 1.00 0.00 N ATOM 747 CA ALA A 50 0.900 -0.157 10.833 1.00 0.00 C ATOM 748 C ALA A 50 0.298 -1.575 10.791 1.00 0.00 C ATOM 749 O ALA A 50 -0.546 -1.934 11.624 1.00 0.00 O ATOM 750 CB ALA A 50 0.467 0.631 9.584 1.00 0.00 C ATOM 0 H ALA A 50 2.816 0.416 10.197 1.00 0.00 H new ATOM 0 HA ALA A 50 0.521 0.315 11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.621 0.634 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.829 1.657 9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.886 0.161 8.694 1.00 0.00 H new ATOM 756 N PHE A 51 0.743 -2.354 9.796 1.00 0.00 N ATOM 757 CA PHE A 51 0.248 -3.716 9.534 1.00 0.00 C ATOM 758 C PHE A 51 1.027 -4.773 10.330 1.00 0.00 C ATOM 759 O PHE A 51 0.584 -5.924 10.415 1.00 0.00 O ATOM 760 CB PHE A 51 0.295 -4.004 8.013 1.00 0.00 C ATOM 761 CG PHE A 51 -0.640 -3.100 7.201 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.217 -1.857 6.730 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.950 -3.494 6.925 1.00 0.00 C ATOM 764 CE1 PHE A 51 -1.068 -1.041 6.010 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.799 -2.676 6.207 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.356 -1.452 5.748 1.00 0.00 C ATOM 0 H PHE A 51 1.466 -2.054 9.141 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.786 -3.776 9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.317 -3.874 7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.026 -5.046 7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.792 -1.527 6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.304 -4.451 7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.724 -0.082 5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.811 -2.994 6.004 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.021 -0.816 5.182 1.00 0.00 H new ATOM 776 N GLY A 52 2.166 -4.370 10.934 1.00 0.00 N ATOM 777 CA GLY A 52 3.010 -5.293 11.709 1.00 0.00 C ATOM 778 C GLY A 52 3.687 -6.342 10.826 1.00 0.00 C ATOM 779 O GLY A 52 3.927 -7.481 11.255 1.00 0.00 O ATOM 0 H GLY A 52 2.518 -3.413 10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.772 -4.724 12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.401 -5.794 12.462 1.00 0.00 H new ATOM 783 N ILE A 53 3.997 -5.934 9.584 1.00 0.00 N ATOM 784 CA ILE A 53 4.609 -6.798 8.553 1.00 0.00 C ATOM 785 C ILE A 53 6.049 -6.366 8.296 1.00 0.00 C ATOM 786 O ILE A 53 6.438 -5.266 8.664 1.00 0.00 O ATOM 787 CB ILE A 53 3.829 -6.744 7.187 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.764 -5.285 6.634 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.417 -7.354 7.321 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.264 -5.196 5.219 1.00 0.00 C ATOM 0 H ILE A 53 3.828 -4.982 9.260 1.00 0.00 H new ATOM 0 HA ILE A 53 4.570 -7.818 8.936 1.00 0.00 H new ATOM 0 HB ILE A 53 4.381 -7.349 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.115 -4.691 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.758 -4.841 6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.905 -7.301 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.499 -8.396 7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.849 -6.797 8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.246 -4.153 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.926 -5.762 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.257 -5.609 5.162 1.00 0.00 H new ATOM 802 N LYS A 54 6.821 -7.243 7.649 1.00 0.00 N ATOM 803 CA LYS A 54 8.188 -6.938 7.209 1.00 0.00 C ATOM 804 C LYS A 54 8.209 -6.858 5.680 1.00 0.00 C ATOM 805 O LYS A 54 8.250 -7.892 5.009 1.00 0.00 O ATOM 806 CB LYS A 54 9.196 -8.008 7.741 1.00 0.00 C ATOM 807 CG LYS A 54 9.203 -8.187 9.285 1.00 0.00 C ATOM 808 CD LYS A 54 9.419 -6.854 10.054 1.00 0.00 C ATOM 809 CE LYS A 54 10.761 -6.168 9.735 1.00 0.00 C ATOM 810 NZ LYS A 54 10.845 -4.815 10.329 1.00 0.00 N ATOM 0 H LYS A 54 6.516 -8.188 7.414 1.00 0.00 H new ATOM 0 HA LYS A 54 8.500 -5.977 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.963 -8.967 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.200 -7.734 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.257 -8.630 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.990 -8.889 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.605 -6.170 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.366 -7.049 11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.580 -6.781 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.885 -6.098 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.462 -4.216 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.894 -4.395 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.238 -4.881 11.290 1.00 0.00 H new ATOM 824 N LEU A 55 8.088 -5.628 5.140 1.00 0.00 N ATOM 825 CA LEU A 55 8.226 -5.381 3.692 1.00 0.00 C ATOM 826 C LEU A 55 9.708 -5.514 3.295 1.00 0.00 C ATOM 827 O LEU A 55 10.545 -4.771 3.827 1.00 0.00 O ATOM 828 CB LEU A 55 7.700 -3.964 3.282 1.00 0.00 C ATOM 829 CG LEU A 55 6.156 -3.744 3.343 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.788 -2.297 2.946 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.406 -4.765 2.455 1.00 0.00 C ATOM 0 H LEU A 55 7.895 -4.789 5.687 1.00 0.00 H new ATOM 0 HA LEU A 55 7.621 -6.120 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.175 -3.225 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.033 -3.759 2.265 1.00 0.00 H new ATOM 0 HG LEU A 55 5.841 -3.905 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.707 -2.170 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.268 -1.598 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.129 -2.101 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.333 -4.585 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.731 -4.655 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.625 -5.776 2.798 1.00 0.00 H new ATOM 843 N PRO A 56 10.072 -6.477 2.383 1.00 0.00 N ATOM 844 CA PRO A 56 11.407 -6.527 1.751 1.00 0.00 C ATOM 845 C PRO A 56 11.493 -5.495 0.611 1.00 0.00 C ATOM 846 O PRO A 56 11.740 -5.835 -0.545 1.00 0.00 O ATOM 847 CB PRO A 56 11.525 -8.004 1.253 1.00 0.00 C ATOM 848 CG PRO A 56 10.297 -8.699 1.774 1.00 0.00 C ATOM 849 CD PRO A 56 9.252 -7.621 1.936 1.00 0.00 C ATOM 0 HA PRO A 56 12.227 -6.271 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.571 -8.050 0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.433 -8.475 1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.960 -9.469 1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.500 -9.192 2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.731 -7.412 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.493 -7.893 2.670 1.00 0.00 H new ATOM 857 N LEU A 57 11.299 -4.221 0.981 1.00 0.00 N ATOM 858 CA LEU A 57 11.224 -3.093 0.038 1.00 0.00 C ATOM 859 C LEU A 57 12.588 -2.916 -0.658 1.00 0.00 C ATOM 860 O LEU A 57 12.642 -2.585 -1.837 1.00 0.00 O ATOM 861 CB LEU A 57 10.777 -1.791 0.795 1.00 0.00 C ATOM 862 CG LEU A 57 9.941 -0.733 -0.009 1.00 0.00 C ATOM 863 CD1 LEU A 57 10.735 -0.074 -1.152 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.621 -1.354 -0.513 1.00 0.00 C ATOM 0 H LEU A 57 11.188 -3.940 1.955 1.00 0.00 H new ATOM 0 HA LEU A 57 10.478 -3.296 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.191 -2.092 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.673 -1.296 1.170 1.00 0.00 H new ATOM 0 HG LEU A 57 9.701 0.074 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.100 0.647 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.606 0.438 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.062 -0.839 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.055 -0.606 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.842 -2.199 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.032 -1.697 0.338 1.00 0.00 H new ATOM 876 N GLU A 58 13.671 -3.166 0.100 1.00 0.00 N ATOM 877 CA GLU A 58 15.059 -3.100 -0.403 1.00 0.00 C ATOM 878 C GLU A 58 15.291 -4.047 -1.609 1.00 0.00 C ATOM 879 O GLU A 58 15.945 -3.660 -2.591 1.00 0.00 O ATOM 880 CB GLU A 58 16.058 -3.412 0.744 1.00 0.00 C ATOM 881 CG GLU A 58 15.918 -4.821 1.362 1.00 0.00 C ATOM 882 CD GLU A 58 16.854 -5.055 2.562 1.00 0.00 C ATOM 883 OE1 GLU A 58 18.021 -5.451 2.359 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.425 -4.839 3.712 1.00 0.00 O ATOM 0 H GLU A 58 13.609 -3.421 1.086 1.00 0.00 H new ATOM 0 HA GLU A 58 15.232 -2.085 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.073 -3.297 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.927 -2.671 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.886 -4.970 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.126 -5.568 0.596 1.00 0.00 H new ATOM 891 N LYS A 59 14.712 -5.271 -1.545 1.00 0.00 N ATOM 892 CA LYS A 59 14.872 -6.276 -2.617 1.00 0.00 C ATOM 893 C LYS A 59 13.961 -5.917 -3.801 1.00 0.00 C ATOM 894 O LYS A 59 14.338 -6.115 -4.944 1.00 0.00 O ATOM 895 CB LYS A 59 14.603 -7.740 -2.129 1.00 0.00 C ATOM 896 CG LYS A 59 13.132 -8.202 -2.165 1.00 0.00 C ATOM 897 CD LYS A 59 12.924 -9.678 -1.753 1.00 0.00 C ATOM 898 CE LYS A 59 13.569 -10.681 -2.725 1.00 0.00 C ATOM 899 NZ LYS A 59 13.001 -10.586 -4.101 1.00 0.00 N ATOM 0 H LYS A 59 14.133 -5.582 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 59 15.914 -6.251 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.193 -8.421 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.968 -7.835 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.546 -7.565 -1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.742 -8.059 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.339 -9.831 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.855 -9.882 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.644 -10.503 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.427 -11.693 -2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.609 -11.508 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.247 -9.870 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.751 -10.313 -4.768 1.00 0.00 H new ATOM 913 N TRP A 60 12.774 -5.354 -3.492 1.00 0.00 N ATOM 914 CA TRP A 60 11.763 -4.981 -4.499 1.00 0.00 C ATOM 915 C TRP A 60 12.274 -3.837 -5.382 1.00 0.00 C ATOM 916 O TRP A 60 12.141 -3.885 -6.603 1.00 0.00 O ATOM 917 CB TRP A 60 10.437 -4.588 -3.798 1.00 0.00 C ATOM 918 CG TRP A 60 9.716 -5.740 -3.129 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.996 -7.071 -3.242 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.574 -5.658 -2.275 1.00 0.00 C ATOM 921 NE1 TRP A 60 9.125 -7.806 -2.499 1.00 0.00 N ATOM 922 CE2 TRP A 60 8.239 -6.970 -1.899 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.806 -4.604 -1.789 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.174 -7.258 -1.063 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.749 -4.888 -0.954 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.443 -6.209 -0.600 1.00 0.00 C ATOM 0 H TRP A 60 12.491 -5.146 -2.535 1.00 0.00 H new ATOM 0 HA TRP A 60 11.575 -5.841 -5.142 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.649 -3.824 -3.050 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.771 -4.137 -4.534 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.797 -7.483 -3.838 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.136 -8.822 -2.407 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.035 -3.584 -2.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.933 -8.275 -0.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.146 -4.080 -0.566 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.606 -6.398 0.056 1.00 0.00 H new ATOM 937 N THR A 61 12.889 -2.838 -4.732 1.00 0.00 N ATOM 938 CA THR A 61 13.528 -1.690 -5.402 1.00 0.00 C ATOM 939 C THR A 61 14.722 -2.165 -6.252 1.00 0.00 C ATOM 940 O THR A 61 14.948 -1.674 -7.360 1.00 0.00 O ATOM 941 CB THR A 61 13.997 -0.629 -4.349 1.00 0.00 C ATOM 942 OG1 THR A 61 12.871 -0.196 -3.576 1.00 0.00 O ATOM 943 CG2 THR A 61 14.663 0.602 -4.986 1.00 0.00 C ATOM 0 H THR A 61 12.959 -2.802 -3.715 1.00 0.00 H new ATOM 0 HA THR A 61 12.795 -1.222 -6.059 1.00 0.00 H new ATOM 0 HB THR A 61 14.744 -1.116 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.163 0.467 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.965 1.298 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.541 0.289 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.956 1.093 -5.655 1.00 0.00 H new ATOM 951 N GLN A 62 15.450 -3.163 -5.727 1.00 0.00 N ATOM 952 CA GLN A 62 16.606 -3.761 -6.409 1.00 0.00 C ATOM 953 C GLN A 62 16.167 -4.506 -7.688 1.00 0.00 C ATOM 954 O GLN A 62 16.820 -4.392 -8.718 1.00 0.00 O ATOM 955 CB GLN A 62 17.361 -4.712 -5.441 1.00 0.00 C ATOM 956 CG GLN A 62 18.609 -5.389 -6.050 1.00 0.00 C ATOM 957 CD GLN A 62 19.697 -4.422 -6.551 1.00 0.00 C ATOM 958 OE1 GLN A 62 20.373 -4.701 -7.535 1.00 0.00 O ATOM 959 NE2 GLN A 62 19.894 -3.301 -5.865 1.00 0.00 N ATOM 0 H GLN A 62 15.252 -3.578 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 62 17.285 -2.963 -6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.664 -4.147 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.672 -5.486 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.048 -6.048 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.293 -6.018 -6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.317 -3.094 -5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.622 -2.648 -6.154 1.00 0.00 H new ATOM 968 N GLU A 63 15.041 -5.245 -7.599 1.00 0.00 N ATOM 969 CA GLU A 63 14.461 -6.005 -8.733 1.00 0.00 C ATOM 970 C GLU A 63 14.050 -5.062 -9.868 1.00 0.00 C ATOM 971 O GLU A 63 14.333 -5.335 -11.038 1.00 0.00 O ATOM 972 CB GLU A 63 13.245 -6.845 -8.259 1.00 0.00 C ATOM 973 CG GLU A 63 13.606 -7.994 -7.308 1.00 0.00 C ATOM 974 CD GLU A 63 12.370 -8.659 -6.694 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.799 -9.585 -7.307 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.959 -8.254 -5.591 1.00 0.00 O ATOM 0 H GLU A 63 14.504 -5.333 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 63 15.225 -6.683 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.534 -6.186 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.739 -7.257 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.185 -8.742 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.244 -7.614 -6.510 1.00 0.00 H new ATOM 983 N VAL A 64 13.422 -3.938 -9.487 1.00 0.00 N ATOM 984 CA VAL A 64 13.042 -2.865 -10.422 1.00 0.00 C ATOM 985 C VAL A 64 14.276 -2.369 -11.208 1.00 0.00 C ATOM 986 O VAL A 64 14.318 -2.447 -12.440 1.00 0.00 O ATOM 987 CB VAL A 64 12.369 -1.662 -9.663 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.131 -0.455 -10.607 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.052 -2.114 -8.986 1.00 0.00 C ATOM 0 H VAL A 64 13.162 -3.747 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 64 12.317 -3.277 -11.124 1.00 0.00 H new ATOM 0 HB VAL A 64 13.056 -1.331 -8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.665 0.357 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.085 -0.116 -11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.476 -0.756 -11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.601 -1.269 -8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.362 -2.484 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.265 -2.908 -8.270 1.00 0.00 H new ATOM 999 N ASN A 65 15.290 -1.923 -10.457 1.00 0.00 N ATOM 1000 CA ASN A 65 16.519 -1.305 -11.003 1.00 0.00 C ATOM 1001 C ASN A 65 17.386 -2.297 -11.809 1.00 0.00 C ATOM 1002 O ASN A 65 18.091 -1.894 -12.746 1.00 0.00 O ATOM 1003 CB ASN A 65 17.340 -0.668 -9.842 1.00 0.00 C ATOM 1004 CG ASN A 65 16.564 0.422 -9.086 1.00 0.00 C ATOM 1005 OD1 ASN A 65 15.700 1.094 -9.648 1.00 0.00 O ATOM 1006 ND2 ASN A 65 16.871 0.609 -7.814 1.00 0.00 N ATOM 0 H ASN A 65 15.286 -1.979 -9.439 1.00 0.00 H new ATOM 0 HA ASN A 65 16.212 -0.531 -11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.634 -1.449 -9.141 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.257 -0.240 -10.245 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.387 1.325 -7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.592 0.037 -7.374 1.00 0.00 H new ATOM 1013 N ASP A 66 17.320 -3.590 -11.457 1.00 0.00 N ATOM 1014 CA ASP A 66 18.122 -4.660 -12.110 1.00 0.00 C ATOM 1015 C ASP A 66 17.339 -5.332 -13.271 1.00 0.00 C ATOM 1016 O ASP A 66 17.801 -6.314 -13.863 1.00 0.00 O ATOM 1017 CB ASP A 66 18.535 -5.694 -11.024 1.00 0.00 C ATOM 1018 CG ASP A 66 19.615 -6.698 -11.474 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.805 -6.323 -11.498 1.00 0.00 O ATOM 1020 OD2 ASP A 66 19.288 -7.860 -11.802 1.00 0.00 O ATOM 0 H ASP A 66 16.712 -3.933 -10.713 1.00 0.00 H new ATOM 0 HA ASP A 66 19.016 -4.225 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.899 -5.156 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.649 -6.248 -10.712 1.00 0.00 H new ATOM 1025 N GLY A 67 16.158 -4.770 -13.609 1.00 0.00 N ATOM 1026 CA GLY A 67 15.326 -5.269 -14.718 1.00 0.00 C ATOM 1027 C GLY A 67 14.661 -6.625 -14.469 1.00 0.00 C ATOM 1028 O GLY A 67 14.122 -7.226 -15.404 1.00 0.00 O ATOM 0 H GLY A 67 15.760 -3.966 -13.124 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.549 -4.534 -14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.945 -5.344 -15.612 1.00 0.00 H new ATOM 1032 N LYS A 68 14.698 -7.102 -13.213 1.00 0.00 N ATOM 1033 CA LYS A 68 13.990 -8.331 -12.791 1.00 0.00 C ATOM 1034 C LYS A 68 12.476 -8.083 -12.773 1.00 0.00 C ATOM 1035 O LYS A 68 11.677 -8.961 -13.117 1.00 0.00 O ATOM 1036 CB LYS A 68 14.464 -8.769 -11.382 1.00 0.00 C ATOM 1037 CG LYS A 68 15.989 -9.014 -11.199 1.00 0.00 C ATOM 1038 CD LYS A 68 16.551 -10.253 -11.951 1.00 0.00 C ATOM 1039 CE LYS A 68 16.920 -9.981 -13.422 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.394 -11.199 -14.106 1.00 0.00 N ATOM 0 H LYS A 68 15.217 -6.650 -12.460 1.00 0.00 H new ATOM 0 HA LYS A 68 14.217 -9.125 -13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.154 -8.006 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.938 -9.686 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.527 -8.128 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.198 -9.128 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.436 -10.613 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.812 -11.053 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.051 -9.585 -13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.695 -9.215 -13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.632 -10.973 -15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.239 -11.563 -13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.646 -11.921 -14.087 1.00 0.00 H new ATOM 1054 N ALA A 69 12.119 -6.856 -12.389 1.00 0.00 N ATOM 1055 CA ALA A 69 10.741 -6.407 -12.216 1.00 0.00 C ATOM 1056 C ALA A 69 10.607 -4.978 -12.746 1.00 0.00 C ATOM 1057 O ALA A 69 11.617 -4.301 -12.977 1.00 0.00 O ATOM 1058 CB ALA A 69 10.372 -6.471 -10.725 1.00 0.00 C ATOM 0 H ALA A 69 12.803 -6.128 -12.184 1.00 0.00 H new ATOM 0 HA ALA A 69 10.061 -7.052 -12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.343 -6.137 -10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.470 -7.497 -10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.041 -5.825 -10.157 1.00 0.00 H new ATOM 1064 N THR A 70 9.364 -4.535 -12.952 1.00 0.00 N ATOM 1065 CA THR A 70 9.050 -3.137 -13.268 1.00 0.00 C ATOM 1066 C THR A 70 8.618 -2.404 -11.999 1.00 0.00 C ATOM 1067 O THR A 70 8.190 -3.036 -11.017 1.00 0.00 O ATOM 1068 CB THR A 70 7.938 -3.037 -14.361 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.754 -3.732 -13.937 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.409 -3.613 -15.708 1.00 0.00 C ATOM 0 H THR A 70 8.543 -5.138 -12.904 1.00 0.00 H new ATOM 0 HA THR A 70 9.949 -2.666 -13.667 1.00 0.00 H new ATOM 0 HB THR A 70 7.716 -1.979 -14.498 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.066 -3.659 -14.631 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.608 -3.525 -16.442 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.281 -3.059 -16.055 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.672 -4.663 -15.583 1.00 0.00 H new ATOM 1078 N THR A 71 8.738 -1.072 -12.041 1.00 0.00 N ATOM 1079 CA THR A 71 8.474 -0.200 -10.895 1.00 0.00 C ATOM 1080 C THR A 71 7.020 -0.366 -10.412 1.00 0.00 C ATOM 1081 O THR A 71 6.768 -0.516 -9.222 1.00 0.00 O ATOM 1082 CB THR A 71 8.780 1.292 -11.274 1.00 0.00 C ATOM 1083 OG1 THR A 71 9.847 1.342 -12.238 1.00 0.00 O ATOM 1084 CG2 THR A 71 9.177 2.128 -10.053 1.00 0.00 C ATOM 0 H THR A 71 9.024 -0.567 -12.880 1.00 0.00 H new ATOM 0 HA THR A 71 9.131 -0.486 -10.073 1.00 0.00 H new ATOM 0 HB THR A 71 7.865 1.712 -11.692 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.033 2.275 -12.472 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.379 3.153 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.363 2.123 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.072 1.704 -9.597 1.00 0.00 H new ATOM 1092 N GLU A 72 6.105 -0.406 -11.387 1.00 0.00 N ATOM 1093 CA GLU A 72 4.649 -0.563 -11.188 1.00 0.00 C ATOM 1094 C GLU A 72 4.295 -1.692 -10.199 1.00 0.00 C ATOM 1095 O GLU A 72 3.541 -1.475 -9.242 1.00 0.00 O ATOM 1096 CB GLU A 72 3.937 -0.818 -12.561 1.00 0.00 C ATOM 1097 CG GLU A 72 4.010 0.352 -13.584 1.00 0.00 C ATOM 1098 CD GLU A 72 5.414 0.619 -14.156 1.00 0.00 C ATOM 1099 OE1 GLU A 72 5.854 -0.123 -15.056 1.00 0.00 O ATOM 1100 OE2 GLU A 72 6.114 1.538 -13.669 1.00 0.00 O ATOM 0 H GLU A 72 6.360 -0.328 -12.371 1.00 0.00 H new ATOM 0 HA GLU A 72 4.292 0.370 -10.751 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.376 -1.705 -13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.888 -1.044 -12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.331 0.138 -14.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.650 1.261 -13.102 1.00 0.00 H new ATOM 1107 N GLN A 73 4.904 -2.866 -10.423 1.00 0.00 N ATOM 1108 CA GLN A 73 4.602 -4.113 -9.681 1.00 0.00 C ATOM 1109 C GLN A 73 4.718 -3.966 -8.144 1.00 0.00 C ATOM 1110 O GLN A 73 4.092 -4.731 -7.404 1.00 0.00 O ATOM 1111 CB GLN A 73 5.525 -5.253 -10.179 1.00 0.00 C ATOM 1112 CG GLN A 73 5.270 -5.673 -11.645 1.00 0.00 C ATOM 1113 CD GLN A 73 6.246 -6.731 -12.171 1.00 0.00 C ATOM 1114 OE1 GLN A 73 7.401 -6.779 -11.770 1.00 0.00 O ATOM 1115 NE2 GLN A 73 5.782 -7.589 -13.069 1.00 0.00 N ATOM 0 H GLN A 73 5.629 -2.984 -11.131 1.00 0.00 H new ATOM 0 HA GLN A 73 3.558 -4.352 -9.885 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.563 -4.937 -10.078 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.392 -6.122 -9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.254 -6.057 -11.730 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.331 -4.790 -12.281 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.814 -7.524 -13.384 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.393 -8.314 -13.445 1.00 0.00 H new ATOM 1124 N TYR A 74 5.535 -3.005 -7.668 1.00 0.00 N ATOM 1125 CA TYR A 74 5.707 -2.752 -6.219 1.00 0.00 C ATOM 1126 C TYR A 74 5.335 -1.308 -5.820 1.00 0.00 C ATOM 1127 O TYR A 74 5.023 -1.059 -4.653 1.00 0.00 O ATOM 1128 CB TYR A 74 7.173 -3.057 -5.813 1.00 0.00 C ATOM 1129 CG TYR A 74 7.641 -4.478 -6.175 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.988 -5.602 -5.652 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.720 -4.698 -7.039 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.403 -6.882 -5.964 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.137 -5.976 -7.348 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.474 -7.063 -6.816 1.00 0.00 C ATOM 1135 OH TYR A 74 8.901 -8.336 -7.122 1.00 0.00 O ATOM 0 H TYR A 74 6.088 -2.390 -8.265 1.00 0.00 H new ATOM 0 HA TYR A 74 5.023 -3.413 -5.686 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.831 -2.335 -6.297 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.278 -2.914 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.144 -5.465 -4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.235 -3.853 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.893 -7.736 -5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.981 -6.126 -8.005 1.00 0.00 H new ATOM 0 HH TYR A 74 9.664 -8.287 -7.735 1.00 0.00 H new ATOM 1145 N PHE A 75 5.355 -0.352 -6.778 1.00 0.00 N ATOM 1146 CA PHE A 75 5.232 1.101 -6.483 1.00 0.00 C ATOM 1147 C PHE A 75 3.872 1.668 -6.951 1.00 0.00 C ATOM 1148 O PHE A 75 3.691 2.880 -6.980 1.00 0.00 O ATOM 1149 CB PHE A 75 6.413 1.887 -7.144 1.00 0.00 C ATOM 1150 CG PHE A 75 7.806 1.635 -6.528 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.470 0.416 -6.700 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.461 2.630 -5.797 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.725 0.197 -6.152 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.715 2.410 -5.252 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.348 1.194 -5.434 1.00 0.00 C ATOM 0 H PHE A 75 5.456 -0.561 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 75 5.282 1.227 -5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.451 1.629 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.196 2.953 -7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.996 -0.369 -7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.981 3.587 -5.655 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.214 -0.756 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.200 3.190 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.329 1.026 -5.014 1.00 0.00 H new ATOM 1165 N VAL A 76 2.914 0.794 -7.309 1.00 0.00 N ATOM 1166 CA VAL A 76 1.505 1.201 -7.548 1.00 0.00 C ATOM 1167 C VAL A 76 0.663 0.731 -6.355 1.00 0.00 C ATOM 1168 O VAL A 76 0.837 -0.388 -5.902 1.00 0.00 O ATOM 1169 CB VAL A 76 0.920 0.630 -8.895 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.584 0.949 -9.062 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.707 1.158 -10.110 1.00 0.00 C ATOM 0 H VAL A 76 3.084 -0.203 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 76 1.473 2.286 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 76 1.028 -0.454 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.941 0.535 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.143 0.508 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.729 2.029 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.281 0.748 -11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.647 2.246 -10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.751 0.854 -10.027 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.253 1.593 -5.901 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.048 1.416 -4.661 1.00 0.00 C ATOM 1183 C LEU A 77 -1.791 0.067 -4.570 1.00 0.00 C ATOM 1184 O LEU A 77 -1.853 -0.517 -3.497 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.047 2.607 -4.509 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.519 3.848 -3.740 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.267 3.505 -2.259 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.273 4.466 -4.421 1.00 0.00 C ATOM 0 H LEU A 77 -0.475 2.459 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.337 1.407 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.355 2.926 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.940 2.243 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.293 4.615 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.897 4.389 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.198 3.176 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.527 2.708 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.062 5.331 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.525 3.725 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.529 4.777 -5.434 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.330 -0.418 -5.701 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.113 -1.684 -5.751 1.00 0.00 C ATOM 1202 C LYS A 78 -2.188 -2.902 -5.559 1.00 0.00 C ATOM 1203 O LYS A 78 -2.525 -3.856 -4.850 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.888 -1.801 -7.107 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.984 -1.724 -8.362 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.741 -1.840 -9.701 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.790 -1.743 -10.912 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.511 -1.886 -12.197 1.00 0.00 N ATOM 0 H LYS A 78 -2.242 0.046 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.838 -1.667 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.432 -2.746 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.631 -1.005 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.441 -0.779 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.241 -2.519 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.275 -2.790 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.490 -1.051 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.273 -0.783 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.027 -2.518 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.858 -1.697 -12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.883 -2.853 -12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.299 -1.208 -12.230 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.009 -2.826 -6.196 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.007 -3.902 -6.213 1.00 0.00 C ATOM 1224 C ASN A 79 0.700 -3.972 -4.860 1.00 0.00 C ATOM 1225 O ASN A 79 0.823 -5.041 -4.285 1.00 0.00 O ATOM 1226 CB ASN A 79 1.016 -3.655 -7.353 1.00 0.00 C ATOM 1227 CG ASN A 79 0.373 -3.583 -8.742 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.615 -4.267 -9.029 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.911 -2.744 -9.610 1.00 0.00 N ATOM 0 H ASN A 79 -0.721 -2.001 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.504 -4.855 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.548 -2.724 -7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.758 -4.454 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.510 -2.649 -10.543 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.727 -2.191 -9.347 1.00 0.00 H new ATOM 1236 N LEU A 80 1.120 -2.794 -4.367 1.00 0.00 N ATOM 1237 CA LEU A 80 1.744 -2.613 -3.047 1.00 0.00 C ATOM 1238 C LEU A 80 0.808 -3.133 -1.945 1.00 0.00 C ATOM 1239 O LEU A 80 1.224 -3.945 -1.125 1.00 0.00 O ATOM 1240 CB LEU A 80 2.077 -1.113 -2.803 1.00 0.00 C ATOM 1241 CG LEU A 80 2.728 -0.769 -1.418 1.00 0.00 C ATOM 1242 CD1 LEU A 80 4.114 -1.438 -1.243 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.781 0.759 -1.181 1.00 0.00 C ATOM 0 H LEU A 80 1.032 -1.922 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 80 2.673 -3.183 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.751 -0.778 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.157 -0.536 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 80 2.084 -1.190 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.526 -1.172 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.006 -2.521 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.786 -1.093 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.238 0.961 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.373 1.229 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.770 1.165 -1.197 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.476 -2.701 -1.995 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.504 -3.088 -0.997 1.00 0.00 C ATOM 1257 C ALA A 81 -1.739 -4.601 -1.012 1.00 0.00 C ATOM 1258 O ALA A 81 -1.968 -5.214 0.035 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.830 -2.350 -1.245 1.00 0.00 C ATOM 0 H ALA A 81 -0.827 -2.079 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.128 -2.800 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.562 -2.656 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.667 -1.275 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.203 -2.596 -2.239 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.656 -5.194 -2.212 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.773 -6.644 -2.389 1.00 0.00 C ATOM 1267 C ALA A 82 -0.568 -7.366 -1.756 1.00 0.00 C ATOM 1268 O ALA A 82 -0.760 -8.340 -1.039 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.919 -7.006 -3.873 1.00 0.00 C ATOM 0 H ALA A 82 -1.507 -4.682 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.675 -6.979 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.004 -8.088 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.813 -6.531 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.044 -6.657 -4.421 1.00 0.00 H new ATOM 1275 N ARG A 83 0.665 -6.845 -1.995 1.00 0.00 N ATOM 1276 CA ARG A 83 1.915 -7.397 -1.402 1.00 0.00 C ATOM 1277 C ARG A 83 1.825 -7.421 0.135 1.00 0.00 C ATOM 1278 O ARG A 83 2.180 -8.407 0.778 1.00 0.00 O ATOM 1279 CB ARG A 83 3.180 -6.568 -1.784 1.00 0.00 C ATOM 1280 CG ARG A 83 3.467 -6.357 -3.286 1.00 0.00 C ATOM 1281 CD ARG A 83 3.416 -7.647 -4.112 1.00 0.00 C ATOM 1282 NE ARG A 83 4.307 -8.709 -3.607 1.00 0.00 N ATOM 1283 CZ ARG A 83 4.579 -9.843 -4.266 1.00 0.00 C ATOM 1284 NH1 ARG A 83 4.174 -10.018 -5.524 1.00 0.00 N ATOM 1285 NH2 ARG A 83 5.255 -10.799 -3.662 1.00 0.00 N ATOM 0 H ARG A 83 0.821 -6.038 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 83 2.014 -8.405 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.093 -5.587 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.048 -7.056 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.742 -5.650 -3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.452 -5.903 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.392 -8.020 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.685 -7.419 -5.143 1.00 0.00 H new ATOM 0 HE ARG A 83 4.745 -8.571 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.649 -9.283 -5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.389 -10.887 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.567 -10.673 -2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.466 -11.665 -4.157 1.00 0.00 H new ATOM 1299 N ILE A 84 1.323 -6.308 0.677 1.00 0.00 N ATOM 1300 CA ILE A 84 1.146 -6.086 2.119 1.00 0.00 C ATOM 1301 C ILE A 84 0.157 -7.106 2.689 1.00 0.00 C ATOM 1302 O ILE A 84 0.463 -7.798 3.652 1.00 0.00 O ATOM 1303 CB ILE A 84 0.615 -4.622 2.357 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.691 -3.580 1.917 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.142 -4.383 3.816 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.170 -2.165 1.794 1.00 0.00 C ATOM 0 H ILE A 84 1.020 -5.514 0.112 1.00 0.00 H new ATOM 0 HA ILE A 84 2.103 -6.210 2.627 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.270 -4.490 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.509 -3.593 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.107 -3.887 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.213 -3.358 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.668 -5.073 4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.974 -4.550 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.980 -1.505 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.373 -2.134 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.781 -1.835 2.757 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.994 -7.220 2.004 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.148 -8.034 2.436 1.00 0.00 C ATOM 1320 C ASP A 85 -1.788 -9.538 2.426 1.00 0.00 C ATOM 1321 O ASP A 85 -2.276 -10.309 3.264 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.363 -7.729 1.507 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.697 -8.290 2.022 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.354 -7.619 2.853 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -5.097 -9.396 1.606 1.00 0.00 O ATOM 0 H ASP A 85 -1.153 -6.741 1.118 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.417 -7.776 3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.456 -6.649 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.164 -8.142 0.518 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.903 -9.926 1.469 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.307 -11.280 1.397 1.00 0.00 C ATOM 1332 C GLU A 86 0.533 -11.556 2.654 1.00 0.00 C ATOM 1333 O GLU A 86 0.417 -12.616 3.260 1.00 0.00 O ATOM 1334 CB GLU A 86 0.597 -11.438 0.136 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.142 -11.359 -1.217 1.00 0.00 C ATOM 1336 CD GLU A 86 0.783 -11.433 -2.450 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.805 -10.710 -2.494 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.504 -12.224 -3.376 1.00 0.00 O ATOM 0 H GLU A 86 -0.585 -9.304 0.726 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.126 -11.996 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.363 -10.663 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.111 -12.397 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.866 -12.172 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.706 -10.427 -1.256 1.00 0.00 H new ATOM 1345 N LEU A 87 1.382 -10.579 3.022 1.00 0.00 N ATOM 1346 CA LEU A 87 2.281 -10.687 4.190 1.00 0.00 C ATOM 1347 C LEU A 87 1.488 -10.663 5.524 1.00 0.00 C ATOM 1348 O LEU A 87 1.899 -11.310 6.493 1.00 0.00 O ATOM 1349 CB LEU A 87 3.363 -9.565 4.153 1.00 0.00 C ATOM 1350 CG LEU A 87 4.293 -9.544 2.893 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.342 -8.416 2.987 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.951 -10.924 2.645 1.00 0.00 C ATOM 0 H LEU A 87 1.466 -9.694 2.521 1.00 0.00 H new ATOM 0 HA LEU A 87 2.788 -11.650 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.860 -8.601 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.989 -9.663 5.040 1.00 0.00 H new ATOM 0 HG LEU A 87 3.666 -9.331 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.971 -8.429 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.836 -7.453 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.961 -8.568 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.589 -10.870 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.552 -11.201 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.176 -11.674 2.487 1.00 0.00 H new ATOM 1364 N VAL A 88 0.341 -9.941 5.546 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.567 -9.885 6.718 1.00 0.00 C ATOM 1366 C VAL A 88 -1.245 -11.260 6.917 1.00 0.00 C ATOM 1367 O VAL A 88 -1.372 -11.756 8.044 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.671 -8.753 6.579 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.609 -8.737 7.807 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.036 -7.352 6.377 1.00 0.00 C ATOM 0 H VAL A 88 0.020 -9.383 4.755 1.00 0.00 H new ATOM 0 HA VAL A 88 0.040 -9.636 7.589 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.258 -8.989 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.355 -7.952 7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.109 -9.702 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.026 -8.546 8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.824 -6.605 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.405 -7.112 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.432 -7.354 5.470 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.647 -11.865 5.791 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.285 -13.192 5.755 1.00 0.00 C ATOM 1382 C ALA A 89 -1.290 -14.307 6.137 1.00 0.00 C ATOM 1383 O ALA A 89 -1.639 -15.237 6.874 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.884 -13.453 4.359 1.00 0.00 C ATOM 0 H ALA A 89 -1.538 -11.444 4.868 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.088 -13.202 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.353 -14.437 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.630 -12.691 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.092 -13.416 3.611 1.00 0.00 H new ATOM 1390 N ALA A 90 -0.053 -14.182 5.619 1.00 0.00 N ATOM 1391 CA ALA A 90 1.030 -15.164 5.821 1.00 0.00 C ATOM 1392 C ALA A 90 1.467 -15.239 7.298 1.00 0.00 C ATOM 1393 O ALA A 90 1.727 -16.329 7.822 1.00 0.00 O ATOM 1394 CB ALA A 90 2.234 -14.823 4.922 1.00 0.00 C ATOM 0 H ALA A 90 0.225 -13.388 5.042 1.00 0.00 H new ATOM 0 HA ALA A 90 0.643 -16.144 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.026 -15.555 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.925 -14.844 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.604 -13.829 5.171 1.00 0.00 H new ATOM 1400 N LYS A 91 1.517 -14.071 7.964 1.00 0.00 N ATOM 1401 CA LYS A 91 1.973 -13.967 9.369 1.00 0.00 C ATOM 1402 C LYS A 91 0.802 -14.247 10.334 1.00 0.00 C ATOM 1403 O LYS A 91 1.008 -14.698 11.465 1.00 0.00 O ATOM 1404 CB LYS A 91 2.557 -12.553 9.640 1.00 0.00 C ATOM 1405 CG LYS A 91 1.508 -11.423 9.673 1.00 0.00 C ATOM 1406 CD LYS A 91 2.113 -10.044 9.977 1.00 0.00 C ATOM 1407 CE LYS A 91 1.028 -8.993 10.244 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.175 -9.354 11.404 1.00 0.00 N ATOM 0 H LYS A 91 1.246 -13.178 7.551 1.00 0.00 H new ATOM 0 HA LYS A 91 2.753 -14.710 9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.086 -12.569 10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.294 -12.325 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.995 -11.384 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.756 -11.656 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.769 -10.118 10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.730 -9.724 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.497 -8.026 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.405 -8.882 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.317 -8.506 11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.525 -10.065 11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.769 -9.744 12.163 1.00 0.00 H new ATOM 1422 N GLY A 92 -0.428 -13.970 9.853 1.00 0.00 N ATOM 1423 CA GLY A 92 -1.641 -14.079 10.660 1.00 0.00 C ATOM 1424 C GLY A 92 -2.108 -15.520 10.817 1.00 0.00 C ATOM 1425 O GLY A 92 -2.533 -15.916 11.912 1.00 0.00 O ATOM 0 H GLY A 92 -0.598 -13.666 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.458 -13.650 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.435 -13.491 10.199 1.00 0.00 H new ATOM 1429 N ALA A 93 -1.999 -16.290 9.700 1.00 0.00 N ATOM 1430 CA ALA A 93 -2.450 -17.709 9.568 1.00 0.00 C ATOM 1431 C ALA A 93 -3.996 -17.809 9.543 1.00 0.00 C ATOM 1432 O ALA A 93 -4.589 -18.375 8.612 1.00 0.00 O ATOM 1433 CB ALA A 93 -1.829 -18.623 10.652 1.00 0.00 C ATOM 0 H ALA A 93 -1.583 -15.933 8.840 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.084 -18.075 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.186 -19.644 10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.743 -18.604 10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.121 -18.266 11.640 1.00 0.00 H new ATOM 1439 N LEU A 94 -4.621 -17.256 10.590 1.00 0.00 N ATOM 1440 CA LEU A 94 -6.074 -17.023 10.668 1.00 0.00 C ATOM 1441 C LEU A 94 -6.446 -15.820 9.773 1.00 0.00 C ATOM 1442 O LEU A 94 -5.565 -15.024 9.393 1.00 0.00 O ATOM 1443 CB LEU A 94 -6.517 -16.756 12.156 1.00 0.00 C ATOM 1444 CG LEU A 94 -6.332 -17.920 13.194 1.00 0.00 C ATOM 1445 CD1 LEU A 94 -7.015 -19.213 12.719 1.00 0.00 C ATOM 1446 CD2 LEU A 94 -4.849 -18.159 13.559 1.00 0.00 C ATOM 0 H LEU A 94 -4.123 -16.951 11.426 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.596 -17.913 10.316 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.963 -15.891 12.520 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.571 -16.479 12.147 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.828 -17.602 14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.867 -19.997 13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.082 -19.034 12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.581 -19.526 11.769 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.778 -18.974 14.279 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.291 -18.420 12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.431 -17.252 13.995 1.00 0.00 H new ATOM 1458 N GLU A 95 -7.748 -15.689 9.460 1.00 0.00 N ATOM 1459 CA GLU A 95 -8.267 -14.624 8.573 1.00 0.00 C ATOM 1460 C GLU A 95 -7.982 -13.218 9.150 1.00 0.00 C ATOM 1461 O GLU A 95 -8.225 -12.958 10.331 1.00 0.00 O ATOM 1462 CB GLU A 95 -9.786 -14.813 8.303 1.00 0.00 C ATOM 1463 CG GLU A 95 -10.667 -14.900 9.562 1.00 0.00 C ATOM 1464 CD GLU A 95 -12.162 -15.043 9.236 1.00 0.00 C ATOM 1465 OE1 GLU A 95 -12.549 -16.080 8.660 1.00 0.00 O ATOM 1466 OE2 GLU A 95 -12.947 -14.108 9.522 1.00 0.00 O ATOM 0 H GLU A 95 -8.471 -16.316 9.813 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.740 -14.705 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.136 -13.983 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.925 -15.722 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.348 -15.751 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.516 -14.006 10.168 1.00 0.00 H new ATOM 1473 N HIS A 96 -7.468 -12.320 8.282 1.00 0.00 N ATOM 1474 CA HIS A 96 -7.108 -10.926 8.642 1.00 0.00 C ATOM 1475 C HIS A 96 -8.309 -9.960 8.436 1.00 0.00 C ATOM 1476 O HIS A 96 -8.118 -8.738 8.327 1.00 0.00 O ATOM 1477 CB HIS A 96 -5.862 -10.472 7.813 1.00 0.00 C ATOM 1478 CG HIS A 96 -6.063 -10.447 6.310 1.00 0.00 C ATOM 1479 ND1 HIS A 96 -5.644 -11.462 5.480 1.00 0.00 N ATOM 1480 CD2 HIS A 96 -6.630 -9.525 5.496 1.00 0.00 C ATOM 1481 CE1 HIS A 96 -5.944 -11.170 4.235 1.00 0.00 C ATOM 1482 NE2 HIS A 96 -6.544 -9.999 4.214 1.00 0.00 N ATOM 0 H HIS A 96 -7.289 -12.541 7.303 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.853 -10.893 9.701 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.570 -9.474 8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.030 -11.139 8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.070 -8.587 5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -5.734 -11.787 3.374 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -6.888 -9.523 3.380 1.00 0.00 H new ATOM 1491 N HIS A 97 -9.539 -10.528 8.399 1.00 0.00 N ATOM 1492 CA HIS A 97 -10.793 -9.761 8.266 1.00 0.00 C ATOM 1493 C HIS A 97 -10.944 -8.742 9.417 1.00 0.00 C ATOM 1494 O HIS A 97 -10.889 -9.116 10.597 1.00 0.00 O ATOM 1495 CB HIS A 97 -12.035 -10.710 8.233 1.00 0.00 C ATOM 1496 CG HIS A 97 -12.254 -11.440 6.935 1.00 0.00 C ATOM 1497 ND1 HIS A 97 -12.874 -12.669 6.860 1.00 0.00 N ATOM 1498 CD2 HIS A 97 -11.995 -11.079 5.659 1.00 0.00 C ATOM 1499 CE1 HIS A 97 -12.986 -13.032 5.598 1.00 0.00 C ATOM 1500 NE2 HIS A 97 -12.458 -12.085 4.850 1.00 0.00 N ATOM 0 H HIS A 97 -9.685 -11.536 8.461 1.00 0.00 H new ATOM 0 HA HIS A 97 -10.744 -9.219 7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -11.931 -11.445 9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -12.926 -10.123 8.455 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -13.197 -13.214 7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -11.513 -10.168 5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -13.433 -13.947 5.239 1.00 0.00 H new ATOM 1509 N HIS A 98 -11.101 -7.459 9.045 1.00 0.00 N ATOM 1510 CA HIS A 98 -11.384 -6.366 9.976 1.00 0.00 C ATOM 1511 C HIS A 98 -12.394 -5.394 9.327 1.00 0.00 C ATOM 1512 O HIS A 98 -12.077 -4.720 8.337 1.00 0.00 O ATOM 1513 CB HIS A 98 -10.077 -5.627 10.375 1.00 0.00 C ATOM 1514 CG HIS A 98 -10.308 -4.544 11.398 1.00 0.00 C ATOM 1515 ND1 HIS A 98 -10.437 -4.811 12.741 1.00 0.00 N ATOM 1516 CD2 HIS A 98 -10.491 -3.206 11.263 1.00 0.00 C ATOM 1517 CE1 HIS A 98 -10.702 -3.698 13.387 1.00 0.00 C ATOM 1518 NE2 HIS A 98 -10.738 -2.706 12.514 1.00 0.00 N ATOM 0 H HIS A 98 -11.033 -7.154 8.074 1.00 0.00 H new ATOM 0 HA HIS A 98 -11.819 -6.775 10.888 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.363 -6.349 10.772 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -9.626 -5.189 9.484 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.450 -2.642 10.343 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -10.863 -3.609 14.451 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -10.920 -1.727 12.736 1.00 0.00 H new ATOM 1527 N HIS A 99 -13.610 -5.348 9.896 1.00 0.00 N ATOM 1528 CA HIS A 99 -14.679 -4.425 9.473 1.00 0.00 C ATOM 1529 C HIS A 99 -14.433 -3.040 10.093 1.00 0.00 C ATOM 1530 O HIS A 99 -13.834 -2.932 11.165 1.00 0.00 O ATOM 1531 CB HIS A 99 -16.060 -5.000 9.898 1.00 0.00 C ATOM 1532 CG HIS A 99 -17.255 -4.246 9.372 1.00 0.00 C ATOM 1533 ND1 HIS A 99 -17.903 -4.594 8.206 1.00 0.00 N ATOM 1534 CD2 HIS A 99 -17.922 -3.171 9.858 1.00 0.00 C ATOM 1535 CE1 HIS A 99 -18.908 -3.767 7.997 1.00 0.00 C ATOM 1536 NE2 HIS A 99 -18.942 -2.895 8.986 1.00 0.00 N ATOM 0 H HIS A 99 -13.882 -5.955 10.669 1.00 0.00 H new ATOM 0 HA HIS A 99 -14.676 -4.318 8.388 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -16.125 -6.034 9.561 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -16.110 -5.016 10.987 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -17.692 -2.632 10.765 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -19.588 -3.798 7.158 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -19.618 -2.138 9.085 1.00 0.00 H new ATOM 1545 N HIS A 100 -14.902 -1.992 9.404 1.00 0.00 N ATOM 1546 CA HIS A 100 -14.737 -0.592 9.839 1.00 0.00 C ATOM 1547 C HIS A 100 -15.787 0.289 9.152 1.00 0.00 C ATOM 1548 O HIS A 100 -16.503 -0.172 8.253 1.00 0.00 O ATOM 1549 CB HIS A 100 -13.305 -0.083 9.510 1.00 0.00 C ATOM 1550 CG HIS A 100 -12.966 -0.102 8.036 1.00 0.00 C ATOM 1551 ND1 HIS A 100 -13.059 1.009 7.227 1.00 0.00 N ATOM 1552 CD2 HIS A 100 -12.556 -1.118 7.229 1.00 0.00 C ATOM 1553 CE1 HIS A 100 -12.722 0.682 5.995 1.00 0.00 C ATOM 1554 NE2 HIS A 100 -12.411 -0.596 5.972 1.00 0.00 N ATOM 0 H HIS A 100 -15.410 -2.088 8.524 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.877 -0.539 10.919 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.198 0.936 9.883 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.581 -0.696 10.046 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -13.344 1.939 7.533 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -12.379 -2.142 7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.704 1.351 5.147 1.00 0.00 H new ATOM 1563 N HIS A 101 -15.868 1.557 9.588 1.00 0.00 N ATOM 1564 CA HIS A 101 -16.710 2.584 8.941 1.00 0.00 C ATOM 1565 C HIS A 101 -15.829 3.417 7.971 1.00 0.00 C ATOM 1566 O HIS A 101 -15.368 4.519 8.341 1.00 0.00 O ATOM 1567 CB HIS A 101 -17.411 3.480 10.013 1.00 0.00 C ATOM 1568 CG HIS A 101 -18.382 2.751 10.915 1.00 0.00 C ATOM 1569 ND1 HIS A 101 -19.721 3.072 10.998 1.00 0.00 N ATOM 1570 CD2 HIS A 101 -18.193 1.741 11.801 1.00 0.00 C ATOM 1571 CE1 HIS A 101 -20.310 2.292 11.880 1.00 0.00 C ATOM 1572 NE2 HIS A 101 -19.406 1.479 12.380 1.00 0.00 N ATOM 1573 OXT HIS A 101 -15.540 2.919 6.859 1.00 0.00 O ATOM 0 H HIS A 101 -15.353 1.902 10.398 1.00 0.00 H new ATOM 0 HA HIS A 101 -17.504 2.107 8.366 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -16.645 3.949 10.631 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -17.944 4.282 9.503 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -17.261 1.238 12.010 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -21.356 2.316 12.147 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -19.581 0.765 13.088 1.00 0.00 H new TER 1582 HIS A 101