USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=19 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 70 THR OG1 : rot 84:sc= 0.795 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.0226 X(o=0.77,f=0.27) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.0307 K(o=0.11,f=-10!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0686 (180deg=-0.38) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.023) USER MOD Single : A 2 THR OG1 : rot 50:sc= 0.0495 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0869 USER MOD Single : A 4 THR OG1 : rot -173:sc= 0.134 USER MOD Single : A 10 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 15 THR OG1 : rot 75:sc= 1.03 USER MOD Single : A 16 CYS SG : rot -31:sc= 0.0692 USER MOD Single : A 22 THR OG1 : rot -53:sc= 0.986 USER MOD Single : A 24 THR OG1 : rot -170:sc= -0.0335 USER MOD Single : A 27 SER OG : rot 59:sc= 0.409 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0.554 (180deg=0.554) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= -0.0297 (180deg=-0.164) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.845 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= 1.22 (180deg=0.296) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.631 X(o=-0.63,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -114:sc= 1.81 (180deg=-0.416) USER MOD Single : A 96 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.48) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-4.5!) USER MOD Single : A 100 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=-0.1) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.603 1.251 5.151 1.00 0.00 N ATOM 2 CA MET A 1 -13.768 2.470 5.118 1.00 0.00 C ATOM 3 C MET A 1 -12.285 2.077 5.055 1.00 0.00 C ATOM 4 O MET A 1 -11.720 1.996 3.963 1.00 0.00 O ATOM 5 CB MET A 1 -14.075 3.396 6.331 1.00 0.00 C ATOM 6 CG MET A 1 -15.480 4.011 6.328 1.00 0.00 C ATOM 7 SD MET A 1 -15.789 5.068 7.767 1.00 0.00 S ATOM 8 CE MET A 1 -14.534 6.349 7.603 1.00 0.00 C ATOM 0 H1 MET A 1 -15.607 1.517 5.108 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.369 0.648 4.336 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.421 0.729 6.032 1.00 0.00 H new ATOM 0 HA MET A 1 -14.008 3.042 4.222 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.946 2.824 7.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.341 4.201 6.351 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.613 4.596 5.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.221 3.212 6.304 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.791 7.194 8.242 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.565 5.949 7.902 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.485 6.680 6.566 1.00 0.00 H new ATOM 20 N THR A 2 -11.678 1.769 6.222 1.00 0.00 N ATOM 21 CA THR A 2 -10.251 1.433 6.341 1.00 0.00 C ATOM 22 C THR A 2 -9.952 -0.005 5.840 1.00 0.00 C ATOM 23 O THR A 2 -9.801 -0.953 6.627 1.00 0.00 O ATOM 24 CB THR A 2 -9.766 1.644 7.819 1.00 0.00 C ATOM 25 OG1 THR A 2 -10.652 0.967 8.727 1.00 0.00 O ATOM 26 CG2 THR A 2 -9.706 3.134 8.196 1.00 0.00 C ATOM 0 H THR A 2 -12.174 1.748 7.113 1.00 0.00 H new ATOM 0 HA THR A 2 -9.689 2.109 5.696 1.00 0.00 H new ATOM 0 HB THR A 2 -8.760 1.231 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.780 0.042 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.366 3.235 9.227 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.012 3.650 7.532 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.698 3.575 8.096 1.00 0.00 H new ATOM 34 N SER A 3 -9.910 -0.143 4.504 1.00 0.00 N ATOM 35 CA SER A 3 -9.432 -1.351 3.809 1.00 0.00 C ATOM 36 C SER A 3 -7.899 -1.296 3.726 1.00 0.00 C ATOM 37 O SER A 3 -7.316 -0.288 4.121 1.00 0.00 O ATOM 38 CB SER A 3 -10.054 -1.403 2.394 1.00 0.00 C ATOM 39 OG SER A 3 -9.684 -0.268 1.614 1.00 0.00 O ATOM 0 H SER A 3 -10.212 0.593 3.866 1.00 0.00 H new ATOM 0 HA SER A 3 -9.728 -2.249 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.732 -2.313 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.140 -1.451 2.475 1.00 0.00 H new ATOM 0 HG SER A 3 -10.093 -0.334 0.726 1.00 0.00 H new ATOM 45 N THR A 4 -7.239 -2.350 3.201 1.00 0.00 N ATOM 46 CA THR A 4 -5.765 -2.351 3.055 1.00 0.00 C ATOM 47 C THR A 4 -5.307 -1.161 2.170 1.00 0.00 C ATOM 48 O THR A 4 -4.445 -0.396 2.582 1.00 0.00 O ATOM 49 CB THR A 4 -5.230 -3.705 2.479 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.772 -4.801 3.245 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.687 -3.776 2.510 1.00 0.00 C ATOM 0 H THR A 4 -7.695 -3.202 2.874 1.00 0.00 H new ATOM 0 HA THR A 4 -5.340 -2.235 4.052 1.00 0.00 H new ATOM 0 HB THR A 4 -5.549 -3.772 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.359 -5.640 2.952 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.358 -4.732 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.273 -2.964 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.339 -3.682 3.539 1.00 0.00 H new ATOM 59 N PHE A 5 -5.963 -0.980 1.001 1.00 0.00 N ATOM 60 CA PHE A 5 -5.699 0.155 0.082 1.00 0.00 C ATOM 61 C PHE A 5 -5.922 1.512 0.779 1.00 0.00 C ATOM 62 O PHE A 5 -5.044 2.380 0.732 1.00 0.00 O ATOM 63 CB PHE A 5 -6.578 0.047 -1.205 1.00 0.00 C ATOM 64 CG PHE A 5 -6.733 1.367 -1.993 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.641 1.962 -2.629 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.968 2.035 -2.049 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.773 3.177 -3.277 1.00 0.00 C ATOM 68 CE2 PHE A 5 -8.095 3.245 -2.711 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.998 3.814 -3.323 1.00 0.00 C ATOM 0 H PHE A 5 -6.689 -1.614 0.667 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.651 0.100 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.143 -0.705 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.568 -0.311 -0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.681 1.467 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.831 1.598 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.914 3.630 -3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.053 3.743 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.097 4.758 -3.838 1.00 0.00 H new ATOM 79 N ASP A 6 -7.099 1.674 1.411 1.00 0.00 N ATOM 80 CA ASP A 6 -7.503 2.951 2.043 1.00 0.00 C ATOM 81 C ASP A 6 -6.494 3.377 3.124 1.00 0.00 C ATOM 82 O ASP A 6 -6.105 4.544 3.195 1.00 0.00 O ATOM 83 CB ASP A 6 -8.917 2.835 2.653 1.00 0.00 C ATOM 84 CG ASP A 6 -9.397 4.134 3.340 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.896 5.050 2.645 1.00 0.00 O ATOM 86 OD2 ASP A 6 -9.262 4.255 4.580 1.00 0.00 O ATOM 0 H ASP A 6 -7.794 0.933 1.500 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.518 3.716 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.623 2.566 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.925 2.023 3.381 1.00 0.00 H new ATOM 91 N ARG A 7 -6.063 2.390 3.932 1.00 0.00 N ATOM 92 CA ARG A 7 -5.073 2.586 5.006 1.00 0.00 C ATOM 93 C ARG A 7 -3.732 3.052 4.428 1.00 0.00 C ATOM 94 O ARG A 7 -3.188 4.053 4.880 1.00 0.00 O ATOM 95 CB ARG A 7 -4.887 1.287 5.830 1.00 0.00 C ATOM 96 CG ARG A 7 -6.109 0.908 6.689 1.00 0.00 C ATOM 97 CD ARG A 7 -5.937 -0.443 7.401 1.00 0.00 C ATOM 98 NE ARG A 7 -7.044 -0.708 8.335 1.00 0.00 N ATOM 99 CZ ARG A 7 -7.075 -0.320 9.619 1.00 0.00 C ATOM 100 NH1 ARG A 7 -6.058 0.335 10.166 1.00 0.00 N ATOM 101 NH2 ARG A 7 -8.143 -0.591 10.354 1.00 0.00 N ATOM 0 H ARG A 7 -6.395 1.428 3.857 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.449 3.362 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.666 0.465 5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.020 1.403 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.281 1.687 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.995 0.870 6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.886 -1.241 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.992 -0.451 7.944 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.848 -1.225 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.232 0.553 9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.102 0.621 11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.932 -1.090 9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.177 -0.300 11.331 1.00 0.00 H new ATOM 115 N VAL A 8 -3.274 2.372 3.358 1.00 0.00 N ATOM 116 CA VAL A 8 -1.969 2.641 2.725 1.00 0.00 C ATOM 117 C VAL A 8 -1.948 4.056 2.122 1.00 0.00 C ATOM 118 O VAL A 8 -0.996 4.802 2.339 1.00 0.00 O ATOM 119 CB VAL A 8 -1.655 1.561 1.621 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.415 1.926 0.769 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.471 0.174 2.270 1.00 0.00 C ATOM 0 H VAL A 8 -3.799 1.621 2.909 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.195 2.581 3.490 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.509 1.535 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.244 1.149 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.586 2.878 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.459 2.008 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.255 -0.564 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.643 0.211 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.385 -0.107 2.794 1.00 0.00 H new ATOM 131 N ALA A 9 -3.047 4.413 1.425 1.00 0.00 N ATOM 132 CA ALA A 9 -3.237 5.735 0.792 1.00 0.00 C ATOM 133 C ALA A 9 -3.132 6.859 1.832 1.00 0.00 C ATOM 134 O ALA A 9 -2.496 7.892 1.588 1.00 0.00 O ATOM 135 CB ALA A 9 -4.606 5.814 0.079 1.00 0.00 C ATOM 0 H ALA A 9 -3.837 3.783 1.284 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.447 5.862 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.722 6.796 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.659 5.046 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.404 5.656 0.805 1.00 0.00 H new ATOM 141 N THR A 10 -3.764 6.624 2.997 1.00 0.00 N ATOM 142 CA THR A 10 -3.781 7.577 4.112 1.00 0.00 C ATOM 143 C THR A 10 -2.385 7.720 4.754 1.00 0.00 C ATOM 144 O THR A 10 -1.976 8.833 5.061 1.00 0.00 O ATOM 145 CB THR A 10 -4.842 7.181 5.188 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.108 6.927 4.550 1.00 0.00 O ATOM 147 CG2 THR A 10 -5.035 8.278 6.252 1.00 0.00 C ATOM 0 H THR A 10 -4.278 5.764 3.188 1.00 0.00 H new ATOM 0 HA THR A 10 -4.064 8.546 3.700 1.00 0.00 H new ATOM 0 HB THR A 10 -4.473 6.286 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.031 6.139 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.782 7.955 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.089 8.460 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.370 9.197 5.771 1.00 0.00 H new ATOM 155 N ILE A 11 -1.658 6.601 4.928 1.00 0.00 N ATOM 156 CA ILE A 11 -0.274 6.622 5.458 1.00 0.00 C ATOM 157 C ILE A 11 0.653 7.444 4.536 1.00 0.00 C ATOM 158 O ILE A 11 1.439 8.265 5.018 1.00 0.00 O ATOM 159 CB ILE A 11 0.305 5.167 5.637 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.606 4.324 6.584 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.761 5.201 6.174 1.00 0.00 C ATOM 162 CD1 ILE A 11 -0.289 2.835 6.650 1.00 0.00 C ATOM 0 H ILE A 11 -2.004 5.666 4.710 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.313 7.095 6.439 1.00 0.00 H new ATOM 0 HB ILE A 11 0.320 4.693 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.534 4.737 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.641 4.443 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.131 4.182 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.395 5.742 5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.780 5.703 7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.981 2.346 7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.391 2.397 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.732 2.696 7.004 1.00 0.00 H new ATOM 174 N ILE A 12 0.516 7.228 3.211 1.00 0.00 N ATOM 175 CA ILE A 12 1.245 7.997 2.180 1.00 0.00 C ATOM 176 C ILE A 12 0.960 9.507 2.340 1.00 0.00 C ATOM 177 O ILE A 12 1.884 10.323 2.359 1.00 0.00 O ATOM 178 CB ILE A 12 0.851 7.532 0.716 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.231 6.034 0.479 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.485 8.434 -0.373 1.00 0.00 C ATOM 181 CD1 ILE A 12 0.938 5.500 -0.913 1.00 0.00 C ATOM 0 H ILE A 12 -0.103 6.515 2.825 1.00 0.00 H new ATOM 0 HA ILE A 12 2.309 7.809 2.321 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.231 7.632 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.295 5.910 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.696 5.422 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.188 8.078 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.143 9.460 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.571 8.399 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.238 4.454 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.129 5.583 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.495 6.079 -1.650 1.00 0.00 H new ATOM 193 N ALA A 13 -0.332 9.831 2.489 1.00 0.00 N ATOM 194 CA ALA A 13 -0.830 11.199 2.698 1.00 0.00 C ATOM 195 C ALA A 13 -0.211 11.894 3.926 1.00 0.00 C ATOM 196 O ALA A 13 0.301 13.012 3.820 1.00 0.00 O ATOM 197 CB ALA A 13 -2.353 11.162 2.839 1.00 0.00 C ATOM 0 H ALA A 13 -1.077 9.134 2.467 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.533 11.785 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.729 12.173 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.792 10.747 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.624 10.539 3.691 1.00 0.00 H new ATOM 203 N GLU A 14 -0.271 11.210 5.081 1.00 0.00 N ATOM 204 CA GLU A 14 0.193 11.735 6.381 1.00 0.00 C ATOM 205 C GLU A 14 1.717 11.957 6.399 1.00 0.00 C ATOM 206 O GLU A 14 2.210 12.848 7.103 1.00 0.00 O ATOM 207 CB GLU A 14 -0.217 10.748 7.516 1.00 0.00 C ATOM 208 CG GLU A 14 -1.738 10.556 7.665 1.00 0.00 C ATOM 209 CD GLU A 14 -2.112 9.462 8.676 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.105 8.263 8.307 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.378 9.789 9.850 1.00 0.00 O ATOM 0 H GLU A 14 -0.648 10.264 5.141 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.280 12.704 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.243 9.779 7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.187 11.111 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.188 11.499 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.163 10.305 6.693 1.00 0.00 H new ATOM 218 N THR A 15 2.454 11.134 5.625 1.00 0.00 N ATOM 219 CA THR A 15 3.923 11.223 5.546 1.00 0.00 C ATOM 220 C THR A 15 4.361 12.316 4.544 1.00 0.00 C ATOM 221 O THR A 15 5.213 13.148 4.863 1.00 0.00 O ATOM 222 CB THR A 15 4.569 9.850 5.142 1.00 0.00 C ATOM 223 OG1 THR A 15 4.039 8.798 5.965 1.00 0.00 O ATOM 224 CG2 THR A 15 6.107 9.861 5.289 1.00 0.00 C ATOM 0 H THR A 15 2.052 10.398 5.044 1.00 0.00 H new ATOM 0 HA THR A 15 4.276 11.489 6.542 1.00 0.00 H new ATOM 0 HB THR A 15 4.325 9.681 4.093 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.124 8.590 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.507 8.890 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.528 10.634 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.372 10.067 6.326 1.00 0.00 H new ATOM 232 N CYS A 16 3.743 12.328 3.346 1.00 0.00 N ATOM 233 CA CYS A 16 4.200 13.146 2.199 1.00 0.00 C ATOM 234 C CYS A 16 3.489 14.517 2.140 1.00 0.00 C ATOM 235 O CYS A 16 3.881 15.377 1.338 1.00 0.00 O ATOM 236 CB CYS A 16 3.942 12.359 0.889 1.00 0.00 C ATOM 237 SG CYS A 16 4.625 13.116 -0.602 1.00 0.00 S ATOM 0 H CYS A 16 2.912 11.771 3.144 1.00 0.00 H new ATOM 0 HA CYS A 16 5.265 13.343 2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.361 11.358 0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.866 12.242 0.759 1.00 0.00 H new ATOM 0 HG CYS A 16 4.624 14.409 -0.472 1.00 0.00 H new ATOM 243 N ASP A 17 2.464 14.716 3.007 1.00 0.00 N ATOM 244 CA ASP A 17 1.567 15.901 2.994 1.00 0.00 C ATOM 245 C ASP A 17 0.876 16.073 1.629 1.00 0.00 C ATOM 246 O ASP A 17 1.206 16.969 0.840 1.00 0.00 O ATOM 247 CB ASP A 17 2.284 17.202 3.455 1.00 0.00 C ATOM 248 CG ASP A 17 2.696 17.159 4.934 1.00 0.00 C ATOM 249 OD1 ASP A 17 1.867 17.513 5.801 1.00 0.00 O ATOM 250 OD2 ASP A 17 3.840 16.756 5.240 1.00 0.00 O ATOM 0 H ASP A 17 2.234 14.050 3.744 1.00 0.00 H new ATOM 0 HA ASP A 17 0.787 15.710 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.170 17.362 2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.624 18.054 3.290 1.00 0.00 H new ATOM 255 N ILE A 18 -0.050 15.143 1.353 1.00 0.00 N ATOM 256 CA ILE A 18 -0.888 15.111 0.134 1.00 0.00 C ATOM 257 C ILE A 18 -2.299 14.594 0.516 1.00 0.00 C ATOM 258 O ILE A 18 -2.428 13.892 1.519 1.00 0.00 O ATOM 259 CB ILE A 18 -0.248 14.208 -1.007 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.259 12.836 -0.446 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.890 14.951 -1.748 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.835 11.893 -1.495 1.00 0.00 C ATOM 0 H ILE A 18 -0.246 14.368 1.987 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.956 16.121 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.039 14.000 -1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.022 13.027 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.569 12.336 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.304 14.304 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.494 15.857 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.674 15.216 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.160 10.970 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.071 11.666 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.687 12.368 -1.983 1.00 0.00 H new ATOM 274 N PRO A 19 -3.394 14.983 -0.215 1.00 0.00 N ATOM 275 CA PRO A 19 -4.749 14.435 0.048 1.00 0.00 C ATOM 276 C PRO A 19 -4.887 12.976 -0.462 1.00 0.00 C ATOM 277 O PRO A 19 -4.811 12.731 -1.664 1.00 0.00 O ATOM 278 CB PRO A 19 -5.682 15.413 -0.715 1.00 0.00 C ATOM 279 CG PRO A 19 -4.835 15.967 -1.827 1.00 0.00 C ATOM 280 CD PRO A 19 -3.409 15.998 -1.309 1.00 0.00 C ATOM 0 HA PRO A 19 -4.986 14.372 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.560 14.898 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.043 16.206 -0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.910 15.345 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.168 16.967 -2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.695 15.748 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.142 16.987 -0.938 1.00 0.00 H new ATOM 288 N ARG A 20 -5.122 12.022 0.467 1.00 0.00 N ATOM 289 CA ARG A 20 -5.244 10.568 0.157 1.00 0.00 C ATOM 290 C ARG A 20 -6.440 10.245 -0.766 1.00 0.00 C ATOM 291 O ARG A 20 -6.489 9.163 -1.367 1.00 0.00 O ATOM 292 CB ARG A 20 -5.311 9.728 1.477 1.00 0.00 C ATOM 293 CG ARG A 20 -6.393 10.152 2.512 1.00 0.00 C ATOM 294 CD ARG A 20 -7.798 9.563 2.235 1.00 0.00 C ATOM 295 NE ARG A 20 -8.116 8.393 3.084 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.037 8.379 4.061 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.731 9.472 4.363 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.259 7.268 4.732 1.00 0.00 N ATOM 0 H ARG A 20 -5.234 12.234 1.459 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.347 10.288 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.483 8.685 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.336 9.776 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.071 9.842 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.463 11.240 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.548 10.337 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.863 9.272 1.187 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.596 7.532 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.567 10.338 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.427 9.444 5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.732 6.423 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.957 7.252 5.475 1.00 0.00 H new ATOM 312 N GLU A 21 -7.390 11.190 -0.874 1.00 0.00 N ATOM 313 CA GLU A 21 -8.624 11.010 -1.654 1.00 0.00 C ATOM 314 C GLU A 21 -8.322 11.113 -3.160 1.00 0.00 C ATOM 315 O GLU A 21 -9.012 10.500 -3.979 1.00 0.00 O ATOM 316 CB GLU A 21 -9.678 12.061 -1.219 1.00 0.00 C ATOM 317 CG GLU A 21 -9.259 13.534 -1.438 1.00 0.00 C ATOM 318 CD GLU A 21 -10.304 14.528 -0.932 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.328 14.803 0.290 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.128 15.016 -1.737 1.00 0.00 O ATOM 0 H GLU A 21 -7.322 12.102 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.031 10.017 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.602 11.876 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.900 11.915 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.313 13.718 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.087 13.704 -2.501 1.00 0.00 H new ATOM 327 N THR A 22 -7.251 11.868 -3.508 1.00 0.00 N ATOM 328 CA THR A 22 -6.810 12.046 -4.906 1.00 0.00 C ATOM 329 C THR A 22 -5.913 10.870 -5.350 1.00 0.00 C ATOM 330 O THR A 22 -5.540 10.778 -6.526 1.00 0.00 O ATOM 331 CB THR A 22 -6.062 13.410 -5.108 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.850 13.434 -4.351 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.933 14.611 -4.691 1.00 0.00 C ATOM 0 H THR A 22 -6.675 12.366 -2.830 1.00 0.00 H new ATOM 0 HA THR A 22 -7.703 12.061 -5.530 1.00 0.00 H new ATOM 0 HB THR A 22 -5.840 13.494 -6.172 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.045 13.220 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.377 15.535 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.841 14.628 -5.293 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.198 14.520 -3.638 1.00 0.00 H new ATOM 341 N ILE A 23 -5.588 9.967 -4.397 1.00 0.00 N ATOM 342 CA ILE A 23 -4.837 8.736 -4.664 1.00 0.00 C ATOM 343 C ILE A 23 -5.854 7.632 -5.054 1.00 0.00 C ATOM 344 O ILE A 23 -6.766 7.324 -4.281 1.00 0.00 O ATOM 345 CB ILE A 23 -3.968 8.294 -3.400 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.661 9.156 -3.237 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.614 6.793 -3.439 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.857 10.620 -2.901 1.00 0.00 C ATOM 0 H ILE A 23 -5.845 10.080 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.133 8.905 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.597 8.475 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.050 8.705 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.091 9.092 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.022 6.536 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.531 6.203 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.038 6.578 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.886 11.107 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.435 11.100 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.392 10.708 -1.955 1.00 0.00 H new ATOM 360 N THR A 24 -5.703 7.079 -6.268 1.00 0.00 N ATOM 361 CA THR A 24 -6.545 5.974 -6.778 1.00 0.00 C ATOM 362 C THR A 24 -5.770 4.638 -6.658 1.00 0.00 C ATOM 363 O THR A 24 -4.557 4.666 -6.411 1.00 0.00 O ATOM 364 CB THR A 24 -6.950 6.253 -8.269 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.772 6.328 -9.087 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.766 7.555 -8.406 1.00 0.00 C ATOM 0 H THR A 24 -4.990 7.385 -6.931 1.00 0.00 H new ATOM 0 HA THR A 24 -7.457 5.904 -6.185 1.00 0.00 H new ATOM 0 HB THR A 24 -7.580 5.429 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.013 6.656 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.027 7.712 -9.453 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.677 7.478 -7.813 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.171 8.396 -8.050 1.00 0.00 H new ATOM 374 N PRO A 25 -6.432 3.434 -6.815 1.00 0.00 N ATOM 375 CA PRO A 25 -5.711 2.137 -6.814 1.00 0.00 C ATOM 376 C PRO A 25 -4.767 1.976 -8.029 1.00 0.00 C ATOM 377 O PRO A 25 -3.850 1.167 -7.981 1.00 0.00 O ATOM 378 CB PRO A 25 -6.847 1.081 -6.819 1.00 0.00 C ATOM 379 CG PRO A 25 -8.009 1.795 -7.435 1.00 0.00 C ATOM 380 CD PRO A 25 -7.905 3.225 -6.956 1.00 0.00 C ATOM 0 HA PRO A 25 -5.048 2.040 -5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.569 0.200 -7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.078 0.740 -5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.970 1.742 -8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.953 1.346 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.344 3.921 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.424 3.371 -6.009 1.00 0.00 H new ATOM 388 N GLU A 26 -4.953 2.792 -9.085 1.00 0.00 N ATOM 389 CA GLU A 26 -4.131 2.705 -10.315 1.00 0.00 C ATOM 390 C GLU A 26 -2.983 3.739 -10.268 1.00 0.00 C ATOM 391 O GLU A 26 -2.160 3.804 -11.192 1.00 0.00 O ATOM 392 CB GLU A 26 -5.021 2.918 -11.568 1.00 0.00 C ATOM 393 CG GLU A 26 -5.685 4.309 -11.674 1.00 0.00 C ATOM 394 CD GLU A 26 -6.640 4.431 -12.871 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.185 4.760 -13.989 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.850 4.165 -12.707 1.00 0.00 O ATOM 0 H GLU A 26 -5.666 3.521 -9.114 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.688 1.711 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.413 2.754 -12.458 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.803 2.159 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.235 4.513 -10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.909 5.070 -11.757 1.00 0.00 H new ATOM 403 N SER A 27 -2.922 4.508 -9.162 1.00 0.00 N ATOM 404 CA SER A 27 -1.922 5.565 -8.953 1.00 0.00 C ATOM 405 C SER A 27 -0.543 4.941 -8.673 1.00 0.00 C ATOM 406 O SER A 27 -0.427 4.052 -7.823 1.00 0.00 O ATOM 407 CB SER A 27 -2.363 6.461 -7.772 1.00 0.00 C ATOM 408 OG SER A 27 -1.427 7.485 -7.510 1.00 0.00 O ATOM 0 H SER A 27 -3.574 4.409 -8.384 1.00 0.00 H new ATOM 0 HA SER A 27 -1.844 6.175 -9.853 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.333 6.905 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.490 5.848 -6.879 1.00 0.00 H new ATOM 0 HG SER A 27 -1.314 8.038 -8.311 1.00 0.00 H new ATOM 414 N HIS A 28 0.475 5.380 -9.428 1.00 0.00 N ATOM 415 CA HIS A 28 1.870 4.989 -9.194 1.00 0.00 C ATOM 416 C HIS A 28 2.499 5.953 -8.171 1.00 0.00 C ATOM 417 O HIS A 28 2.594 7.149 -8.436 1.00 0.00 O ATOM 418 CB HIS A 28 2.669 5.014 -10.520 1.00 0.00 C ATOM 419 CG HIS A 28 3.966 4.255 -10.425 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.009 4.701 -9.663 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.297 3.071 -10.957 1.00 0.00 C ATOM 422 CE1 HIS A 28 5.940 3.776 -9.747 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.556 2.767 -10.525 1.00 0.00 N ATOM 0 H HIS A 28 0.353 6.015 -10.217 1.00 0.00 H new ATOM 0 HA HIS A 28 1.899 3.973 -8.801 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.059 4.587 -11.316 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.876 6.048 -10.797 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.681 2.468 -11.608 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.896 3.829 -9.247 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.095 1.932 -10.753 1.00 0.00 H new ATOM 431 N ALA A 29 2.908 5.434 -7.009 1.00 0.00 N ATOM 432 CA ALA A 29 3.519 6.232 -5.927 1.00 0.00 C ATOM 433 C ALA A 29 4.759 7.050 -6.378 1.00 0.00 C ATOM 434 O ALA A 29 4.933 8.192 -5.964 1.00 0.00 O ATOM 435 CB ALA A 29 3.872 5.301 -4.757 1.00 0.00 C ATOM 0 H ALA A 29 2.826 4.442 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 29 2.784 6.973 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.324 5.882 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.966 4.818 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.577 4.542 -5.096 1.00 0.00 H new ATOM 441 N ILE A 30 5.564 6.488 -7.287 1.00 0.00 N ATOM 442 CA ILE A 30 6.879 7.070 -7.653 1.00 0.00 C ATOM 443 C ILE A 30 6.733 8.002 -8.879 1.00 0.00 C ATOM 444 O ILE A 30 7.257 9.121 -8.903 1.00 0.00 O ATOM 445 CB ILE A 30 7.936 5.940 -7.985 1.00 0.00 C ATOM 446 CG1 ILE A 30 7.941 4.804 -6.905 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.357 6.525 -8.180 1.00 0.00 C ATOM 448 CD1 ILE A 30 8.306 5.241 -5.507 1.00 0.00 C ATOM 0 H ILE A 30 5.336 5.630 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 30 7.234 7.642 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 30 7.627 5.492 -8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.952 4.347 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.641 4.030 -7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.055 5.719 -8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.347 7.238 -9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.671 7.031 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.280 4.381 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.309 5.668 -5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.593 5.990 -5.162 1.00 0.00 H new ATOM 460 N ASP A 31 5.984 7.517 -9.880 1.00 0.00 N ATOM 461 CA ASP A 31 5.910 8.121 -11.231 1.00 0.00 C ATOM 462 C ASP A 31 4.708 9.081 -11.359 1.00 0.00 C ATOM 463 O ASP A 31 4.812 10.132 -11.999 1.00 0.00 O ATOM 464 CB ASP A 31 5.822 6.987 -12.287 1.00 0.00 C ATOM 465 CG ASP A 31 5.853 7.486 -13.745 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.964 7.689 -14.287 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.785 7.654 -14.364 1.00 0.00 O ATOM 0 H ASP A 31 5.403 6.685 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 31 6.810 8.712 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.650 6.295 -12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.902 6.424 -12.126 1.00 0.00 H new ATOM 472 N ASP A 32 3.570 8.711 -10.747 1.00 0.00 N ATOM 473 CA ASP A 32 2.316 9.490 -10.846 1.00 0.00 C ATOM 474 C ASP A 32 2.244 10.546 -9.731 1.00 0.00 C ATOM 475 O ASP A 32 2.009 11.732 -9.992 1.00 0.00 O ATOM 476 CB ASP A 32 1.097 8.534 -10.791 1.00 0.00 C ATOM 477 CG ASP A 32 -0.257 9.258 -10.856 1.00 0.00 C ATOM 478 OD1 ASP A 32 -0.638 9.726 -11.949 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.933 9.372 -9.814 1.00 0.00 O ATOM 0 H ASP A 32 3.489 7.871 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 32 2.299 10.016 -11.800 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.162 7.828 -11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.144 7.951 -9.871 1.00 0.00 H new ATOM 484 N LEU A 33 2.467 10.099 -8.481 1.00 0.00 N ATOM 485 CA LEU A 33 2.468 10.978 -7.288 1.00 0.00 C ATOM 486 C LEU A 33 3.785 11.773 -7.184 1.00 0.00 C ATOM 487 O LEU A 33 3.864 12.752 -6.430 1.00 0.00 O ATOM 488 CB LEU A 33 2.220 10.143 -6.002 1.00 0.00 C ATOM 489 CG LEU A 33 0.874 9.351 -5.953 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.743 8.529 -4.650 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.338 10.292 -6.154 1.00 0.00 C ATOM 0 H LEU A 33 2.652 9.119 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 33 1.656 11.698 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.041 9.435 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.256 10.814 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 33 0.882 8.642 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.206 7.992 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.564 7.815 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.778 9.200 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.260 9.712 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.349 11.044 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.260 10.784 -7.124 1.00 0.00 H new ATOM 503 N GLY A 34 4.800 11.340 -7.961 1.00 0.00 N ATOM 504 CA GLY A 34 6.110 11.991 -7.997 1.00 0.00 C ATOM 505 C GLY A 34 6.870 11.941 -6.678 1.00 0.00 C ATOM 506 O GLY A 34 7.682 12.826 -6.401 1.00 0.00 O ATOM 0 H GLY A 34 4.727 10.530 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.716 11.519 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.977 13.033 -8.287 1.00 0.00 H new ATOM 510 N ILE A 35 6.612 10.905 -5.862 1.00 0.00 N ATOM 511 CA ILE A 35 7.238 10.759 -4.537 1.00 0.00 C ATOM 512 C ILE A 35 8.678 10.270 -4.720 1.00 0.00 C ATOM 513 O ILE A 35 8.902 9.240 -5.377 1.00 0.00 O ATOM 514 CB ILE A 35 6.438 9.746 -3.636 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.973 10.252 -3.420 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.150 9.499 -2.282 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.046 9.260 -2.736 1.00 0.00 C ATOM 0 H ILE A 35 5.968 10.150 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 35 7.230 11.727 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 35 6.401 8.789 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.004 11.166 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.549 10.515 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.568 8.795 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.143 9.087 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.241 10.441 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.055 9.701 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.978 8.353 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.440 9.014 -1.750 1.00 0.00 H new ATOM 529 N ASP A 36 9.636 11.025 -4.149 1.00 0.00 N ATOM 530 CA ASP A 36 11.068 10.684 -4.188 1.00 0.00 C ATOM 531 C ASP A 36 11.323 9.408 -3.365 1.00 0.00 C ATOM 532 O ASP A 36 10.589 9.123 -2.421 1.00 0.00 O ATOM 533 CB ASP A 36 11.933 11.867 -3.660 1.00 0.00 C ATOM 534 CG ASP A 36 13.422 11.764 -4.047 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.152 10.926 -3.468 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.867 12.502 -4.947 1.00 0.00 O ATOM 0 H ASP A 36 9.436 11.890 -3.647 1.00 0.00 H new ATOM 0 HA ASP A 36 11.357 10.498 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.529 12.802 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.851 11.910 -2.574 1.00 0.00 H new ATOM 541 N SER A 37 12.375 8.673 -3.733 1.00 0.00 N ATOM 542 CA SER A 37 12.713 7.382 -3.129 1.00 0.00 C ATOM 543 C SER A 37 13.132 7.520 -1.646 1.00 0.00 C ATOM 544 O SER A 37 12.959 6.572 -0.872 1.00 0.00 O ATOM 545 CB SER A 37 13.823 6.706 -3.961 1.00 0.00 C ATOM 546 OG SER A 37 13.441 6.610 -5.322 1.00 0.00 O ATOM 0 H SER A 37 13.023 8.960 -4.466 1.00 0.00 H new ATOM 0 HA SER A 37 11.821 6.756 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.747 7.278 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.027 5.711 -3.564 1.00 0.00 H new ATOM 0 HG SER A 37 14.158 6.180 -5.834 1.00 0.00 H new ATOM 552 N LEU A 38 13.654 8.711 -1.253 1.00 0.00 N ATOM 553 CA LEU A 38 14.055 8.983 0.148 1.00 0.00 C ATOM 554 C LEU A 38 12.799 9.201 1.021 1.00 0.00 C ATOM 555 O LEU A 38 12.778 8.825 2.201 1.00 0.00 O ATOM 556 CB LEU A 38 15.062 10.191 0.222 1.00 0.00 C ATOM 557 CG LEU A 38 14.555 11.632 -0.202 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.904 12.416 0.962 1.00 0.00 C ATOM 559 CD2 LEU A 38 15.694 12.470 -0.833 1.00 0.00 C ATOM 0 H LEU A 38 13.806 9.495 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 38 14.585 8.117 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.424 10.257 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.920 9.945 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 38 13.780 11.462 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.579 13.393 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.044 11.862 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.630 12.546 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.312 13.452 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.502 12.587 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.071 11.962 -1.721 1.00 0.00 H new ATOM 571 N ASP A 39 11.754 9.800 0.404 1.00 0.00 N ATOM 572 CA ASP A 39 10.438 10.024 1.046 1.00 0.00 C ATOM 573 C ASP A 39 9.668 8.708 1.139 1.00 0.00 C ATOM 574 O ASP A 39 9.068 8.413 2.171 1.00 0.00 O ATOM 575 CB ASP A 39 9.590 11.058 0.249 1.00 0.00 C ATOM 576 CG ASP A 39 10.182 12.472 0.261 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.853 13.255 1.177 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.981 12.811 -0.636 1.00 0.00 O ATOM 0 H ASP A 39 11.800 10.142 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 39 10.619 10.418 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.496 10.721 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.584 11.090 0.667 1.00 0.00 H new ATOM 583 N PHE A 40 9.716 7.912 0.049 1.00 0.00 N ATOM 584 CA PHE A 40 8.994 6.633 -0.040 1.00 0.00 C ATOM 585 C PHE A 40 9.643 5.581 0.873 1.00 0.00 C ATOM 586 O PHE A 40 8.999 4.604 1.245 1.00 0.00 O ATOM 587 CB PHE A 40 8.910 6.125 -1.509 1.00 0.00 C ATOM 588 CG PHE A 40 7.901 4.982 -1.690 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.529 5.246 -1.699 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.316 3.651 -1.792 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.609 4.220 -1.818 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.392 2.628 -1.919 1.00 0.00 C ATOM 593 CZ PHE A 40 6.038 2.910 -1.921 1.00 0.00 C ATOM 0 H PHE A 40 10.254 8.140 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 40 7.973 6.801 0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.632 6.954 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.896 5.786 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.182 6.265 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.370 3.418 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.552 4.443 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.729 1.607 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.318 2.109 -2.003 1.00 0.00 H new ATOM 603 N LEU A 41 10.928 5.783 1.219 1.00 0.00 N ATOM 604 CA LEU A 41 11.614 4.970 2.242 1.00 0.00 C ATOM 605 C LEU A 41 10.848 5.119 3.583 1.00 0.00 C ATOM 606 O LEU A 41 10.535 4.124 4.228 1.00 0.00 O ATOM 607 CB LEU A 41 13.106 5.418 2.392 1.00 0.00 C ATOM 608 CG LEU A 41 14.162 4.331 2.832 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.579 4.940 2.928 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.794 3.612 4.154 1.00 0.00 C ATOM 0 H LEU A 41 11.515 6.506 0.803 1.00 0.00 H new ATOM 0 HA LEU A 41 11.620 3.922 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.429 5.831 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.140 6.230 3.118 1.00 0.00 H new ATOM 0 HG LEU A 41 14.149 3.571 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.286 4.169 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.871 5.336 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.580 5.745 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.563 2.879 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.724 4.344 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.835 3.107 4.039 1.00 0.00 H new ATOM 622 N ASP A 42 10.525 6.381 3.941 1.00 0.00 N ATOM 623 CA ASP A 42 9.797 6.729 5.188 1.00 0.00 C ATOM 624 C ASP A 42 8.331 6.309 5.114 1.00 0.00 C ATOM 625 O ASP A 42 7.751 5.890 6.122 1.00 0.00 O ATOM 626 CB ASP A 42 9.862 8.246 5.466 1.00 0.00 C ATOM 627 CG ASP A 42 11.295 8.767 5.601 1.00 0.00 C ATOM 628 OD1 ASP A 42 12.021 8.290 6.501 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.692 9.662 4.839 1.00 0.00 O ATOM 0 H ASP A 42 10.762 7.194 3.372 1.00 0.00 H new ATOM 0 HA ASP A 42 10.286 6.188 5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.361 8.780 4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.313 8.466 6.382 1.00 0.00 H new ATOM 634 N ILE A 43 7.736 6.446 3.914 1.00 0.00 N ATOM 635 CA ILE A 43 6.336 6.059 3.663 1.00 0.00 C ATOM 636 C ILE A 43 6.163 4.545 3.861 1.00 0.00 C ATOM 637 O ILE A 43 5.293 4.113 4.617 1.00 0.00 O ATOM 638 CB ILE A 43 5.869 6.480 2.217 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.803 8.034 2.092 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.524 5.824 1.826 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.319 8.562 0.752 1.00 0.00 C ATOM 0 H ILE A 43 8.210 6.826 3.095 1.00 0.00 H new ATOM 0 HA ILE A 43 5.708 6.588 4.380 1.00 0.00 H new ATOM 0 HB ILE A 43 6.613 6.112 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.145 8.416 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.796 8.439 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.242 6.143 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.629 4.739 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.752 6.127 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.311 9.652 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.987 8.218 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.311 8.195 0.559 1.00 0.00 H new ATOM 653 N ALA A 44 7.047 3.765 3.216 1.00 0.00 N ATOM 654 CA ALA A 44 7.001 2.297 3.248 1.00 0.00 C ATOM 655 C ALA A 44 7.383 1.793 4.645 1.00 0.00 C ATOM 656 O ALA A 44 6.876 0.781 5.090 1.00 0.00 O ATOM 657 CB ALA A 44 7.932 1.700 2.173 1.00 0.00 C ATOM 0 H ALA A 44 7.815 4.138 2.657 1.00 0.00 H new ATOM 0 HA ALA A 44 5.985 1.971 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.883 0.612 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.615 2.041 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.956 2.025 2.358 1.00 0.00 H new ATOM 663 N PHE A 45 8.295 2.531 5.305 1.00 0.00 N ATOM 664 CA PHE A 45 8.697 2.302 6.709 1.00 0.00 C ATOM 665 C PHE A 45 7.493 2.456 7.661 1.00 0.00 C ATOM 666 O PHE A 45 7.331 1.671 8.584 1.00 0.00 O ATOM 667 CB PHE A 45 9.824 3.303 7.088 1.00 0.00 C ATOM 668 CG PHE A 45 10.562 3.033 8.402 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.643 2.153 8.443 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.200 3.680 9.584 1.00 0.00 C ATOM 671 CE1 PHE A 45 12.336 1.931 9.615 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.892 3.452 10.760 1.00 0.00 C ATOM 673 CZ PHE A 45 11.961 2.581 10.774 1.00 0.00 C ATOM 0 H PHE A 45 8.782 3.316 4.872 1.00 0.00 H new ATOM 0 HA PHE A 45 9.068 1.282 6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.557 3.314 6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.391 4.302 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.942 1.637 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.368 4.368 9.581 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.173 1.248 9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.595 3.956 11.668 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.505 2.407 11.691 1.00 0.00 H new ATOM 683 N ALA A 46 6.645 3.465 7.405 1.00 0.00 N ATOM 684 CA ALA A 46 5.472 3.757 8.258 1.00 0.00 C ATOM 685 C ALA A 46 4.333 2.744 8.012 1.00 0.00 C ATOM 686 O ALA A 46 3.615 2.375 8.947 1.00 0.00 O ATOM 687 CB ALA A 46 4.996 5.197 8.025 1.00 0.00 C ATOM 0 H ALA A 46 6.747 4.097 6.611 1.00 0.00 H new ATOM 0 HA ALA A 46 5.772 3.657 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.132 5.402 8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.800 5.890 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.717 5.323 6.979 1.00 0.00 H new ATOM 693 N ILE A 47 4.181 2.314 6.743 1.00 0.00 N ATOM 694 CA ILE A 47 3.227 1.249 6.347 1.00 0.00 C ATOM 695 C ILE A 47 3.647 -0.095 6.977 1.00 0.00 C ATOM 696 O ILE A 47 2.815 -0.852 7.481 1.00 0.00 O ATOM 697 CB ILE A 47 3.166 1.086 4.777 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.681 2.395 4.079 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.269 -0.104 4.375 1.00 0.00 C ATOM 700 CD1 ILE A 47 2.788 2.389 2.556 1.00 0.00 C ATOM 0 H ILE A 47 4.715 2.693 5.961 1.00 0.00 H new ATOM 0 HA ILE A 47 2.239 1.538 6.706 1.00 0.00 H new ATOM 0 HB ILE A 47 4.181 0.883 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.642 2.573 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.261 3.232 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.246 -0.192 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.669 -1.022 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.258 0.061 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.428 3.340 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.829 2.246 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.184 1.577 2.152 1.00 0.00 H new ATOM 712 N ASP A 48 4.958 -0.344 6.918 1.00 0.00 N ATOM 713 CA ASP A 48 5.636 -1.521 7.491 1.00 0.00 C ATOM 714 C ASP A 48 5.232 -1.718 8.967 1.00 0.00 C ATOM 715 O ASP A 48 4.762 -2.788 9.358 1.00 0.00 O ATOM 716 CB ASP A 48 7.165 -1.274 7.348 1.00 0.00 C ATOM 717 CG ASP A 48 8.093 -2.390 7.830 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.231 -2.578 9.053 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.733 -3.052 6.992 1.00 0.00 O ATOM 0 H ASP A 48 5.606 0.291 6.452 1.00 0.00 H new ATOM 0 HA ASP A 48 5.349 -2.433 6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.381 -1.083 6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.415 -0.365 7.895 1.00 0.00 H new ATOM 724 N LYS A 49 5.381 -0.638 9.755 1.00 0.00 N ATOM 725 CA LYS A 49 5.102 -0.663 11.208 1.00 0.00 C ATOM 726 C LYS A 49 3.584 -0.691 11.486 1.00 0.00 C ATOM 727 O LYS A 49 3.145 -1.334 12.442 1.00 0.00 O ATOM 728 CB LYS A 49 5.766 0.539 11.944 1.00 0.00 C ATOM 729 CG LYS A 49 7.248 0.811 11.580 1.00 0.00 C ATOM 730 CD LYS A 49 8.132 -0.454 11.596 1.00 0.00 C ATOM 731 CE LYS A 49 9.535 -0.216 11.010 1.00 0.00 C ATOM 732 NZ LYS A 49 10.286 -1.487 10.868 1.00 0.00 N ATOM 0 H LYS A 49 5.695 0.269 9.410 1.00 0.00 H new ATOM 0 HA LYS A 49 5.541 -1.580 11.600 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.187 1.438 11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.700 0.366 13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.293 1.262 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.657 1.539 12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.229 -0.810 12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.637 -1.243 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.447 0.267 10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.089 0.466 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.227 -1.292 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.390 -1.935 11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.768 -2.127 10.233 1.00 0.00 H new ATOM 746 N ALA A 50 2.801 0.012 10.641 1.00 0.00 N ATOM 747 CA ALA A 50 1.324 0.082 10.774 1.00 0.00 C ATOM 748 C ALA A 50 0.667 -1.302 10.601 1.00 0.00 C ATOM 749 O ALA A 50 -0.235 -1.676 11.357 1.00 0.00 O ATOM 750 CB ALA A 50 0.738 1.069 9.747 1.00 0.00 C ATOM 0 H ALA A 50 3.168 0.544 9.852 1.00 0.00 H new ATOM 0 HA ALA A 50 1.106 0.435 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.346 1.109 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.157 2.061 9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.988 0.737 8.739 1.00 0.00 H new ATOM 756 N PHE A 51 1.136 -2.045 9.586 1.00 0.00 N ATOM 757 CA PHE A 51 0.622 -3.383 9.240 1.00 0.00 C ATOM 758 C PHE A 51 1.431 -4.494 9.928 1.00 0.00 C ATOM 759 O PHE A 51 1.122 -5.672 9.729 1.00 0.00 O ATOM 760 CB PHE A 51 0.611 -3.573 7.700 1.00 0.00 C ATOM 761 CG PHE A 51 -0.488 -2.782 6.987 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.289 -1.463 6.581 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.726 -3.372 6.721 1.00 0.00 C ATOM 764 CE1 PHE A 51 -1.289 -0.764 5.928 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.721 -2.675 6.065 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.502 -1.372 5.669 1.00 0.00 C ATOM 0 H PHE A 51 1.891 -1.732 8.975 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.402 -3.456 9.606 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.579 -3.273 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.487 -4.632 7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.657 -0.981 6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.908 -4.390 7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.121 0.258 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.670 -3.149 5.862 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.280 -0.826 5.156 1.00 0.00 H new ATOM 776 N GLY A 52 2.466 -4.110 10.711 1.00 0.00 N ATOM 777 CA GLY A 52 3.222 -5.045 11.556 1.00 0.00 C ATOM 778 C GLY A 52 3.880 -6.176 10.763 1.00 0.00 C ATOM 779 O GLY A 52 3.794 -7.347 11.137 1.00 0.00 O ATOM 0 H GLY A 52 2.794 -3.146 10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.991 -4.495 12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.552 -5.474 12.301 1.00 0.00 H new ATOM 783 N ILE A 53 4.481 -5.805 9.630 1.00 0.00 N ATOM 784 CA ILE A 53 5.142 -6.723 8.672 1.00 0.00 C ATOM 785 C ILE A 53 6.483 -6.124 8.246 1.00 0.00 C ATOM 786 O ILE A 53 6.796 -5.000 8.608 1.00 0.00 O ATOM 787 CB ILE A 53 4.258 -6.947 7.381 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.852 -5.570 6.742 1.00 0.00 C ATOM 789 CG2 ILE A 53 3.019 -7.814 7.696 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.112 -5.673 5.428 1.00 0.00 C ATOM 0 H ILE A 53 4.528 -4.829 9.336 1.00 0.00 H new ATOM 0 HA ILE A 53 5.284 -7.683 9.168 1.00 0.00 H new ATOM 0 HB ILE A 53 4.855 -7.491 6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.229 -5.026 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.754 -4.977 6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.430 -7.951 6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.341 -8.786 8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.410 -7.318 8.452 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.874 -4.673 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.738 -6.185 4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.189 -6.235 5.573 1.00 0.00 H new ATOM 802 N LYS A 54 7.280 -6.885 7.480 1.00 0.00 N ATOM 803 CA LYS A 54 8.456 -6.345 6.790 1.00 0.00 C ATOM 804 C LYS A 54 8.125 -6.197 5.302 1.00 0.00 C ATOM 805 O LYS A 54 7.979 -7.201 4.600 1.00 0.00 O ATOM 806 CB LYS A 54 9.714 -7.240 6.980 1.00 0.00 C ATOM 807 CG LYS A 54 10.971 -6.708 6.244 1.00 0.00 C ATOM 808 CD LYS A 54 12.189 -7.647 6.356 1.00 0.00 C ATOM 809 CE LYS A 54 13.409 -7.133 5.570 1.00 0.00 C ATOM 810 NZ LYS A 54 14.550 -8.086 5.622 1.00 0.00 N ATOM 0 H LYS A 54 7.128 -7.881 7.324 1.00 0.00 H new ATOM 0 HA LYS A 54 8.696 -5.374 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.934 -7.322 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.492 -8.245 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.731 -6.560 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.235 -5.732 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.460 -7.761 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.915 -8.636 5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.125 -6.964 4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.722 -6.171 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.349 -7.700 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.839 -8.228 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.261 -8.997 5.211 1.00 0.00 H new ATOM 824 N LEU A 55 7.969 -4.953 4.833 1.00 0.00 N ATOM 825 CA LEU A 55 7.919 -4.665 3.399 1.00 0.00 C ATOM 826 C LEU A 55 9.308 -4.918 2.799 1.00 0.00 C ATOM 827 O LEU A 55 10.280 -4.329 3.280 1.00 0.00 O ATOM 828 CB LEU A 55 7.464 -3.203 3.128 1.00 0.00 C ATOM 829 CG LEU A 55 5.986 -2.884 3.511 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.594 -1.452 3.095 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.018 -3.926 2.904 1.00 0.00 C ATOM 0 H LEU A 55 7.875 -4.130 5.429 1.00 0.00 H new ATOM 0 HA LEU A 55 7.186 -5.321 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.119 -2.528 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.602 -2.987 2.069 1.00 0.00 H new ATOM 0 HG LEU A 55 5.905 -2.944 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.558 -1.262 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.244 -0.736 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.702 -1.344 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.994 -3.680 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.107 -3.916 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.269 -4.918 3.279 1.00 0.00 H new ATOM 843 N PRO A 56 9.443 -5.828 1.785 1.00 0.00 N ATOM 844 CA PRO A 56 10.729 -6.080 1.106 1.00 0.00 C ATOM 845 C PRO A 56 11.052 -4.982 0.071 1.00 0.00 C ATOM 846 O PRO A 56 11.291 -5.277 -1.088 1.00 0.00 O ATOM 847 CB PRO A 56 10.505 -7.478 0.466 1.00 0.00 C ATOM 848 CG PRO A 56 9.039 -7.541 0.176 1.00 0.00 C ATOM 849 CD PRO A 56 8.363 -6.708 1.251 1.00 0.00 C ATOM 0 HA PRO A 56 11.592 -6.061 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.093 -7.594 -0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.808 -8.276 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.821 -7.148 -0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.681 -8.570 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.542 -6.121 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.943 -7.339 2.034 1.00 0.00 H new ATOM 857 N LEU A 57 11.106 -3.721 0.549 1.00 0.00 N ATOM 858 CA LEU A 57 11.405 -2.514 -0.263 1.00 0.00 C ATOM 859 C LEU A 57 12.811 -2.653 -0.903 1.00 0.00 C ATOM 860 O LEU A 57 13.019 -2.275 -2.062 1.00 0.00 O ATOM 861 CB LEU A 57 11.293 -1.251 0.669 1.00 0.00 C ATOM 862 CG LEU A 57 11.242 0.190 0.029 1.00 0.00 C ATOM 863 CD1 LEU A 57 12.612 0.683 -0.490 1.00 0.00 C ATOM 864 CD2 LEU A 57 10.163 0.264 -1.065 1.00 0.00 C ATOM 0 H LEU A 57 10.940 -3.505 1.532 1.00 0.00 H new ATOM 0 HA LEU A 57 10.692 -2.402 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.394 -1.371 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.142 -1.274 1.352 1.00 0.00 H new ATOM 0 HG LEU A 57 10.970 0.875 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.502 1.680 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.323 0.718 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.979 -0.001 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.146 1.267 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.388 -0.460 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.189 0.038 -0.631 1.00 0.00 H new ATOM 876 N GLU A 58 13.740 -3.240 -0.120 1.00 0.00 N ATOM 877 CA GLU A 58 15.113 -3.584 -0.558 1.00 0.00 C ATOM 878 C GLU A 58 15.091 -4.564 -1.762 1.00 0.00 C ATOM 879 O GLU A 58 15.804 -4.363 -2.761 1.00 0.00 O ATOM 880 CB GLU A 58 15.906 -4.198 0.645 1.00 0.00 C ATOM 881 CG GLU A 58 15.230 -5.434 1.296 1.00 0.00 C ATOM 882 CD GLU A 58 16.036 -6.067 2.441 1.00 0.00 C ATOM 883 OE1 GLU A 58 15.872 -5.649 3.613 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.839 -6.989 2.179 1.00 0.00 O ATOM 0 H GLU A 58 13.556 -3.493 0.851 1.00 0.00 H new ATOM 0 HA GLU A 58 15.613 -2.674 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.901 -4.482 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.040 -3.429 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.251 -5.140 1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.060 -6.188 0.527 1.00 0.00 H new ATOM 891 N LYS A 59 14.250 -5.607 -1.651 1.00 0.00 N ATOM 892 CA LYS A 59 14.085 -6.648 -2.677 1.00 0.00 C ATOM 893 C LYS A 59 13.406 -6.084 -3.932 1.00 0.00 C ATOM 894 O LYS A 59 13.780 -6.434 -5.046 1.00 0.00 O ATOM 895 CB LYS A 59 13.241 -7.807 -2.091 1.00 0.00 C ATOM 896 CG LYS A 59 12.950 -8.971 -3.060 1.00 0.00 C ATOM 897 CD LYS A 59 14.204 -9.797 -3.408 1.00 0.00 C ATOM 898 CE LYS A 59 13.904 -10.867 -4.466 1.00 0.00 C ATOM 899 NZ LYS A 59 12.722 -11.702 -4.110 1.00 0.00 N ATOM 0 H LYS A 59 13.658 -5.751 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 59 15.069 -7.016 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.758 -8.205 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.291 -7.402 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.202 -9.627 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.519 -8.572 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.987 -9.133 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.587 -10.274 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.728 -10.384 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.776 -11.509 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.660 -12.511 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.823 -12.049 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.857 -11.130 -4.186 1.00 0.00 H new ATOM 913 N TRP A 60 12.414 -5.199 -3.723 1.00 0.00 N ATOM 914 CA TRP A 60 11.649 -4.557 -4.810 1.00 0.00 C ATOM 915 C TRP A 60 12.586 -3.706 -5.675 1.00 0.00 C ATOM 916 O TRP A 60 12.504 -3.738 -6.903 1.00 0.00 O ATOM 917 CB TRP A 60 10.505 -3.683 -4.234 1.00 0.00 C ATOM 918 CG TRP A 60 9.433 -4.443 -3.479 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.214 -5.796 -3.470 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.421 -3.875 -2.635 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.129 -6.089 -2.690 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.635 -4.934 -2.157 1.00 0.00 C ATOM 923 CE3 TRP A 60 8.116 -2.572 -2.232 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.553 -4.734 -1.308 1.00 0.00 C ATOM 925 CZ3 TRP A 60 7.044 -2.371 -1.387 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.276 -3.450 -0.925 1.00 0.00 C ATOM 0 H TRP A 60 12.119 -4.907 -2.791 1.00 0.00 H new ATOM 0 HA TRP A 60 11.203 -5.336 -5.429 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.939 -2.938 -3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.035 -3.141 -5.054 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.810 -6.524 -4.001 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.750 -7.023 -2.532 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.709 -1.737 -2.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.952 -5.563 -0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.792 -1.368 -1.077 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.450 -3.264 -0.254 1.00 0.00 H new ATOM 937 N THR A 61 13.499 -2.989 -4.998 1.00 0.00 N ATOM 938 CA THR A 61 14.537 -2.179 -5.649 1.00 0.00 C ATOM 939 C THR A 61 15.486 -3.077 -6.474 1.00 0.00 C ATOM 940 O THR A 61 15.846 -2.728 -7.601 1.00 0.00 O ATOM 941 CB THR A 61 15.339 -1.358 -4.586 1.00 0.00 C ATOM 942 OG1 THR A 61 14.432 -0.523 -3.837 1.00 0.00 O ATOM 943 CG2 THR A 61 16.440 -0.473 -5.212 1.00 0.00 C ATOM 0 H THR A 61 13.536 -2.956 -3.979 1.00 0.00 H new ATOM 0 HA THR A 61 14.052 -1.478 -6.328 1.00 0.00 H new ATOM 0 HB THR A 61 15.833 -2.080 -3.935 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.930 -1.074 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.961 0.071 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 61 17.150 -1.101 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.987 0.236 -5.905 1.00 0.00 H new ATOM 951 N GLN A 62 15.829 -4.266 -5.936 1.00 0.00 N ATOM 952 CA GLN A 62 16.727 -5.224 -6.608 1.00 0.00 C ATOM 953 C GLN A 62 16.081 -5.760 -7.900 1.00 0.00 C ATOM 954 O GLN A 62 16.720 -5.778 -8.943 1.00 0.00 O ATOM 955 CB GLN A 62 17.077 -6.392 -5.644 1.00 0.00 C ATOM 956 CG GLN A 62 17.927 -7.520 -6.271 1.00 0.00 C ATOM 957 CD GLN A 62 18.248 -8.664 -5.310 1.00 0.00 C ATOM 958 OE1 GLN A 62 17.496 -8.955 -4.378 1.00 0.00 O ATOM 959 NE2 GLN A 62 19.358 -9.347 -5.555 1.00 0.00 N ATOM 0 H GLN A 62 15.492 -4.586 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 62 17.648 -4.708 -6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.613 -5.987 -4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.150 -6.823 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.398 -7.922 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.861 -7.095 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.959 -9.080 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.610 -10.139 -4.964 1.00 0.00 H new ATOM 968 N GLU A 63 14.808 -6.180 -7.804 1.00 0.00 N ATOM 969 CA GLU A 63 14.031 -6.722 -8.935 1.00 0.00 C ATOM 970 C GLU A 63 13.927 -5.724 -10.104 1.00 0.00 C ATOM 971 O GLU A 63 14.134 -6.093 -11.259 1.00 0.00 O ATOM 972 CB GLU A 63 12.616 -7.143 -8.455 1.00 0.00 C ATOM 973 CG GLU A 63 12.599 -8.274 -7.403 1.00 0.00 C ATOM 974 CD GLU A 63 13.126 -9.631 -7.926 1.00 0.00 C ATOM 975 OE1 GLU A 63 14.360 -9.830 -7.994 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.303 -10.517 -8.251 1.00 0.00 O ATOM 0 H GLU A 63 14.283 -6.153 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 63 14.563 -7.597 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.115 -6.270 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.034 -7.462 -9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.201 -7.968 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.578 -8.407 -7.044 1.00 0.00 H new ATOM 983 N VAL A 64 13.637 -4.458 -9.782 1.00 0.00 N ATOM 984 CA VAL A 64 13.493 -3.394 -10.792 1.00 0.00 C ATOM 985 C VAL A 64 14.850 -3.085 -11.473 1.00 0.00 C ATOM 986 O VAL A 64 14.949 -3.082 -12.706 1.00 0.00 O ATOM 987 CB VAL A 64 12.876 -2.084 -10.181 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.789 -0.960 -11.247 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.481 -2.365 -9.561 1.00 0.00 C ATOM 0 H VAL A 64 13.496 -4.140 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 64 12.801 -3.765 -11.548 1.00 0.00 H new ATOM 0 HB VAL A 64 13.538 -1.743 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.359 -0.065 -10.798 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.788 -0.734 -11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.159 -1.290 -12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.075 -1.443 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.809 -2.741 -10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.578 -3.108 -8.770 1.00 0.00 H new ATOM 999 N ASN A 65 15.893 -2.862 -10.653 1.00 0.00 N ATOM 1000 CA ASN A 65 17.250 -2.497 -11.137 1.00 0.00 C ATOM 1001 C ASN A 65 17.937 -3.646 -11.906 1.00 0.00 C ATOM 1002 O ASN A 65 18.749 -3.384 -12.799 1.00 0.00 O ATOM 1003 CB ASN A 65 18.136 -1.994 -9.956 1.00 0.00 C ATOM 1004 CG ASN A 65 17.857 -0.530 -9.581 1.00 0.00 C ATOM 1005 OD1 ASN A 65 18.540 0.379 -10.053 1.00 0.00 O ATOM 1006 ND2 ASN A 65 16.823 -0.281 -8.789 1.00 0.00 N ATOM 0 H ASN A 65 15.826 -2.928 -9.637 1.00 0.00 H new ATOM 0 HA ASN A 65 17.128 -1.682 -11.851 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.964 -2.626 -9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.187 -2.101 -10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.578 0.682 -8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.273 -1.052 -8.411 1.00 0.00 H new ATOM 1013 N ASP A 66 17.617 -4.908 -11.563 1.00 0.00 N ATOM 1014 CA ASP A 66 18.159 -6.109 -12.254 1.00 0.00 C ATOM 1015 C ASP A 66 17.202 -6.598 -13.378 1.00 0.00 C ATOM 1016 O ASP A 66 17.438 -7.633 -14.010 1.00 0.00 O ATOM 1017 CB ASP A 66 18.411 -7.217 -11.188 1.00 0.00 C ATOM 1018 CG ASP A 66 19.151 -8.463 -11.714 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.389 -8.413 -11.863 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.501 -9.494 -11.988 1.00 0.00 O ATOM 0 H ASP A 66 16.977 -5.131 -10.801 1.00 0.00 H new ATOM 0 HA ASP A 66 19.100 -5.858 -12.744 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.987 -6.788 -10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.452 -7.529 -10.775 1.00 0.00 H new ATOM 1025 N GLY A 67 16.123 -5.828 -13.625 1.00 0.00 N ATOM 1026 CA GLY A 67 15.160 -6.111 -14.703 1.00 0.00 C ATOM 1027 C GLY A 67 14.370 -7.409 -14.564 1.00 0.00 C ATOM 1028 O GLY A 67 13.871 -7.944 -15.560 1.00 0.00 O ATOM 0 H GLY A 67 15.897 -4.994 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.454 -5.283 -14.761 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.700 -6.136 -15.650 1.00 0.00 H new ATOM 1032 N LYS A 68 14.270 -7.926 -13.336 1.00 0.00 N ATOM 1033 CA LYS A 68 13.426 -9.095 -13.014 1.00 0.00 C ATOM 1034 C LYS A 68 11.954 -8.684 -12.870 1.00 0.00 C ATOM 1035 O LYS A 68 11.054 -9.513 -13.003 1.00 0.00 O ATOM 1036 CB LYS A 68 13.928 -9.762 -11.718 1.00 0.00 C ATOM 1037 CG LYS A 68 15.358 -10.357 -11.778 1.00 0.00 C ATOM 1038 CD LYS A 68 15.522 -11.569 -12.756 1.00 0.00 C ATOM 1039 CE LYS A 68 15.827 -11.171 -14.220 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.103 -10.422 -14.345 1.00 0.00 N ATOM 0 H LYS A 68 14.771 -7.549 -12.531 1.00 0.00 H new ATOM 0 HA LYS A 68 13.497 -9.811 -13.833 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.894 -9.025 -10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.234 -10.558 -11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.052 -9.571 -12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.647 -10.674 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.326 -12.209 -12.391 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.608 -12.163 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.873 -12.069 -14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.011 -10.561 -14.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.900 -9.417 -14.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.650 -10.519 -13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.654 -10.805 -15.140 1.00 0.00 H new ATOM 1054 N ALA A 69 11.753 -7.398 -12.579 1.00 0.00 N ATOM 1055 CA ALA A 69 10.443 -6.763 -12.479 1.00 0.00 C ATOM 1056 C ALA A 69 10.584 -5.299 -12.902 1.00 0.00 C ATOM 1057 O ALA A 69 11.685 -4.834 -13.234 1.00 0.00 O ATOM 1058 CB ALA A 69 9.891 -6.882 -11.040 1.00 0.00 C ATOM 0 H ALA A 69 12.522 -6.752 -12.401 1.00 0.00 H new ATOM 0 HA ALA A 69 9.732 -7.262 -13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.914 -6.403 -10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.795 -7.934 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.575 -6.393 -10.346 1.00 0.00 H new ATOM 1064 N THR A 70 9.460 -4.597 -12.912 1.00 0.00 N ATOM 1065 CA THR A 70 9.396 -3.149 -13.145 1.00 0.00 C ATOM 1066 C THR A 70 8.609 -2.492 -12.004 1.00 0.00 C ATOM 1067 O THR A 70 7.911 -3.186 -11.242 1.00 0.00 O ATOM 1068 CB THR A 70 8.786 -2.835 -14.560 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.866 -3.871 -14.934 1.00 0.00 O ATOM 1070 CG2 THR A 70 9.856 -2.695 -15.656 1.00 0.00 C ATOM 0 H THR A 70 8.545 -5.020 -12.756 1.00 0.00 H new ATOM 0 HA THR A 70 10.402 -2.729 -13.148 1.00 0.00 H new ATOM 0 HB THR A 70 8.275 -1.876 -14.475 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.990 -3.691 -14.534 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.374 -2.479 -16.609 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.535 -1.882 -15.400 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.418 -3.625 -15.736 1.00 0.00 H new ATOM 1078 N THR A 71 8.734 -1.155 -11.908 1.00 0.00 N ATOM 1079 CA THR A 71 8.332 -0.375 -10.722 1.00 0.00 C ATOM 1080 C THR A 71 6.864 -0.609 -10.313 1.00 0.00 C ATOM 1081 O THR A 71 6.597 -0.956 -9.165 1.00 0.00 O ATOM 1082 CB THR A 71 8.579 1.160 -10.927 1.00 0.00 C ATOM 1083 OG1 THR A 71 7.827 1.639 -12.049 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.059 1.483 -11.142 1.00 0.00 C ATOM 0 H THR A 71 9.120 -0.581 -12.658 1.00 0.00 H new ATOM 0 HA THR A 71 8.965 -0.736 -9.911 1.00 0.00 H new ATOM 0 HB THR A 71 8.251 1.659 -10.015 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.988 2.599 -12.165 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.181 2.557 -11.279 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.632 1.161 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.420 0.961 -12.028 1.00 0.00 H new ATOM 1092 N GLU A 72 5.944 -0.453 -11.285 1.00 0.00 N ATOM 1093 CA GLU A 72 4.480 -0.475 -11.055 1.00 0.00 C ATOM 1094 C GLU A 72 3.971 -1.748 -10.327 1.00 0.00 C ATOM 1095 O GLU A 72 3.068 -1.647 -9.490 1.00 0.00 O ATOM 1096 CB GLU A 72 3.704 -0.217 -12.395 1.00 0.00 C ATOM 1097 CG GLU A 72 3.706 -1.347 -13.446 1.00 0.00 C ATOM 1098 CD GLU A 72 5.111 -1.751 -13.914 1.00 0.00 C ATOM 1099 OE1 GLU A 72 5.801 -0.933 -14.563 1.00 0.00 O ATOM 1100 OE2 GLU A 72 5.545 -2.867 -13.599 1.00 0.00 O ATOM 0 H GLU A 72 6.195 -0.307 -12.263 1.00 0.00 H new ATOM 0 HA GLU A 72 4.269 0.343 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.667 0.009 -12.146 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.122 0.676 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.206 -2.221 -13.028 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.122 -1.029 -14.310 1.00 0.00 H new ATOM 1107 N GLN A 73 4.595 -2.915 -10.616 1.00 0.00 N ATOM 1108 CA GLN A 73 4.260 -4.229 -9.981 1.00 0.00 C ATOM 1109 C GLN A 73 4.282 -4.177 -8.438 1.00 0.00 C ATOM 1110 O GLN A 73 3.608 -4.975 -7.770 1.00 0.00 O ATOM 1111 CB GLN A 73 5.251 -5.326 -10.460 1.00 0.00 C ATOM 1112 CG GLN A 73 5.172 -5.643 -11.966 1.00 0.00 C ATOM 1113 CD GLN A 73 6.265 -6.586 -12.459 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.736 -7.449 -11.726 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.680 -6.429 -13.705 1.00 0.00 N ATOM 0 H GLN A 73 5.350 -2.980 -11.299 1.00 0.00 H new ATOM 0 HA GLN A 73 3.243 -4.468 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.266 -5.010 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.061 -6.241 -9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.200 -6.085 -12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.231 -4.710 -12.527 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.270 -5.702 -14.291 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.410 -7.035 -14.079 1.00 0.00 H new ATOM 1124 N TYR A 74 5.099 -3.271 -7.886 1.00 0.00 N ATOM 1125 CA TYR A 74 5.219 -3.067 -6.434 1.00 0.00 C ATOM 1126 C TYR A 74 4.746 -1.669 -6.013 1.00 0.00 C ATOM 1127 O TYR A 74 4.228 -1.504 -4.911 1.00 0.00 O ATOM 1128 CB TYR A 74 6.694 -3.279 -6.012 1.00 0.00 C ATOM 1129 CG TYR A 74 7.260 -4.655 -6.398 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.684 -5.827 -5.899 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.352 -4.789 -7.263 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.181 -7.070 -6.232 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.854 -6.034 -7.596 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.261 -7.171 -7.084 1.00 0.00 C ATOM 1135 OH TYR A 74 8.759 -8.416 -7.413 1.00 0.00 O ATOM 0 H TYR A 74 5.699 -2.655 -8.435 1.00 0.00 H new ATOM 0 HA TYR A 74 4.578 -3.791 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.308 -2.503 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.774 -3.154 -4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.832 -5.758 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.811 -3.904 -7.678 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.726 -7.962 -5.827 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.706 -6.117 -8.254 1.00 0.00 H new ATOM 0 HH TYR A 74 9.519 -8.314 -8.023 1.00 0.00 H new ATOM 1145 N PHE A 75 4.911 -0.656 -6.891 1.00 0.00 N ATOM 1146 CA PHE A 75 4.797 0.771 -6.504 1.00 0.00 C ATOM 1147 C PHE A 75 3.545 1.439 -7.115 1.00 0.00 C ATOM 1148 O PHE A 75 3.489 2.664 -7.233 1.00 0.00 O ATOM 1149 CB PHE A 75 6.095 1.523 -6.924 1.00 0.00 C ATOM 1150 CG PHE A 75 7.389 0.951 -6.327 1.00 0.00 C ATOM 1151 CD1 PHE A 75 7.513 0.744 -4.956 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.484 0.631 -7.135 1.00 0.00 C ATOM 1153 CE1 PHE A 75 8.679 0.235 -4.419 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.649 0.117 -6.596 1.00 0.00 C ATOM 1155 CZ PHE A 75 9.745 -0.077 -5.236 1.00 0.00 C ATOM 0 H PHE A 75 5.125 -0.799 -7.878 1.00 0.00 H new ATOM 0 HA PHE A 75 4.680 0.826 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.173 1.505 -8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.005 2.568 -6.628 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.686 0.985 -4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.419 0.788 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.756 0.080 -3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.480 -0.131 -7.239 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.655 -0.473 -4.810 1.00 0.00 H new ATOM 1165 N VAL A 76 2.543 0.629 -7.495 1.00 0.00 N ATOM 1166 CA VAL A 76 1.168 1.117 -7.771 1.00 0.00 C ATOM 1167 C VAL A 76 0.290 0.666 -6.609 1.00 0.00 C ATOM 1168 O VAL A 76 0.398 -0.471 -6.197 1.00 0.00 O ATOM 1169 CB VAL A 76 0.580 0.570 -9.130 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.953 0.741 -9.232 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.250 1.250 -10.328 1.00 0.00 C ATOM 0 H VAL A 76 2.655 -0.377 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 76 1.193 2.202 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 76 0.796 -0.498 -9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.300 0.347 -10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.435 0.198 -8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.207 1.799 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.828 0.856 -11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.078 2.325 -10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.322 1.053 -10.306 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.598 1.555 -6.150 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.402 1.399 -4.916 1.00 0.00 C ATOM 1183 C LEU A 77 -2.178 0.062 -4.804 1.00 0.00 C ATOM 1184 O LEU A 77 -2.279 -0.482 -3.707 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.365 2.618 -4.767 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.820 3.825 -3.946 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.636 3.444 -2.464 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.527 4.421 -4.559 1.00 0.00 C ATOM 0 H LEU A 77 -0.788 2.431 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.690 1.369 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.628 2.972 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.286 2.272 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.569 4.616 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.255 4.303 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.595 3.140 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.928 2.619 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.188 5.259 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.249 3.656 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.731 4.768 -5.572 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.724 -0.448 -5.922 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.465 -1.743 -5.931 1.00 0.00 C ATOM 1202 C LYS A 78 -2.497 -2.926 -5.696 1.00 0.00 C ATOM 1203 O LYS A 78 -2.792 -3.844 -4.919 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.240 -1.939 -7.275 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.343 -1.941 -8.535 1.00 0.00 C ATOM 1206 CD LYS A 78 -4.110 -2.131 -9.858 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.174 -2.081 -11.087 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.914 -2.295 -12.359 1.00 0.00 N ATOM 0 H LYS A 78 -2.672 0.007 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.191 -1.717 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.786 -2.881 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.981 -1.145 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.795 -1.000 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.604 -2.736 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.632 -3.088 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.870 -1.355 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.669 -1.116 -11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.400 -2.842 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.250 -2.254 -13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.375 -3.227 -12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.635 -1.554 -12.470 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.330 -2.848 -6.351 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.294 -3.895 -6.334 1.00 0.00 C ATOM 1224 C ASN A 79 0.477 -3.848 -5.014 1.00 0.00 C ATOM 1225 O ASN A 79 0.880 -4.875 -4.487 1.00 0.00 O ATOM 1226 CB ASN A 79 0.677 -3.678 -7.523 1.00 0.00 C ATOM 1227 CG ASN A 79 -0.010 -3.681 -8.890 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.964 -4.416 -9.124 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.449 -2.828 -9.786 1.00 0.00 N ATOM 0 H ASN A 79 -1.073 -2.041 -6.919 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.768 -4.872 -6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.194 -2.728 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.437 -4.460 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.009 -2.766 -10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.244 -2.230 -9.561 1.00 0.00 H new ATOM 1236 N LEU A 80 0.632 -2.623 -4.496 1.00 0.00 N ATOM 1237 CA LEU A 80 1.324 -2.316 -3.243 1.00 0.00 C ATOM 1238 C LEU A 80 0.500 -2.880 -2.089 1.00 0.00 C ATOM 1239 O LEU A 80 0.991 -3.707 -1.328 1.00 0.00 O ATOM 1240 CB LEU A 80 1.511 -0.770 -3.112 1.00 0.00 C ATOM 1241 CG LEU A 80 2.236 -0.240 -1.828 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.639 -0.873 -1.658 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.316 1.310 -1.838 1.00 0.00 C ATOM 0 H LEU A 80 0.265 -1.790 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 80 2.314 -2.771 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.069 -0.423 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.526 -0.306 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 80 1.641 -0.543 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.109 -0.480 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.542 -1.955 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.255 -0.630 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.823 1.654 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.872 1.640 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.309 1.726 -1.869 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.790 -2.490 -2.051 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.764 -2.973 -1.050 1.00 0.00 C ATOM 1257 C ALA A 81 -1.925 -4.500 -1.112 1.00 0.00 C ATOM 1258 O ALA A 81 -2.175 -5.138 -0.091 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.119 -2.278 -1.243 1.00 0.00 C ATOM 0 H ALA A 81 -1.188 -1.828 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.379 -2.722 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.825 -2.645 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.995 -1.201 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.500 -2.494 -2.241 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.757 -5.076 -2.319 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.755 -6.535 -2.515 1.00 0.00 C ATOM 1267 C ALA A 82 -0.545 -7.177 -1.806 1.00 0.00 C ATOM 1268 O ALA A 82 -0.736 -8.083 -0.995 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.764 -6.883 -4.011 1.00 0.00 C ATOM 0 H ALA A 82 -1.620 -4.545 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.663 -6.942 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.762 -7.966 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.658 -6.467 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.878 -6.463 -4.488 1.00 0.00 H new ATOM 1275 N ARG A 83 0.685 -6.660 -2.084 1.00 0.00 N ATOM 1276 CA ARG A 83 1.946 -7.168 -1.464 1.00 0.00 C ATOM 1277 C ARG A 83 1.839 -7.162 0.072 1.00 0.00 C ATOM 1278 O ARG A 83 2.074 -8.174 0.729 1.00 0.00 O ATOM 1279 CB ARG A 83 3.197 -6.328 -1.880 1.00 0.00 C ATOM 1280 CG ARG A 83 3.494 -6.198 -3.398 1.00 0.00 C ATOM 1281 CD ARG A 83 3.760 -7.536 -4.126 1.00 0.00 C ATOM 1282 NE ARG A 83 2.547 -8.354 -4.285 1.00 0.00 N ATOM 1283 CZ ARG A 83 1.685 -8.291 -5.316 1.00 0.00 C ATOM 1284 NH1 ARG A 83 1.868 -7.441 -6.326 1.00 0.00 N ATOM 1285 NH2 ARG A 83 0.630 -9.088 -5.318 1.00 0.00 N ATOM 0 H ARG A 83 0.831 -5.889 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 83 2.077 -8.186 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.080 -5.324 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.072 -6.767 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.650 -5.702 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.361 -5.551 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.185 -7.331 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.505 -8.105 -3.569 1.00 0.00 H new ATOM 0 HE ARG A 83 2.342 -9.029 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.676 -6.819 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.200 -7.413 -7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.480 -9.737 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.034 -9.053 -6.092 1.00 0.00 H new ATOM 1299 N ILE A 84 1.411 -6.004 0.587 1.00 0.00 N ATOM 1300 CA ILE A 84 1.244 -5.723 2.021 1.00 0.00 C ATOM 1301 C ILE A 84 0.276 -6.733 2.672 1.00 0.00 C ATOM 1302 O ILE A 84 0.639 -7.409 3.637 1.00 0.00 O ATOM 1303 CB ILE A 84 0.706 -4.249 2.191 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.751 -3.229 1.627 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.327 -3.919 3.657 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.250 -1.819 1.448 1.00 0.00 C ATOM 0 H ILE A 84 1.162 -5.209 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 84 2.207 -5.822 2.523 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.215 -4.165 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.611 -3.208 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.106 -3.595 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.037 -2.893 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.454 -4.601 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.205 -4.030 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.052 -1.195 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.412 -1.816 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.924 -1.424 2.410 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.925 -6.855 2.085 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.008 -7.721 2.600 1.00 0.00 C ATOM 1320 C ASP A 85 -1.606 -9.213 2.587 1.00 0.00 C ATOM 1321 O ASP A 85 -1.988 -9.964 3.486 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.287 -7.480 1.767 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.511 -8.270 2.253 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.190 -7.820 3.216 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.821 -9.334 1.672 1.00 0.00 O ATOM 0 H ASP A 85 -1.178 -6.354 1.233 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.199 -7.461 3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.524 -6.416 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.086 -7.744 0.729 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.815 -9.625 1.570 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.284 -11.006 1.458 1.00 0.00 C ATOM 1332 C GLU A 86 0.746 -11.296 2.565 1.00 0.00 C ATOM 1333 O GLU A 86 0.826 -12.422 3.058 1.00 0.00 O ATOM 1334 CB GLU A 86 0.365 -11.235 0.071 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.620 -11.202 -1.112 1.00 0.00 C ATOM 1336 CD GLU A 86 0.075 -11.141 -2.487 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.012 -10.332 -2.648 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -0.331 -11.862 -3.421 1.00 0.00 O ATOM 0 H GLU A 86 -0.527 -9.014 0.806 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.124 -11.690 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.129 -10.474 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.873 -12.200 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.253 -12.088 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.275 -10.337 -1.006 1.00 0.00 H new ATOM 1345 N LEU A 87 1.555 -10.278 2.916 1.00 0.00 N ATOM 1346 CA LEU A 87 2.522 -10.369 4.032 1.00 0.00 C ATOM 1347 C LEU A 87 1.784 -10.455 5.385 1.00 0.00 C ATOM 1348 O LEU A 87 2.195 -11.205 6.276 1.00 0.00 O ATOM 1349 CB LEU A 87 3.500 -9.165 4.011 1.00 0.00 C ATOM 1350 CG LEU A 87 4.376 -9.021 2.724 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.191 -7.713 2.744 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.289 -10.251 2.516 1.00 0.00 C ATOM 0 H LEU A 87 1.559 -9.376 2.440 1.00 0.00 H new ATOM 0 HA LEU A 87 3.106 -11.280 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.922 -8.250 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.164 -9.245 4.872 1.00 0.00 H new ATOM 0 HG LEU A 87 3.697 -8.974 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.789 -7.643 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.512 -6.862 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.849 -7.708 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.883 -10.115 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.953 -10.360 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.676 -11.147 2.416 1.00 0.00 H new ATOM 1364 N VAL A 88 0.671 -9.708 5.515 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.180 -9.736 6.726 1.00 0.00 C ATOM 1366 C VAL A 88 -0.903 -11.110 6.830 1.00 0.00 C ATOM 1367 O VAL A 88 -1.120 -11.649 7.933 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.218 -8.545 6.735 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.095 -8.564 8.010 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.505 -7.172 6.596 1.00 0.00 C ATOM 0 H VAL A 88 0.336 -9.072 4.791 1.00 0.00 H new ATOM 0 HA VAL A 88 0.460 -9.607 7.599 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.869 -8.685 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.797 -7.731 7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.648 -9.502 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.459 -8.473 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.247 -6.374 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.186 -7.035 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.047 -7.142 5.657 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.215 -11.692 5.660 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.781 -13.042 5.557 1.00 0.00 C ATOM 1382 C ALA A 89 -0.731 -14.097 5.962 1.00 0.00 C ATOM 1383 O ALA A 89 -1.043 -15.052 6.684 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.312 -13.296 4.138 1.00 0.00 C ATOM 0 H ALA A 89 -1.080 -11.236 4.758 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.621 -13.124 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.728 -14.302 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.089 -12.568 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.496 -13.199 3.421 1.00 0.00 H new ATOM 1390 N ALA A 90 0.520 -13.870 5.518 1.00 0.00 N ATOM 1391 CA ALA A 90 1.667 -14.753 5.786 1.00 0.00 C ATOM 1392 C ALA A 90 1.983 -14.830 7.294 1.00 0.00 C ATOM 1393 O ALA A 90 2.289 -15.907 7.814 1.00 0.00 O ATOM 1394 CB ALA A 90 2.898 -14.271 4.999 1.00 0.00 C ATOM 0 H ALA A 90 0.764 -13.055 4.955 1.00 0.00 H new ATOM 0 HA ALA A 90 1.404 -15.758 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.742 -14.930 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.676 -14.286 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.149 -13.255 5.303 1.00 0.00 H new ATOM 1400 N LYS A 91 1.862 -13.683 7.996 1.00 0.00 N ATOM 1401 CA LYS A 91 2.133 -13.607 9.449 1.00 0.00 C ATOM 1402 C LYS A 91 0.892 -14.061 10.252 1.00 0.00 C ATOM 1403 O LYS A 91 0.980 -14.314 11.463 1.00 0.00 O ATOM 1404 CB LYS A 91 2.534 -12.172 9.868 1.00 0.00 C ATOM 1405 CG LYS A 91 1.365 -11.162 9.899 1.00 0.00 C ATOM 1406 CD LYS A 91 1.741 -9.829 10.563 1.00 0.00 C ATOM 1407 CE LYS A 91 0.536 -8.891 10.728 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.897 -7.686 11.494 1.00 0.00 N ATOM 0 H LYS A 91 1.578 -12.796 7.580 1.00 0.00 H new ATOM 0 HA LYS A 91 2.966 -14.275 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.990 -12.210 10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.296 -11.806 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.029 -10.972 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.524 -11.604 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.180 -10.026 11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.505 -9.332 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.161 -8.602 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.272 -9.419 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.387 -7.685 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.922 -7.682 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.637 -6.838 10.950 1.00 0.00 H new ATOM 1422 N GLY A 92 -0.264 -14.134 9.554 1.00 0.00 N ATOM 1423 CA GLY A 92 -1.480 -14.700 10.121 1.00 0.00 C ATOM 1424 C GLY A 92 -1.389 -16.222 10.230 1.00 0.00 C ATOM 1425 O GLY A 92 -2.070 -16.837 11.057 1.00 0.00 O ATOM 0 H GLY A 92 -0.366 -13.803 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.656 -14.273 11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.333 -14.429 9.500 1.00 0.00 H new ATOM 1429 N ALA A 93 -0.532 -16.822 9.384 1.00 0.00 N ATOM 1430 CA ALA A 93 -0.234 -18.268 9.408 1.00 0.00 C ATOM 1431 C ALA A 93 0.863 -18.600 10.444 1.00 0.00 C ATOM 1432 O ALA A 93 1.111 -19.772 10.733 1.00 0.00 O ATOM 1433 CB ALA A 93 0.185 -18.725 7.995 1.00 0.00 C ATOM 0 H ALA A 93 -0.023 -16.315 8.660 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.132 -18.807 9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.406 -19.792 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.627 -18.531 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.073 -18.175 7.683 1.00 0.00 H new ATOM 1439 N LEU A 94 1.500 -17.552 11.008 1.00 0.00 N ATOM 1440 CA LEU A 94 2.619 -17.693 11.958 1.00 0.00 C ATOM 1441 C LEU A 94 2.076 -18.108 13.345 1.00 0.00 C ATOM 1442 O LEU A 94 2.161 -19.281 13.722 1.00 0.00 O ATOM 1443 CB LEU A 94 3.421 -16.354 12.018 1.00 0.00 C ATOM 1444 CG LEU A 94 4.776 -16.370 12.794 1.00 0.00 C ATOM 1445 CD1 LEU A 94 5.784 -17.331 12.129 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.360 -14.940 12.928 1.00 0.00 C ATOM 0 H LEU A 94 1.250 -16.582 10.815 1.00 0.00 H new ATOM 0 HA LEU A 94 3.301 -18.475 11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.621 -16.033 10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.781 -15.596 12.470 1.00 0.00 H new ATOM 0 HG LEU A 94 4.582 -16.741 13.801 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.719 -17.323 12.690 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.374 -18.341 12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.972 -17.009 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.303 -14.982 13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.532 -14.523 11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.656 -14.309 13.470 1.00 0.00 H new ATOM 1458 N GLU A 95 1.489 -17.136 14.073 1.00 0.00 N ATOM 1459 CA GLU A 95 0.856 -17.353 15.403 1.00 0.00 C ATOM 1460 C GLU A 95 -0.090 -16.178 15.746 1.00 0.00 C ATOM 1461 O GLU A 95 -1.040 -16.339 16.522 1.00 0.00 O ATOM 1462 CB GLU A 95 1.921 -17.624 16.542 1.00 0.00 C ATOM 1463 CG GLU A 95 3.277 -16.873 16.431 1.00 0.00 C ATOM 1464 CD GLU A 95 3.189 -15.353 16.616 1.00 0.00 C ATOM 1465 OE1 GLU A 95 3.195 -14.888 17.778 1.00 0.00 O ATOM 1466 OE2 GLU A 95 3.107 -14.614 15.608 1.00 0.00 O ATOM 0 H GLU A 95 1.437 -16.168 13.757 1.00 0.00 H new ATOM 0 HA GLU A 95 0.255 -18.260 15.344 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.467 -17.365 17.499 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.127 -18.694 16.566 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.962 -17.276 17.177 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.712 -17.081 15.454 1.00 0.00 H new ATOM 1473 N HIS A 96 0.192 -14.990 15.184 1.00 0.00 N ATOM 1474 CA HIS A 96 -0.740 -13.840 15.204 1.00 0.00 C ATOM 1475 C HIS A 96 -1.766 -13.970 14.061 1.00 0.00 C ATOM 1476 O HIS A 96 -1.726 -14.933 13.293 1.00 0.00 O ATOM 1477 CB HIS A 96 0.043 -12.504 15.126 1.00 0.00 C ATOM 1478 CG HIS A 96 0.741 -12.153 16.414 1.00 0.00 C ATOM 1479 ND1 HIS A 96 2.106 -12.062 16.538 1.00 0.00 N ATOM 1480 CD2 HIS A 96 0.237 -11.854 17.637 1.00 0.00 C ATOM 1481 CE1 HIS A 96 2.414 -11.727 17.777 1.00 0.00 C ATOM 1482 NE2 HIS A 96 1.299 -11.594 18.465 1.00 0.00 N ATOM 0 H HIS A 96 1.070 -14.796 14.703 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.288 -13.841 16.146 1.00 0.00 H new ATOM 0 HB2 HIS A 96 0.780 -12.568 14.326 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -0.645 -11.701 14.862 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.808 -11.826 17.909 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.413 -11.586 18.162 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.236 -11.340 19.451 1.00 0.00 H new ATOM 1491 N HIS A 97 -2.711 -13.014 13.977 1.00 0.00 N ATOM 1492 CA HIS A 97 -3.833 -13.064 13.015 1.00 0.00 C ATOM 1493 C HIS A 97 -3.799 -11.808 12.109 1.00 0.00 C ATOM 1494 O HIS A 97 -3.190 -11.845 11.030 1.00 0.00 O ATOM 1495 CB HIS A 97 -5.181 -13.204 13.787 1.00 0.00 C ATOM 1496 CG HIS A 97 -5.271 -14.447 14.644 1.00 0.00 C ATOM 1497 ND1 HIS A 97 -4.612 -14.588 15.848 1.00 0.00 N ATOM 1498 CD2 HIS A 97 -5.918 -15.617 14.442 1.00 0.00 C ATOM 1499 CE1 HIS A 97 -4.852 -15.787 16.343 1.00 0.00 C ATOM 1500 NE2 HIS A 97 -5.634 -16.430 15.507 1.00 0.00 N ATOM 0 H HIS A 97 -2.720 -12.186 14.572 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.736 -13.936 12.368 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.318 -12.327 14.420 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.001 -13.210 13.069 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.543 -15.865 13.597 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.470 -16.174 17.276 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.976 -17.383 15.631 1.00 0.00 H new ATOM 1509 N HIS A 98 -4.436 -10.703 12.578 1.00 0.00 N ATOM 1510 CA HIS A 98 -4.436 -9.368 11.918 1.00 0.00 C ATOM 1511 C HIS A 98 -4.918 -9.382 10.449 1.00 0.00 C ATOM 1512 O HIS A 98 -4.662 -8.434 9.710 1.00 0.00 O ATOM 1513 CB HIS A 98 -3.041 -8.690 12.045 1.00 0.00 C ATOM 1514 CG HIS A 98 -2.708 -8.248 13.445 1.00 0.00 C ATOM 1515 ND1 HIS A 98 -2.913 -6.959 13.895 1.00 0.00 N ATOM 1516 CD2 HIS A 98 -2.181 -8.924 14.488 1.00 0.00 C ATOM 1517 CE1 HIS A 98 -2.529 -6.868 15.150 1.00 0.00 C ATOM 1518 NE2 HIS A 98 -2.083 -8.045 15.534 1.00 0.00 N ATOM 0 H HIS A 98 -4.975 -10.715 13.444 1.00 0.00 H new ATOM 0 HA HIS A 98 -5.175 -8.774 12.456 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -2.276 -9.386 11.702 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -3.005 -7.825 11.382 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.891 -9.964 14.496 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.572 -5.979 15.761 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -1.722 -8.267 16.462 1.00 0.00 H new ATOM 1527 N HIS A 99 -5.694 -10.407 10.061 1.00 0.00 N ATOM 1528 CA HIS A 99 -6.195 -10.555 8.671 1.00 0.00 C ATOM 1529 C HIS A 99 -7.277 -9.513 8.325 1.00 0.00 C ATOM 1530 O HIS A 99 -7.647 -9.390 7.146 1.00 0.00 O ATOM 1531 CB HIS A 99 -6.765 -11.978 8.439 1.00 0.00 C ATOM 1532 CG HIS A 99 -5.733 -13.065 8.394 1.00 0.00 C ATOM 1533 ND1 HIS A 99 -5.927 -14.305 8.942 1.00 0.00 N ATOM 1534 CD2 HIS A 99 -4.528 -13.113 7.783 1.00 0.00 C ATOM 1535 CE1 HIS A 99 -4.895 -15.072 8.667 1.00 0.00 C ATOM 1536 NE2 HIS A 99 -4.030 -14.378 7.961 1.00 0.00 N ATOM 0 H HIS A 99 -5.993 -11.153 10.689 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.340 -10.389 8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.477 -12.204 9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.321 -11.984 7.501 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.047 -12.305 7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.777 -16.102 8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.138 -14.723 7.605 1.00 0.00 H new ATOM 1545 N HIS A 100 -7.782 -8.798 9.363 1.00 0.00 N ATOM 1546 CA HIS A 100 -8.871 -7.816 9.242 1.00 0.00 C ATOM 1547 C HIS A 100 -10.185 -8.543 8.890 1.00 0.00 C ATOM 1548 O HIS A 100 -10.906 -8.978 9.788 1.00 0.00 O ATOM 1549 CB HIS A 100 -8.518 -6.672 8.230 1.00 0.00 C ATOM 1550 CG HIS A 100 -9.662 -5.749 7.864 1.00 0.00 C ATOM 1551 ND1 HIS A 100 -10.207 -5.687 6.594 1.00 0.00 N ATOM 1552 CD2 HIS A 100 -10.350 -4.855 8.603 1.00 0.00 C ATOM 1553 CE1 HIS A 100 -11.174 -4.791 6.577 1.00 0.00 C ATOM 1554 NE2 HIS A 100 -11.282 -4.275 7.781 1.00 0.00 N ATOM 0 H HIS A 100 -7.434 -8.895 10.317 1.00 0.00 H new ATOM 0 HA HIS A 100 -9.009 -7.320 10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.712 -6.073 8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -8.133 -7.125 7.316 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -10.195 -4.636 9.649 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -11.775 -4.526 5.720 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.952 -3.558 8.059 1.00 0.00 H new ATOM 1563 N HIS A 101 -10.419 -8.739 7.580 1.00 0.00 N ATOM 1564 CA HIS A 101 -11.659 -9.281 7.019 1.00 0.00 C ATOM 1565 C HIS A 101 -11.510 -9.259 5.486 1.00 0.00 C ATOM 1566 O HIS A 101 -11.383 -8.149 4.926 1.00 0.00 O ATOM 1567 CB HIS A 101 -12.906 -8.457 7.461 1.00 0.00 C ATOM 1568 CG HIS A 101 -14.214 -8.993 6.945 1.00 0.00 C ATOM 1569 ND1 HIS A 101 -14.871 -8.455 5.864 1.00 0.00 N ATOM 1570 CD2 HIS A 101 -14.979 -10.026 7.366 1.00 0.00 C ATOM 1571 CE1 HIS A 101 -15.979 -9.126 5.644 1.00 0.00 C ATOM 1572 NE2 HIS A 101 -16.074 -10.088 6.540 1.00 0.00 N ATOM 1573 OXT HIS A 101 -11.489 -10.330 4.850 1.00 0.00 O ATOM 0 H HIS A 101 -9.726 -8.516 6.865 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.818 -10.296 7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -12.942 -8.429 8.550 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.788 -7.429 7.120 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -14.768 -10.681 8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -16.693 -8.923 4.860 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -16.834 -10.765 6.608 1.00 0.00 H new TER 1582 HIS A 101