USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC H2D : A 101 HEC O2D : A 101 HEC CGD :(short bond) USER MOD Set 1.1: A 95 TYR OH : rot -50:sc= 1.22 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.03 K(o=2.2,f=-3) USER MOD Set 2.1: A 50 MET CE :methyl 159:sc=-0.00861 (180deg=-1.06) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 101 HEC O2A : rot 48:sc= 0.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0.735 (180deg=0.732) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.042 X(o=-0.042,f=-0.011) USER MOD Single : A 31 ASN : amide:sc= 0.204 K(o=0.2,f=-2.5!) USER MOD Single : A 37 THR OG1 : rot -74:sc= 0.0462 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 2:sc= 1.02 USER MOD Single : A 47 SER OG : rot 143:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.4) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 63 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.9!) USER MOD Single : A 67 THR OG1 : rot -108:sc= 0.808 USER MOD Single : A 68 ASN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.438) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -168:sc= -0.0251 (180deg=-0.0902) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.715 K(o=0.72,f=-3.7!) USER MOD Single : A 100 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.675 -1.186 0.574 1.00 0.00 N ATOM 2 CA MET A 1 2.267 -0.589 -0.652 1.00 0.00 C ATOM 3 C MET A 1 3.393 -1.507 -1.218 1.00 0.00 C ATOM 4 O MET A 1 4.551 -1.430 -0.796 1.00 0.00 O ATOM 5 CB MET A 1 2.759 0.853 -0.351 1.00 0.00 C ATOM 6 CG MET A 1 1.651 1.918 -0.192 1.00 0.00 C ATOM 7 SD MET A 1 0.743 2.152 -1.737 1.00 0.00 S ATOM 8 CE MET A 1 1.824 3.310 -2.598 1.00 0.00 C ATOM 0 H1 MET A 1 0.927 -0.562 0.938 1.00 0.00 H new ATOM 0 H2 MET A 1 1.269 -2.116 0.346 1.00 0.00 H new ATOM 0 H3 MET A 1 2.414 -1.298 1.297 1.00 0.00 H new ATOM 0 HA MET A 1 1.507 -0.516 -1.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.351 0.832 0.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.425 1.165 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.961 1.614 0.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.094 2.864 0.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.397 3.551 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.923 4.222 -2.009 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.806 2.858 -2.735 1.00 0.00 H new ATOM 19 N ALA A 2 3.046 -2.365 -2.194 1.00 0.00 N ATOM 20 CA ALA A 2 4.027 -3.230 -2.904 1.00 0.00 C ATOM 21 C ALA A 2 4.091 -2.889 -4.426 1.00 0.00 C ATOM 22 O ALA A 2 3.586 -3.632 -5.275 1.00 0.00 O ATOM 23 CB ALA A 2 3.614 -4.687 -2.610 1.00 0.00 C ATOM 0 H ALA A 2 2.086 -2.484 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 2 5.045 -3.064 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.303 -5.368 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.644 -4.864 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.603 -4.860 -2.978 1.00 0.00 H new ATOM 29 N ASP A 3 4.727 -1.756 -4.774 1.00 0.00 N ATOM 30 CA ASP A 3 4.817 -1.273 -6.179 1.00 0.00 C ATOM 31 C ASP A 3 6.278 -1.486 -6.706 1.00 0.00 C ATOM 32 O ASP A 3 7.152 -0.678 -6.366 1.00 0.00 O ATOM 33 CB ASP A 3 4.359 0.209 -6.267 1.00 0.00 C ATOM 34 CG ASP A 3 2.884 0.458 -5.955 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.075 0.134 -7.001 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.473 0.896 -4.886 1.00 0.00 O ATOM 0 H ASP A 3 5.193 -1.148 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 3 4.147 -1.846 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.963 0.800 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.568 0.577 -7.271 1.00 0.00 H new ATOM 41 N PRO A 4 6.613 -2.525 -7.532 1.00 0.00 N ATOM 42 CA PRO A 4 8.021 -2.813 -7.931 1.00 0.00 C ATOM 43 C PRO A 4 8.707 -1.805 -8.912 1.00 0.00 C ATOM 44 O PRO A 4 9.914 -1.586 -8.806 1.00 0.00 O ATOM 45 CB PRO A 4 7.917 -4.256 -8.461 1.00 0.00 C ATOM 46 CG PRO A 4 6.482 -4.404 -8.968 1.00 0.00 C ATOM 47 CD PRO A 4 5.651 -3.530 -8.027 1.00 0.00 C ATOM 0 HA PRO A 4 8.705 -2.694 -7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.636 -4.433 -9.261 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.132 -4.979 -7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.390 -4.072 -10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.155 -5.443 -8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.817 -3.061 -8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.227 -4.114 -7.210 1.00 0.00 H new ATOM 55 N ALA A 5 7.949 -1.140 -9.803 1.00 0.00 N ATOM 56 CA ALA A 5 8.457 0.023 -10.589 1.00 0.00 C ATOM 57 C ALA A 5 8.893 1.274 -9.749 1.00 0.00 C ATOM 58 O ALA A 5 9.969 1.830 -9.987 1.00 0.00 O ATOM 59 CB ALA A 5 7.384 0.360 -11.642 1.00 0.00 C ATOM 0 H ALA A 5 6.979 -1.381 -10.004 1.00 0.00 H new ATOM 0 HA ALA A 5 9.396 -0.271 -11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.716 1.208 -12.241 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.226 -0.502 -12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.450 0.613 -11.141 1.00 0.00 H new ATOM 65 N ALA A 6 8.112 1.655 -8.718 1.00 0.00 N ATOM 66 CA ALA A 6 8.583 2.584 -7.650 1.00 0.00 C ATOM 67 C ALA A 6 9.796 2.099 -6.777 1.00 0.00 C ATOM 68 O ALA A 6 10.625 2.916 -6.372 1.00 0.00 O ATOM 69 CB ALA A 6 7.354 2.918 -6.786 1.00 0.00 C ATOM 0 H ALA A 6 7.150 1.338 -8.595 1.00 0.00 H new ATOM 0 HA ALA A 6 9.003 3.461 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.646 3.598 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.592 3.392 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.953 2.001 -6.354 1.00 0.00 H new ATOM 75 N GLY A 7 9.939 0.781 -6.542 1.00 0.00 N ATOM 76 CA GLY A 7 11.186 0.190 -5.989 1.00 0.00 C ATOM 77 C GLY A 7 12.479 0.233 -6.839 1.00 0.00 C ATOM 78 O GLY A 7 13.560 0.160 -6.257 1.00 0.00 O ATOM 0 H GLY A 7 9.205 0.097 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.397 0.691 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.980 -0.855 -5.757 1.00 0.00 H new ATOM 82 N GLU A 8 12.392 0.386 -8.173 1.00 0.00 N ATOM 83 CA GLU A 8 13.577 0.671 -9.041 1.00 0.00 C ATOM 84 C GLU A 8 14.204 2.090 -8.807 1.00 0.00 C ATOM 85 O GLU A 8 15.424 2.201 -8.675 1.00 0.00 O ATOM 86 CB GLU A 8 13.203 0.437 -10.537 1.00 0.00 C ATOM 87 CG GLU A 8 14.341 -0.034 -11.488 1.00 0.00 C ATOM 88 CD GLU A 8 15.649 0.759 -11.537 1.00 0.00 C ATOM 89 OE1 GLU A 8 15.812 1.773 -12.207 1.00 0.00 O ATOM 90 OE2 GLU A 8 16.626 0.182 -10.779 1.00 0.00 O ATOM 0 H GLU A 8 11.513 0.319 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 8 14.362 -0.029 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.404 -0.303 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.795 1.367 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.590 -1.061 -11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.934 -0.059 -12.499 1.00 0.00 H new ATOM 97 N LYS A 9 13.387 3.160 -8.710 1.00 0.00 N ATOM 98 CA LYS A 9 13.867 4.500 -8.248 1.00 0.00 C ATOM 99 C LYS A 9 14.359 4.579 -6.759 1.00 0.00 C ATOM 100 O LYS A 9 15.346 5.269 -6.489 1.00 0.00 O ATOM 101 CB LYS A 9 12.864 5.616 -8.642 1.00 0.00 C ATOM 102 CG LYS A 9 11.456 5.549 -8.006 1.00 0.00 C ATOM 103 CD LYS A 9 10.525 6.726 -8.359 1.00 0.00 C ATOM 104 CE LYS A 9 10.882 8.042 -7.646 1.00 0.00 C ATOM 105 NZ LYS A 9 9.913 9.093 -8.013 1.00 0.00 N ATOM 0 H LYS A 9 12.394 3.133 -8.942 1.00 0.00 H new ATOM 0 HA LYS A 9 14.793 4.678 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.308 6.577 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.748 5.600 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.977 4.621 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.565 5.504 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.555 6.889 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.500 6.454 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.878 7.893 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.890 8.353 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.161 9.979 -7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.937 9.244 -9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.957 8.798 -7.729 1.00 0.00 H new ATOM 118 N VAL A 10 13.754 3.822 -5.819 1.00 0.00 N ATOM 119 CA VAL A 10 14.373 3.542 -4.479 1.00 0.00 C ATOM 120 C VAL A 10 15.728 2.743 -4.580 1.00 0.00 C ATOM 121 O VAL A 10 16.710 3.144 -3.947 1.00 0.00 O ATOM 122 CB VAL A 10 13.346 2.904 -3.478 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.937 2.695 -2.063 1.00 0.00 C ATOM 124 CG2 VAL A 10 12.053 3.732 -3.276 1.00 0.00 C ATOM 0 H VAL A 10 12.840 3.389 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 10 14.648 4.508 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 10 13.109 1.954 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.181 2.251 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.799 2.031 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.248 3.656 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.399 3.220 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.309 4.717 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.539 3.843 -4.231 1.00 0.00 H new ATOM 134 N PHE A 11 15.819 1.670 -5.398 1.00 0.00 N ATOM 135 CA PHE A 11 17.118 1.035 -5.765 1.00 0.00 C ATOM 136 C PHE A 11 18.190 1.945 -6.453 1.00 0.00 C ATOM 137 O PHE A 11 19.376 1.667 -6.293 1.00 0.00 O ATOM 138 CB PHE A 11 16.846 -0.262 -6.581 1.00 0.00 C ATOM 139 CG PHE A 11 18.036 -1.238 -6.661 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.456 -1.899 -5.503 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.727 -1.452 -7.859 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.555 -2.749 -5.533 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.823 -2.317 -7.890 1.00 0.00 C ATOM 144 CZ PHE A 11 20.242 -2.954 -6.723 1.00 0.00 C ATOM 0 H PHE A 11 15.008 1.220 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 11 17.596 0.805 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.997 -0.782 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.555 0.017 -7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.922 -1.748 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.412 -0.948 -8.761 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.875 -3.250 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.346 -2.492 -8.818 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.102 -3.608 -6.744 1.00 0.00 H new ATOM 154 N GLY A 12 17.826 3.049 -7.131 1.00 0.00 N ATOM 155 CA GLY A 12 18.798 4.106 -7.528 1.00 0.00 C ATOM 156 C GLY A 12 19.692 4.754 -6.433 1.00 0.00 C ATOM 157 O GLY A 12 20.857 5.060 -6.690 1.00 0.00 O ATOM 0 H GLY A 12 16.867 3.240 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.459 3.680 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.236 4.906 -8.011 1.00 0.00 H new ATOM 161 N LYS A 13 19.159 4.905 -5.211 1.00 0.00 N ATOM 162 CA LYS A 13 19.974 5.186 -3.987 1.00 0.00 C ATOM 163 C LYS A 13 20.910 4.013 -3.516 1.00 0.00 C ATOM 164 O LYS A 13 22.021 4.269 -3.046 1.00 0.00 O ATOM 165 CB LYS A 13 19.013 5.630 -2.848 1.00 0.00 C ATOM 166 CG LYS A 13 18.300 6.988 -3.063 1.00 0.00 C ATOM 167 CD LYS A 13 17.206 7.319 -2.026 1.00 0.00 C ATOM 168 CE LYS A 13 15.909 6.514 -2.224 1.00 0.00 C ATOM 169 NZ LYS A 13 14.864 6.990 -1.298 1.00 0.00 N ATOM 0 H LYS A 13 18.158 4.839 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 13 20.671 5.982 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.254 4.859 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.580 5.681 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.048 7.781 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.852 6.993 -4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.594 7.127 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.976 8.383 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.565 6.614 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.101 5.455 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.994 6.438 -1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.190 6.873 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.670 7.995 -1.480 1.00 0.00 H new ATOM 182 N CYS A 14 20.478 2.744 -3.643 1.00 0.00 N ATOM 183 CA CYS A 14 21.340 1.552 -3.425 1.00 0.00 C ATOM 184 C CYS A 14 22.428 1.261 -4.520 1.00 0.00 C ATOM 185 O CYS A 14 23.529 0.818 -4.180 1.00 0.00 O ATOM 186 CB CYS A 14 20.408 0.323 -3.285 1.00 0.00 C ATOM 187 SG CYS A 14 18.836 0.639 -2.436 1.00 0.00 S ATOM 0 H CYS A 14 19.519 2.509 -3.900 1.00 0.00 H new ATOM 0 HA CYS A 14 21.922 1.763 -2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.193 -0.065 -4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.943 -0.459 -2.746 1.00 0.00 H new ATOM 192 N LYS A 15 22.113 1.446 -5.822 1.00 0.00 N ATOM 193 CA LYS A 15 22.898 0.853 -6.950 1.00 0.00 C ATOM 194 C LYS A 15 24.290 1.456 -7.328 1.00 0.00 C ATOM 195 O LYS A 15 25.042 0.823 -8.074 1.00 0.00 O ATOM 196 CB LYS A 15 21.954 0.645 -8.166 1.00 0.00 C ATOM 197 CG LYS A 15 21.653 1.874 -9.057 1.00 0.00 C ATOM 198 CD LYS A 15 20.403 1.726 -9.954 1.00 0.00 C ATOM 199 CE LYS A 15 20.500 0.650 -11.047 1.00 0.00 C ATOM 200 NZ LYS A 15 19.292 0.692 -11.896 1.00 0.00 N ATOM 0 H LYS A 15 21.316 2.004 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 15 23.253 -0.098 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.386 -0.131 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.005 0.260 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.524 2.747 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.518 2.068 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.546 1.499 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.202 2.686 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.389 0.815 -11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.603 -0.335 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.384 -0.003 -12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.456 0.464 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.185 1.644 -12.301 1.00 0.00 H new ATOM 213 N ALA A 16 24.679 2.610 -6.760 1.00 0.00 N ATOM 214 CA ALA A 16 26.115 2.984 -6.627 1.00 0.00 C ATOM 215 C ALA A 16 26.998 2.017 -5.759 1.00 0.00 C ATOM 216 O ALA A 16 28.177 1.831 -6.070 1.00 0.00 O ATOM 217 CB ALA A 16 26.143 4.428 -6.091 1.00 0.00 C ATOM 0 H ALA A 16 24.031 3.302 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 16 26.580 2.898 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.177 4.753 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.633 5.087 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.639 4.467 -5.125 1.00 0.00 H new ATOM 223 N CYS A 17 26.432 1.398 -4.703 1.00 0.00 N ATOM 224 CA CYS A 17 27.094 0.316 -3.936 1.00 0.00 C ATOM 225 C CYS A 17 26.705 -1.148 -4.359 1.00 0.00 C ATOM 226 O CYS A 17 27.604 -1.990 -4.436 1.00 0.00 O ATOM 227 CB CYS A 17 26.810 0.587 -2.442 1.00 0.00 C ATOM 228 SG CYS A 17 27.175 2.304 -1.951 1.00 0.00 S ATOM 0 H CYS A 17 25.502 1.632 -4.355 1.00 0.00 H new ATOM 0 HA CYS A 17 28.161 0.347 -4.156 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.763 0.369 -2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.406 -0.094 -1.835 1.00 0.00 H new ATOM 233 N HIS A 18 25.409 -1.469 -4.582 1.00 0.00 N ATOM 234 CA HIS A 18 24.923 -2.872 -4.786 1.00 0.00 C ATOM 235 C HIS A 18 24.465 -3.169 -6.254 1.00 0.00 C ATOM 236 O HIS A 18 23.703 -2.403 -6.847 1.00 0.00 O ATOM 237 CB HIS A 18 23.717 -3.136 -3.847 1.00 0.00 C ATOM 238 CG HIS A 18 24.027 -3.241 -2.359 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.380 -4.416 -1.742 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.785 -2.254 -1.398 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.279 -4.065 -0.434 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.921 -2.759 -0.100 1.00 0.00 N ATOM 0 H HIS A 18 24.666 -0.772 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 18 25.767 -3.525 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 18 22.992 -2.335 -3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.235 -4.062 -4.162 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.646 -5.310 -2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.526 -1.231 -1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.474 -4.791 0.341 1.00 0.00 H new ATOM 250 N LYS A 19 24.855 -4.325 -6.825 1.00 0.00 N ATOM 251 CA LYS A 19 24.586 -4.630 -8.268 1.00 0.00 C ATOM 252 C LYS A 19 23.280 -5.443 -8.565 1.00 0.00 C ATOM 253 O LYS A 19 22.553 -5.069 -9.485 1.00 0.00 O ATOM 254 CB LYS A 19 25.831 -5.303 -8.923 1.00 0.00 C ATOM 255 CG LYS A 19 27.055 -4.403 -9.234 1.00 0.00 C ATOM 256 CD LYS A 19 27.852 -3.899 -8.012 1.00 0.00 C ATOM 257 CE LYS A 19 29.167 -3.181 -8.363 1.00 0.00 C ATOM 258 NZ LYS A 19 30.240 -4.144 -8.689 1.00 0.00 N ATOM 0 H LYS A 19 25.352 -5.063 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 19 24.399 -3.659 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.163 -6.106 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.510 -5.767 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.734 -4.958 -9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.710 -3.538 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.223 -3.219 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.077 -4.747 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.004 -2.515 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.478 -2.558 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.112 -3.627 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 30.411 -4.763 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.952 -4.721 -9.505 1.00 0.00 H new ATOM 271 N LEU A 20 23.055 -6.595 -7.894 1.00 0.00 N ATOM 272 CA LEU A 20 22.141 -7.700 -8.361 1.00 0.00 C ATOM 273 C LEU A 20 22.846 -8.706 -9.322 1.00 0.00 C ATOM 274 O LEU A 20 22.778 -9.920 -9.108 1.00 0.00 O ATOM 275 CB LEU A 20 20.720 -7.321 -8.895 1.00 0.00 C ATOM 276 CG LEU A 20 19.849 -6.418 -7.989 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.685 -5.794 -8.780 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.277 -7.170 -6.779 1.00 0.00 C ATOM 0 H LEU A 20 23.501 -6.801 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 20 21.921 -8.184 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.841 -6.821 -9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.171 -8.244 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 20 20.513 -5.634 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.091 -5.165 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.082 -5.189 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.057 -6.586 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.675 -6.488 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.655 -7.996 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.095 -7.561 -6.174 1.00 0.00 H new ATOM 290 N ASP A 21 23.541 -8.210 -10.359 1.00 0.00 N ATOM 291 CA ASP A 21 24.125 -9.059 -11.435 1.00 0.00 C ATOM 292 C ASP A 21 25.508 -9.691 -11.049 1.00 0.00 C ATOM 293 O ASP A 21 26.541 -9.391 -11.654 1.00 0.00 O ATOM 294 CB ASP A 21 24.132 -8.178 -12.715 1.00 0.00 C ATOM 295 CG ASP A 21 24.451 -8.927 -14.010 1.00 0.00 C ATOM 296 OD1 ASP A 21 23.796 -9.874 -14.431 1.00 0.00 O ATOM 297 OD2 ASP A 21 25.544 -8.424 -14.647 1.00 0.00 O ATOM 0 H ASP A 21 23.719 -7.213 -10.484 1.00 0.00 H new ATOM 0 HA ASP A 21 23.524 -9.951 -11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.156 -7.704 -12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.862 -7.379 -12.585 1.00 0.00 H new ATOM 302 N GLY A 22 25.514 -10.577 -10.037 1.00 0.00 N ATOM 303 CA GLY A 22 26.718 -11.375 -9.654 1.00 0.00 C ATOM 304 C GLY A 22 28.040 -10.692 -9.210 1.00 0.00 C ATOM 305 O GLY A 22 29.072 -11.364 -9.206 1.00 0.00 O ATOM 0 H GLY A 22 24.696 -10.767 -9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.415 -12.035 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.961 -12.010 -10.506 1.00 0.00 H new ATOM 309 N ASN A 23 28.025 -9.402 -8.840 1.00 0.00 N ATOM 310 CA ASN A 23 29.240 -8.655 -8.407 1.00 0.00 C ATOM 311 C ASN A 23 28.953 -7.823 -7.115 1.00 0.00 C ATOM 312 O ASN A 23 27.816 -7.473 -6.780 1.00 0.00 O ATOM 313 CB ASN A 23 29.770 -7.724 -9.535 1.00 0.00 C ATOM 314 CG ASN A 23 30.239 -8.371 -10.842 1.00 0.00 C ATOM 315 OD1 ASN A 23 31.407 -8.697 -11.013 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.377 -8.551 -11.813 1.00 0.00 N ATOM 0 H ASN A 23 27.175 -8.838 -8.829 1.00 0.00 H new ATOM 0 HA ASN A 23 30.011 -9.393 -8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.981 -7.013 -9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.603 -7.149 -9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.682 -8.958 -12.697 1.00 0.00 H new ATOM 0 HD22 ASN A 23 28.401 -8.284 -11.684 1.00 0.00 H new ATOM 323 N ASP A 24 30.036 -7.485 -6.404 1.00 0.00 N ATOM 324 CA ASP A 24 29.959 -6.834 -5.063 1.00 0.00 C ATOM 325 C ASP A 24 30.440 -5.350 -5.150 1.00 0.00 C ATOM 326 O ASP A 24 29.613 -4.441 -5.245 1.00 0.00 O ATOM 327 CB ASP A 24 30.673 -7.725 -3.997 1.00 0.00 C ATOM 328 CG ASP A 24 30.130 -9.148 -3.786 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.960 -9.467 -3.983 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.088 -10.004 -3.320 1.00 0.00 O ATOM 0 H ASP A 24 30.990 -7.648 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 24 28.927 -6.762 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.725 -7.803 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.633 -7.204 -3.041 1.00 0.00 H new ATOM 335 N GLY A 25 31.759 -5.087 -5.155 1.00 0.00 N ATOM 336 CA GLY A 25 32.302 -3.703 -5.259 1.00 0.00 C ATOM 337 C GLY A 25 32.389 -2.968 -3.910 1.00 0.00 C ATOM 338 O GLY A 25 33.370 -3.128 -3.181 1.00 0.00 O ATOM 0 H GLY A 25 32.476 -5.809 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 25 33.296 -3.745 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 25 31.673 -3.126 -5.937 1.00 0.00 H new ATOM 342 N VAL A 26 31.344 -2.195 -3.583 1.00 0.00 N ATOM 343 CA VAL A 26 31.141 -1.667 -2.196 1.00 0.00 C ATOM 344 C VAL A 26 30.169 -2.623 -1.431 1.00 0.00 C ATOM 345 O VAL A 26 30.586 -3.227 -0.442 1.00 0.00 O ATOM 346 CB VAL A 26 30.713 -0.156 -2.162 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.553 0.405 -0.728 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.675 0.796 -2.905 1.00 0.00 C ATOM 0 H VAL A 26 30.621 -1.914 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 26 32.097 -1.664 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 26 29.752 -0.177 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.256 1.453 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.789 -0.164 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.501 0.321 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.304 1.818 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.666 0.736 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.735 0.506 -3.954 1.00 0.00 H new ATOM 358 N GLY A 27 28.897 -2.749 -1.856 1.00 0.00 N ATOM 359 CA GLY A 27 27.916 -3.638 -1.195 1.00 0.00 C ATOM 360 C GLY A 27 27.707 -5.004 -1.905 1.00 0.00 C ATOM 361 O GLY A 27 27.666 -5.028 -3.139 1.00 0.00 O ATOM 0 H GLY A 27 28.521 -2.244 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.242 -3.821 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 27 26.958 -3.122 -1.137 1.00 0.00 H new ATOM 365 N PRO A 28 27.515 -6.157 -1.204 1.00 0.00 N ATOM 366 CA PRO A 28 27.350 -7.479 -1.866 1.00 0.00 C ATOM 367 C PRO A 28 26.038 -7.670 -2.689 1.00 0.00 C ATOM 368 O PRO A 28 25.005 -7.070 -2.379 1.00 0.00 O ATOM 369 CB PRO A 28 27.465 -8.436 -0.665 1.00 0.00 C ATOM 370 CG PRO A 28 26.973 -7.645 0.546 1.00 0.00 C ATOM 371 CD PRO A 28 27.453 -6.225 0.267 1.00 0.00 C ATOM 0 HA PRO A 28 28.088 -7.642 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.862 -9.331 -0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.494 -8.766 -0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.888 -7.690 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.390 -8.034 1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.765 -5.483 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.427 -6.036 0.718 1.00 0.00 H new ATOM 379 N HIS A 29 26.072 -8.515 -3.737 1.00 0.00 N ATOM 380 CA HIS A 29 24.899 -8.716 -4.644 1.00 0.00 C ATOM 381 C HIS A 29 23.571 -9.171 -3.938 1.00 0.00 C ATOM 382 O HIS A 29 23.533 -10.167 -3.208 1.00 0.00 O ATOM 383 CB HIS A 29 25.267 -9.600 -5.870 1.00 0.00 C ATOM 384 CG HIS A 29 25.807 -11.016 -5.644 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.098 -11.392 -5.982 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.049 -12.140 -5.279 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.996 -12.745 -5.800 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.813 -13.290 -5.376 1.00 0.00 N ATOM 0 H HIS A 29 26.889 -9.072 -3.985 1.00 0.00 H new ATOM 0 HA HIS A 29 24.657 -7.719 -5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.375 -9.686 -6.490 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.010 -9.056 -6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.016 -12.111 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.847 -13.382 -5.990 1.00 0.00 H new ATOM 0 HE2 HIS A 29 25.567 -14.262 -5.187 1.00 0.00 H new ATOM 396 N LEU A 30 22.481 -8.413 -4.154 1.00 0.00 N ATOM 397 CA LEU A 30 21.196 -8.594 -3.409 1.00 0.00 C ATOM 398 C LEU A 30 20.123 -9.483 -4.134 1.00 0.00 C ATOM 399 O LEU A 30 18.922 -9.354 -3.873 1.00 0.00 O ATOM 400 CB LEU A 30 20.645 -7.170 -3.082 1.00 0.00 C ATOM 401 CG LEU A 30 21.467 -6.251 -2.142 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.733 -4.915 -1.948 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.768 -6.857 -0.762 1.00 0.00 C ATOM 0 H LEU A 30 22.453 -7.660 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 30 21.410 -9.159 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.512 -6.642 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.655 -7.292 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 30 22.428 -6.112 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.315 -4.273 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.609 -4.424 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.754 -5.099 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.346 -6.147 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.832 -7.078 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.340 -7.777 -0.885 1.00 0.00 H new ATOM 415 N ASN A 31 20.555 -10.397 -5.020 1.00 0.00 N ATOM 416 CA ASN A 31 19.658 -11.196 -5.904 1.00 0.00 C ATOM 417 C ASN A 31 18.802 -12.268 -5.153 1.00 0.00 C ATOM 418 O ASN A 31 19.220 -13.405 -4.932 1.00 0.00 O ATOM 419 CB ASN A 31 20.481 -11.737 -7.108 1.00 0.00 C ATOM 420 CG ASN A 31 21.719 -12.627 -6.883 1.00 0.00 C ATOM 421 OD1 ASN A 31 21.949 -13.246 -5.848 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.576 -12.707 -7.870 1.00 0.00 N ATOM 0 H ASN A 31 21.544 -10.611 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 31 18.885 -10.537 -6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.793 -12.300 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.809 -10.873 -7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.417 -13.276 -7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.403 -12.200 -8.738 1.00 0.00 H new ATOM 429 N GLY A 32 17.611 -11.862 -4.686 1.00 0.00 N ATOM 430 CA GLY A 32 16.885 -12.604 -3.625 1.00 0.00 C ATOM 431 C GLY A 32 17.477 -12.487 -2.200 1.00 0.00 C ATOM 432 O GLY A 32 17.661 -13.497 -1.524 1.00 0.00 O ATOM 0 H GLY A 32 17.126 -11.029 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.854 -12.251 -3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.854 -13.658 -3.900 1.00 0.00 H new ATOM 436 N VAL A 33 17.749 -11.258 -1.732 1.00 0.00 N ATOM 437 CA VAL A 33 18.017 -10.976 -0.282 1.00 0.00 C ATOM 438 C VAL A 33 16.783 -11.144 0.686 1.00 0.00 C ATOM 439 O VAL A 33 16.972 -11.479 1.859 1.00 0.00 O ATOM 440 CB VAL A 33 18.779 -9.616 -0.124 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.941 -8.351 -0.417 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.436 -9.475 1.267 1.00 0.00 C ATOM 0 H VAL A 33 17.793 -10.430 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 33 18.675 -11.772 0.067 1.00 0.00 H new ATOM 0 HB VAL A 33 19.545 -9.669 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.560 -7.464 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.579 -8.384 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.092 -8.311 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.952 -8.517 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.668 -9.525 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.152 -10.284 1.415 1.00 0.00 H new ATOM 452 N VAL A 34 15.539 -10.941 0.209 1.00 0.00 N ATOM 453 CA VAL A 34 14.291 -11.140 1.007 1.00 0.00 C ATOM 454 C VAL A 34 14.056 -12.678 1.221 1.00 0.00 C ATOM 455 O VAL A 34 13.709 -13.401 0.281 1.00 0.00 O ATOM 456 CB VAL A 34 13.076 -10.430 0.307 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.792 -10.479 1.167 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.304 -8.947 -0.077 1.00 0.00 C ATOM 0 H VAL A 34 15.360 -10.632 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 34 14.393 -10.680 1.990 1.00 0.00 H new ATOM 0 HB VAL A 34 12.967 -11.007 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.982 -9.975 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.516 -11.517 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.972 -9.979 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.406 -8.552 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.523 -8.368 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.143 -8.875 -0.769 1.00 0.00 H new ATOM 468 N GLY A 35 14.308 -13.174 2.444 1.00 0.00 N ATOM 469 CA GLY A 35 14.474 -14.639 2.694 1.00 0.00 C ATOM 470 C GLY A 35 15.897 -15.267 2.640 1.00 0.00 C ATOM 471 O GLY A 35 16.014 -16.478 2.837 1.00 0.00 O ATOM 0 H GLY A 35 14.403 -12.596 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.060 -14.852 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.856 -15.167 1.968 1.00 0.00 H new ATOM 475 N ARG A 36 16.967 -14.487 2.412 1.00 0.00 N ATOM 476 CA ARG A 36 18.379 -14.949 2.556 1.00 0.00 C ATOM 477 C ARG A 36 18.868 -14.793 4.030 1.00 0.00 C ATOM 478 O ARG A 36 18.442 -13.867 4.726 1.00 0.00 O ATOM 479 CB ARG A 36 19.192 -14.034 1.598 1.00 0.00 C ATOM 480 CG ARG A 36 20.707 -14.304 1.412 1.00 0.00 C ATOM 481 CD ARG A 36 21.436 -13.181 0.641 1.00 0.00 C ATOM 482 NE ARG A 36 21.075 -13.127 -0.804 1.00 0.00 N ATOM 483 CZ ARG A 36 21.776 -13.654 -1.809 1.00 0.00 C ATOM 484 NH1 ARG A 36 22.900 -14.309 -1.669 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.311 -13.512 -3.010 1.00 0.00 N ATOM 0 H ARG A 36 16.888 -13.513 2.121 1.00 0.00 H new ATOM 0 HA ARG A 36 18.495 -16.005 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.724 -14.088 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.081 -13.008 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.171 -14.424 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.839 -15.246 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.202 -12.222 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.512 -13.325 0.734 1.00 0.00 H new ATOM 0 HE ARG A 36 20.211 -12.642 -1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.298 -14.446 -0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.378 -14.683 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.436 -13.010 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.820 -13.902 -3.803 1.00 0.00 H new ATOM 499 N THR A 37 19.835 -15.615 4.488 1.00 0.00 N ATOM 500 CA THR A 37 20.566 -15.341 5.767 1.00 0.00 C ATOM 501 C THR A 37 21.214 -13.915 5.839 1.00 0.00 C ATOM 502 O THR A 37 21.660 -13.340 4.837 1.00 0.00 O ATOM 503 CB THR A 37 21.602 -16.456 6.111 1.00 0.00 C ATOM 504 OG1 THR A 37 22.033 -16.327 7.461 1.00 0.00 O ATOM 505 CG2 THR A 37 22.888 -16.403 5.283 1.00 0.00 C ATOM 0 H THR A 37 20.133 -16.464 4.008 1.00 0.00 H new ATOM 0 HA THR A 37 19.794 -15.357 6.536 1.00 0.00 H new ATOM 0 HB THR A 37 21.072 -17.385 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.646 -15.567 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.551 -17.213 5.588 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.645 -16.511 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.386 -15.447 5.445 1.00 0.00 H new ATOM 513 N VAL A 38 21.361 -13.414 7.065 1.00 0.00 N ATOM 514 CA VAL A 38 22.265 -12.276 7.366 1.00 0.00 C ATOM 515 C VAL A 38 23.744 -12.802 7.383 1.00 0.00 C ATOM 516 O VAL A 38 24.047 -13.828 8.003 1.00 0.00 O ATOM 517 CB VAL A 38 21.806 -11.568 8.684 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.601 -10.267 8.956 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.292 -11.252 8.746 1.00 0.00 C ATOM 0 H VAL A 38 20.866 -13.774 7.881 1.00 0.00 H new ATOM 0 HA VAL A 38 22.218 -11.506 6.595 1.00 0.00 H new ATOM 0 HB VAL A 38 22.019 -12.302 9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.247 -9.811 9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.661 -10.501 9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.454 -9.572 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.061 -10.762 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.024 -10.592 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.723 -12.179 8.669 1.00 0.00 H new ATOM 529 N ALA A 39 24.620 -12.142 6.599 1.00 0.00 N ATOM 530 CA ALA A 39 25.930 -12.703 6.153 1.00 0.00 C ATOM 531 C ALA A 39 25.815 -13.922 5.176 1.00 0.00 C ATOM 532 O ALA A 39 26.012 -15.072 5.577 1.00 0.00 O ATOM 533 CB ALA A 39 26.919 -12.901 7.322 1.00 0.00 C ATOM 0 H ALA A 39 24.446 -11.199 6.251 1.00 0.00 H new ATOM 0 HA ALA A 39 26.380 -11.933 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.855 -13.311 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.112 -11.942 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.490 -13.591 8.049 1.00 0.00 H new ATOM 539 N GLY A 40 25.489 -13.670 3.890 1.00 0.00 N ATOM 540 CA GLY A 40 25.282 -14.764 2.899 1.00 0.00 C ATOM 541 C GLY A 40 25.517 -14.427 1.413 1.00 0.00 C ATOM 542 O GLY A 40 24.626 -14.639 0.585 1.00 0.00 O ATOM 0 H GLY A 40 25.363 -12.732 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.942 -15.590 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 40 24.259 -15.126 3.005 1.00 0.00 H new ATOM 546 N VAL A 41 26.733 -13.979 1.075 1.00 0.00 N ATOM 547 CA VAL A 41 27.219 -13.856 -0.334 1.00 0.00 C ATOM 548 C VAL A 41 28.699 -14.366 -0.325 1.00 0.00 C ATOM 549 O VAL A 41 29.580 -13.741 0.280 1.00 0.00 O ATOM 550 CB VAL A 41 27.061 -12.404 -0.918 1.00 0.00 C ATOM 551 CG1 VAL A 41 27.753 -12.200 -2.285 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.586 -11.973 -1.104 1.00 0.00 C ATOM 0 H VAL A 41 27.424 -13.686 1.766 1.00 0.00 H new ATOM 0 HA VAL A 41 26.611 -14.459 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 41 27.546 -11.790 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.599 -11.175 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 41 28.821 -12.392 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.327 -12.889 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 41 25.551 -10.962 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.091 -12.658 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.076 -11.995 -0.141 1.00 0.00 H new ATOM 562 N ASP A 42 28.982 -15.482 -1.026 1.00 0.00 N ATOM 563 CA ASP A 42 30.359 -16.047 -1.130 1.00 0.00 C ATOM 564 C ASP A 42 31.285 -15.145 -2.017 1.00 0.00 C ATOM 565 O ASP A 42 31.115 -15.066 -3.238 1.00 0.00 O ATOM 566 CB ASP A 42 30.218 -17.503 -1.646 1.00 0.00 C ATOM 567 CG ASP A 42 31.506 -18.322 -1.561 1.00 0.00 C ATOM 568 OD1 ASP A 42 31.997 -18.709 -0.507 1.00 0.00 O ATOM 569 OD2 ASP A 42 32.050 -18.566 -2.784 1.00 0.00 O ATOM 0 H ASP A 42 28.278 -16.018 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 42 30.855 -16.065 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 42 29.441 -18.007 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 42 29.883 -17.479 -2.683 1.00 0.00 H new ATOM 574 N GLY A 43 32.221 -14.430 -1.373 1.00 0.00 N ATOM 575 CA GLY A 43 32.951 -13.304 -2.021 1.00 0.00 C ATOM 576 C GLY A 43 33.217 -12.063 -1.138 1.00 0.00 C ATOM 577 O GLY A 43 34.299 -11.482 -1.232 1.00 0.00 O ATOM 0 H GLY A 43 32.497 -14.603 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.909 -13.679 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.384 -12.986 -2.896 1.00 0.00 H new ATOM 581 N PHE A 44 32.234 -11.615 -0.336 1.00 0.00 N ATOM 582 CA PHE A 44 32.349 -10.369 0.470 1.00 0.00 C ATOM 583 C PHE A 44 32.902 -10.599 1.921 1.00 0.00 C ATOM 584 O PHE A 44 32.560 -11.571 2.603 1.00 0.00 O ATOM 585 CB PHE A 44 30.945 -9.700 0.440 1.00 0.00 C ATOM 586 CG PHE A 44 30.903 -8.283 1.035 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.411 -7.202 0.307 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.471 -8.083 2.351 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.522 -5.949 0.901 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.579 -6.828 2.941 1.00 0.00 C ATOM 591 CZ PHE A 44 31.110 -5.762 2.218 1.00 0.00 C ATOM 0 H PHE A 44 31.342 -12.096 -0.223 1.00 0.00 H new ATOM 0 HA PHE A 44 33.099 -9.708 0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.598 -9.658 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.244 -10.331 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.718 -7.341 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.052 -8.906 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.928 -5.120 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.251 -6.680 3.959 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.202 -4.790 2.679 1.00 0.00 H new ATOM 601 N ASN A 45 33.712 -9.638 2.410 1.00 0.00 N ATOM 602 CA ASN A 45 34.199 -9.618 3.817 1.00 0.00 C ATOM 603 C ASN A 45 33.135 -8.990 4.785 1.00 0.00 C ATOM 604 O ASN A 45 33.063 -7.769 4.962 1.00 0.00 O ATOM 605 CB ASN A 45 35.561 -8.868 3.812 1.00 0.00 C ATOM 606 CG ASN A 45 36.341 -8.920 5.130 1.00 0.00 C ATOM 607 OD1 ASN A 45 37.162 -9.798 5.363 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.111 -7.996 6.033 1.00 0.00 N ATOM 0 H ASN A 45 34.049 -8.855 1.850 1.00 0.00 H new ATOM 0 HA ASN A 45 34.349 -10.627 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.185 -9.287 3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.381 -7.824 3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.614 -8.013 6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 45 35.429 -7.261 5.848 1.00 0.00 H new ATOM 615 N TYR A 46 32.339 -9.850 5.433 1.00 0.00 N ATOM 616 CA TYR A 46 31.285 -9.425 6.401 1.00 0.00 C ATOM 617 C TYR A 46 31.842 -9.066 7.819 1.00 0.00 C ATOM 618 O TYR A 46 32.862 -9.603 8.263 1.00 0.00 O ATOM 619 CB TYR A 46 30.244 -10.582 6.494 1.00 0.00 C ATOM 620 CG TYR A 46 29.320 -10.712 5.273 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.203 -9.881 5.191 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.595 -11.595 4.224 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.384 -9.903 4.067 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.766 -11.629 3.103 1.00 0.00 C ATOM 625 CZ TYR A 46 27.661 -10.784 3.028 1.00 0.00 C ATOM 626 OH TYR A 46 26.833 -10.843 1.943 1.00 0.00 O ATOM 0 H TYR A 46 32.397 -10.861 5.311 1.00 0.00 H new ATOM 0 HA TYR A 46 30.830 -8.505 6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.777 -11.523 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.631 -10.431 7.382 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.972 -9.214 6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.451 -12.252 4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.536 -9.238 4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.981 -12.310 2.293 1.00 0.00 H new ATOM 0 HH TYR A 46 26.118 -10.180 2.040 1.00 0.00 H new ATOM 636 N SER A 47 31.141 -8.179 8.557 1.00 0.00 N ATOM 637 CA SER A 47 31.509 -7.844 9.960 1.00 0.00 C ATOM 638 C SER A 47 31.145 -8.956 11.003 1.00 0.00 C ATOM 639 O SER A 47 30.242 -9.774 10.793 1.00 0.00 O ATOM 640 CB SER A 47 30.899 -6.460 10.304 1.00 0.00 C ATOM 641 OG SER A 47 29.500 -6.508 10.584 1.00 0.00 O ATOM 0 H SER A 47 30.320 -7.681 8.212 1.00 0.00 H new ATOM 0 HA SER A 47 32.596 -7.791 10.029 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.420 -6.047 11.167 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.072 -5.779 9.471 1.00 0.00 H new ATOM 0 HG SER A 47 29.289 -5.879 11.305 1.00 0.00 H new ATOM 647 N ASP A 48 31.839 -8.970 12.156 1.00 0.00 N ATOM 648 CA ASP A 48 31.563 -9.939 13.261 1.00 0.00 C ATOM 649 C ASP A 48 30.108 -9.921 13.866 1.00 0.00 C ATOM 650 O ASP A 48 29.553 -11.021 13.962 1.00 0.00 O ATOM 651 CB ASP A 48 32.656 -9.832 14.360 1.00 0.00 C ATOM 652 CG ASP A 48 34.070 -10.212 13.913 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.274 -11.563 13.918 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.910 -9.383 13.577 1.00 0.00 O ATOM 0 H ASP A 48 32.601 -8.322 12.358 1.00 0.00 H new ATOM 0 HA ASP A 48 31.610 -10.919 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.673 -8.808 14.734 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.372 -10.472 15.196 1.00 0.00 H new ATOM 659 N PRO A 49 29.424 -8.793 14.241 1.00 0.00 N ATOM 660 CA PRO A 49 27.973 -8.818 14.597 1.00 0.00 C ATOM 661 C PRO A 49 26.964 -9.135 13.435 1.00 0.00 C ATOM 662 O PRO A 49 25.894 -9.689 13.694 1.00 0.00 O ATOM 663 CB PRO A 49 27.790 -7.434 15.244 1.00 0.00 C ATOM 664 CG PRO A 49 28.788 -6.533 14.520 1.00 0.00 C ATOM 665 CD PRO A 49 29.977 -7.425 14.181 1.00 0.00 C ATOM 0 HA PRO A 49 27.727 -9.655 15.250 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.769 -7.072 15.123 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.991 -7.468 16.315 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.348 -6.107 13.618 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.092 -5.698 15.152 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.377 -7.199 13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.792 -7.292 14.893 1.00 0.00 H new ATOM 673 N MET A 50 27.315 -8.840 12.168 1.00 0.00 N ATOM 674 CA MET A 50 26.602 -9.371 10.971 1.00 0.00 C ATOM 675 C MET A 50 26.670 -10.930 10.800 1.00 0.00 C ATOM 676 O MET A 50 25.629 -11.570 10.628 1.00 0.00 O ATOM 677 CB MET A 50 27.171 -8.585 9.761 1.00 0.00 C ATOM 678 CG MET A 50 26.368 -8.696 8.464 1.00 0.00 C ATOM 679 SD MET A 50 24.754 -7.943 8.696 1.00 0.00 S ATOM 680 CE MET A 50 24.517 -7.246 7.063 1.00 0.00 C ATOM 0 H MET A 50 28.098 -8.229 11.937 1.00 0.00 H new ATOM 0 HA MET A 50 25.528 -9.214 11.075 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.241 -7.532 10.035 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.186 -8.933 9.570 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.899 -8.201 7.651 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.256 -9.743 8.181 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.455 -7.071 6.893 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.057 -6.302 6.988 1.00 0.00 H new ATOM 0 HE3 MET A 50 24.895 -7.940 6.313 1.00 0.00 H new ATOM 690 N LYS A 51 27.870 -11.537 10.899 1.00 0.00 N ATOM 691 CA LYS A 51 28.041 -13.017 11.005 1.00 0.00 C ATOM 692 C LYS A 51 27.389 -13.680 12.268 1.00 0.00 C ATOM 693 O LYS A 51 26.761 -14.733 12.133 1.00 0.00 O ATOM 694 CB LYS A 51 29.555 -13.361 10.901 1.00 0.00 C ATOM 695 CG LYS A 51 30.225 -13.049 9.538 1.00 0.00 C ATOM 696 CD LYS A 51 31.725 -13.402 9.452 1.00 0.00 C ATOM 697 CE LYS A 51 32.631 -12.515 10.324 1.00 0.00 C ATOM 698 NZ LYS A 51 34.052 -12.817 10.068 1.00 0.00 N ATOM 0 H LYS A 51 28.752 -11.024 10.909 1.00 0.00 H new ATOM 0 HA LYS A 51 27.488 -13.450 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.087 -12.814 11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.683 -14.423 11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.694 -13.592 8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.105 -11.987 9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 51 31.860 -14.442 9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.047 -13.322 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.433 -11.464 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.403 -12.677 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.649 -12.209 10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.241 -13.815 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.270 -12.640 9.067 1.00 0.00 H new ATOM 711 N ALA A 52 27.492 -13.069 13.467 1.00 0.00 N ATOM 712 CA ALA A 52 26.727 -13.507 14.669 1.00 0.00 C ATOM 713 C ALA A 52 25.162 -13.390 14.640 1.00 0.00 C ATOM 714 O ALA A 52 24.505 -14.111 15.395 1.00 0.00 O ATOM 715 CB ALA A 52 27.323 -12.749 15.869 1.00 0.00 C ATOM 0 H ALA A 52 28.099 -12.267 13.636 1.00 0.00 H new ATOM 0 HA ALA A 52 26.848 -14.589 14.726 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.795 -13.035 16.779 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.379 -12.998 15.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.217 -11.676 15.711 1.00 0.00 H new ATOM 721 N HIS A 53 24.556 -12.544 13.778 1.00 0.00 N ATOM 722 CA HIS A 53 23.090 -12.579 13.497 1.00 0.00 C ATOM 723 C HIS A 53 22.639 -13.913 12.801 1.00 0.00 C ATOM 724 O HIS A 53 21.864 -14.668 13.396 1.00 0.00 O ATOM 725 CB HIS A 53 22.701 -11.269 12.741 1.00 0.00 C ATOM 726 CG HIS A 53 21.201 -10.941 12.613 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.213 -11.847 12.238 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.641 -9.655 12.754 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.129 -11.011 12.207 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.283 -9.682 12.491 1.00 0.00 N ATOM 0 H HIS A 53 25.056 -11.822 13.259 1.00 0.00 H new ATOM 0 HA HIS A 53 22.527 -12.595 14.430 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.186 -10.433 13.245 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.121 -11.323 11.736 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.196 -8.770 13.029 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.153 -11.401 11.958 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.595 -8.929 12.505 1.00 0.00 H new ATOM 738 N GLY A 54 23.095 -14.201 11.563 1.00 0.00 N ATOM 739 CA GLY A 54 22.641 -15.398 10.803 1.00 0.00 C ATOM 740 C GLY A 54 21.155 -15.350 10.374 1.00 0.00 C ATOM 741 O GLY A 54 20.725 -14.389 9.736 1.00 0.00 O ATOM 0 H GLY A 54 23.775 -13.626 11.065 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.261 -15.506 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.803 -16.286 11.414 1.00 0.00 H new ATOM 745 N GLY A 55 20.365 -16.376 10.724 1.00 0.00 N ATOM 746 CA GLY A 55 18.878 -16.318 10.627 1.00 0.00 C ATOM 747 C GLY A 55 18.294 -16.014 9.229 1.00 0.00 C ATOM 748 O GLY A 55 18.534 -16.778 8.292 1.00 0.00 O ATOM 0 H GLY A 55 20.722 -17.263 11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.476 -17.273 10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.519 -15.557 11.320 1.00 0.00 H new ATOM 752 N ASP A 56 17.568 -14.888 9.089 1.00 0.00 N ATOM 753 CA ASP A 56 17.136 -14.378 7.760 1.00 0.00 C ATOM 754 C ASP A 56 16.901 -12.836 7.719 1.00 0.00 C ATOM 755 O ASP A 56 16.413 -12.219 8.672 1.00 0.00 O ATOM 756 CB ASP A 56 15.828 -15.080 7.279 1.00 0.00 C ATOM 757 CG ASP A 56 15.947 -16.502 6.745 1.00 0.00 C ATOM 758 OD1 ASP A 56 16.750 -16.575 5.651 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.361 -17.465 7.228 1.00 0.00 O ATOM 0 H ASP A 56 17.266 -14.311 9.874 1.00 0.00 H new ATOM 0 HA ASP A 56 17.967 -14.611 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.127 -15.092 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.384 -14.464 6.498 1.00 0.00 H new ATOM 764 N TRP A 57 17.105 -12.255 6.520 1.00 0.00 N ATOM 765 CA TRP A 57 16.472 -10.971 6.125 1.00 0.00 C ATOM 766 C TRP A 57 14.998 -11.163 5.649 1.00 0.00 C ATOM 767 O TRP A 57 14.698 -11.250 4.456 1.00 0.00 O ATOM 768 CB TRP A 57 17.351 -10.246 5.060 1.00 0.00 C ATOM 769 CG TRP A 57 18.562 -9.465 5.587 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.891 -9.648 5.149 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.637 -8.573 6.651 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.799 -8.901 5.929 1.00 0.00 N ATOM 773 CE2 TRP A 57 20.005 -8.297 6.887 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.646 -8.095 7.555 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.398 -7.669 8.089 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.059 -7.459 8.720 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.416 -7.274 8.997 1.00 0.00 C ATOM 0 H TRP A 57 17.707 -12.655 5.800 1.00 0.00 H new ATOM 0 HA TRP A 57 16.416 -10.332 7.007 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.709 -10.991 4.349 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.715 -9.556 4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.177 -10.280 4.321 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.809 -8.824 5.813 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.596 -8.224 7.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.443 -7.497 8.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.320 -7.102 9.422 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.709 -6.817 9.931 1.00 0.00 H new ATOM 788 N THR A 58 14.071 -11.196 6.616 1.00 0.00 N ATOM 789 CA THR A 58 12.606 -11.297 6.355 1.00 0.00 C ATOM 790 C THR A 58 11.965 -9.946 5.857 1.00 0.00 C ATOM 791 O THR A 58 12.498 -8.875 6.189 1.00 0.00 O ATOM 792 CB THR A 58 11.880 -11.795 7.651 1.00 0.00 C ATOM 793 OG1 THR A 58 12.087 -10.905 8.745 1.00 0.00 O ATOM 794 CG2 THR A 58 12.271 -13.204 8.130 1.00 0.00 C ATOM 0 H THR A 58 14.304 -11.154 7.608 1.00 0.00 H new ATOM 0 HA THR A 58 12.474 -12.014 5.545 1.00 0.00 H new ATOM 0 HB THR A 58 10.834 -11.827 7.346 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.619 -11.245 9.536 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.711 -13.450 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.040 -13.930 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.339 -13.231 8.347 1.00 0.00 H new ATOM 802 N PRO A 59 10.781 -9.910 5.163 1.00 0.00 N ATOM 803 CA PRO A 59 10.029 -8.635 4.908 1.00 0.00 C ATOM 804 C PRO A 59 9.325 -7.936 6.138 1.00 0.00 C ATOM 805 O PRO A 59 8.250 -7.345 6.019 1.00 0.00 O ATOM 806 CB PRO A 59 9.071 -9.095 3.788 1.00 0.00 C ATOM 807 CG PRO A 59 8.788 -10.570 4.076 1.00 0.00 C ATOM 808 CD PRO A 59 10.117 -11.109 4.604 1.00 0.00 C ATOM 0 HA PRO A 59 10.691 -7.810 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.151 -8.510 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.525 -8.967 2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.991 -10.687 4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.473 -11.098 3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.965 -11.875 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.710 -11.562 3.810 1.00 0.00 H new ATOM 816 N GLU A 60 10.011 -7.945 7.289 1.00 0.00 N ATOM 817 CA GLU A 60 9.805 -7.019 8.439 1.00 0.00 C ATOM 818 C GLU A 60 11.174 -6.648 9.120 1.00 0.00 C ATOM 819 O GLU A 60 11.375 -5.481 9.467 1.00 0.00 O ATOM 820 CB GLU A 60 8.778 -7.582 9.467 1.00 0.00 C ATOM 821 CG GLU A 60 7.286 -7.277 9.166 1.00 0.00 C ATOM 822 CD GLU A 60 6.904 -5.794 9.231 1.00 0.00 C ATOM 823 OE1 GLU A 60 6.613 -5.396 10.504 1.00 0.00 O ATOM 824 OE2 GLU A 60 6.879 -5.054 8.251 1.00 0.00 O ATOM 0 H GLU A 60 10.756 -8.619 7.463 1.00 0.00 H new ATOM 0 HA GLU A 60 9.375 -6.099 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.904 -8.663 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.020 -7.181 10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.046 -7.656 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.668 -7.828 9.875 1.00 0.00 H new ATOM 831 N ALA A 61 12.139 -7.585 9.283 1.00 0.00 N ATOM 832 CA ALA A 61 13.554 -7.253 9.618 1.00 0.00 C ATOM 833 C ALA A 61 14.285 -6.269 8.639 1.00 0.00 C ATOM 834 O ALA A 61 14.926 -5.323 9.106 1.00 0.00 O ATOM 835 CB ALA A 61 14.304 -8.591 9.766 1.00 0.00 C ATOM 0 H ALA A 61 11.965 -8.586 9.188 1.00 0.00 H new ATOM 0 HA ALA A 61 13.549 -6.681 10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.348 -8.398 10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.846 -9.179 10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.249 -9.145 8.829 1.00 0.00 H new ATOM 841 N LEU A 62 14.129 -6.426 7.306 1.00 0.00 N ATOM 842 CA LEU A 62 14.500 -5.366 6.321 1.00 0.00 C ATOM 843 C LEU A 62 13.740 -4.000 6.440 1.00 0.00 C ATOM 844 O LEU A 62 14.339 -2.977 6.122 1.00 0.00 O ATOM 845 CB LEU A 62 14.374 -5.898 4.870 1.00 0.00 C ATOM 846 CG LEU A 62 15.328 -7.035 4.424 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.869 -7.619 3.081 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.772 -6.518 4.283 1.00 0.00 C ATOM 0 H LEU A 62 13.750 -7.272 6.880 1.00 0.00 H new ATOM 0 HA LEU A 62 15.534 -5.136 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.351 -6.247 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.519 -5.056 4.193 1.00 0.00 H new ATOM 0 HG LEU A 62 15.302 -7.811 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.548 -8.417 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.861 -8.021 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.871 -6.835 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.422 -7.335 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.803 -5.723 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.115 -6.130 5.242 1.00 0.00 H new ATOM 860 N GLN A 63 12.476 -3.936 6.899 1.00 0.00 N ATOM 861 CA GLN A 63 11.766 -2.637 7.152 1.00 0.00 C ATOM 862 C GLN A 63 12.425 -1.702 8.218 1.00 0.00 C ATOM 863 O GLN A 63 12.483 -0.484 8.021 1.00 0.00 O ATOM 864 CB GLN A 63 10.274 -2.884 7.552 1.00 0.00 C ATOM 865 CG GLN A 63 9.210 -2.931 6.436 1.00 0.00 C ATOM 866 CD GLN A 63 9.235 -4.104 5.456 1.00 0.00 C ATOM 867 OE1 GLN A 63 10.033 -5.030 5.531 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.348 -4.097 4.491 1.00 0.00 N ATOM 0 H GLN A 63 11.913 -4.761 7.107 1.00 0.00 H new ATOM 0 HA GLN A 63 11.840 -2.111 6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.228 -3.829 8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.985 -2.101 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.229 -2.917 6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.296 -2.012 5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.679 -3.331 4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.327 -4.858 3.812 1.00 0.00 H new ATOM 877 N GLU A 64 12.880 -2.272 9.340 1.00 0.00 N ATOM 878 CA GLU A 64 13.739 -1.545 10.317 1.00 0.00 C ATOM 879 C GLU A 64 15.243 -1.439 9.897 1.00 0.00 C ATOM 880 O GLU A 64 15.802 -0.345 10.008 1.00 0.00 O ATOM 881 CB GLU A 64 13.504 -2.121 11.739 1.00 0.00 C ATOM 882 CG GLU A 64 14.088 -1.279 12.909 1.00 0.00 C ATOM 883 CD GLU A 64 13.545 0.144 13.091 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.472 0.547 12.648 1.00 0.00 O ATOM 885 OE2 GLU A 64 14.399 0.925 13.809 1.00 0.00 O ATOM 0 H GLU A 64 12.674 -3.235 9.605 1.00 0.00 H new ATOM 0 HA GLU A 64 13.431 -0.499 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.431 -2.231 11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.937 -3.121 11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.918 -1.826 13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.167 -1.213 12.771 1.00 0.00 H new ATOM 892 N PHE A 65 15.895 -2.504 9.380 1.00 0.00 N ATOM 893 CA PHE A 65 17.283 -2.408 8.825 1.00 0.00 C ATOM 894 C PHE A 65 17.467 -1.427 7.625 1.00 0.00 C ATOM 895 O PHE A 65 18.465 -0.712 7.595 1.00 0.00 O ATOM 896 CB PHE A 65 17.770 -3.838 8.495 1.00 0.00 C ATOM 897 CG PHE A 65 19.234 -3.998 8.038 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.278 -3.943 8.967 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.520 -4.337 6.710 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.576 -4.278 8.591 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.818 -4.679 6.340 1.00 0.00 C ATOM 902 CZ PHE A 65 21.838 -4.679 7.286 1.00 0.00 C ATOM 0 H PHE A 65 15.493 -3.440 9.331 1.00 0.00 H new ATOM 0 HA PHE A 65 17.905 -1.954 9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.623 -4.457 9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.126 -4.242 7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.076 -3.638 9.983 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.732 -4.333 5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.378 -4.226 9.312 1.00 0.00 H new ATOM 0 HE2 PHE A 65 21.034 -4.945 5.316 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.834 -4.991 7.007 1.00 0.00 H new ATOM 912 N LEU A 66 16.529 -1.330 6.671 1.00 0.00 N ATOM 913 CA LEU A 66 16.552 -0.238 5.653 1.00 0.00 C ATOM 914 C LEU A 66 16.216 1.218 6.127 1.00 0.00 C ATOM 915 O LEU A 66 16.373 2.142 5.329 1.00 0.00 O ATOM 916 CB LEU A 66 15.706 -0.699 4.434 1.00 0.00 C ATOM 917 CG LEU A 66 16.233 -1.938 3.653 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.351 -2.205 2.426 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.711 -1.804 3.236 1.00 0.00 C ATOM 0 H LEU A 66 15.749 -1.980 6.573 1.00 0.00 H new ATOM 0 HA LEU A 66 17.599 -0.104 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.697 -0.919 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.628 0.136 3.737 1.00 0.00 H new ATOM 0 HG LEU A 66 16.179 -2.787 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.730 -3.074 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.327 -2.396 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.369 -1.335 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.019 -2.699 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.830 -0.932 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.331 -1.686 4.125 1.00 0.00 H new ATOM 931 N THR A 67 15.838 1.452 7.395 1.00 0.00 N ATOM 932 CA THR A 67 15.727 2.819 8.002 1.00 0.00 C ATOM 933 C THR A 67 16.790 3.116 9.108 1.00 0.00 C ATOM 934 O THR A 67 17.300 4.236 9.165 1.00 0.00 O ATOM 935 CB THR A 67 14.253 3.054 8.425 1.00 0.00 C ATOM 936 OG1 THR A 67 13.476 3.103 7.240 1.00 0.00 O ATOM 937 CG2 THR A 67 13.938 4.365 9.158 1.00 0.00 C ATOM 0 H THR A 67 15.596 0.703 8.044 1.00 0.00 H new ATOM 0 HA THR A 67 15.983 3.564 7.249 1.00 0.00 H new ATOM 0 HB THR A 67 14.036 2.242 9.119 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.186 4.025 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.875 4.403 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.518 4.415 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.197 5.210 8.520 1.00 0.00 H new ATOM 945 N ASN A 68 17.128 2.167 9.991 1.00 0.00 N ATOM 946 CA ASN A 68 18.267 2.285 10.936 1.00 0.00 C ATOM 947 C ASN A 68 19.155 0.988 10.792 1.00 0.00 C ATOM 948 O ASN A 68 19.034 0.088 11.632 1.00 0.00 O ATOM 949 CB ASN A 68 17.687 2.565 12.353 1.00 0.00 C ATOM 950 CG ASN A 68 17.448 4.009 12.817 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.704 4.350 13.965 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.943 4.906 12.007 1.00 0.00 N ATOM 0 H ASN A 68 16.621 1.286 10.077 1.00 0.00 H new ATOM 0 HA ASN A 68 18.935 3.120 10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.734 2.041 12.421 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.358 2.100 13.075 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.774 5.856 12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.718 4.655 11.044 1.00 0.00 H new ATOM 959 N PRO A 69 20.075 0.856 9.778 1.00 0.00 N ATOM 960 CA PRO A 69 20.935 -0.349 9.585 1.00 0.00 C ATOM 961 C PRO A 69 21.781 -0.836 10.790 1.00 0.00 C ATOM 962 O PRO A 69 21.805 -2.031 11.101 1.00 0.00 O ATOM 963 CB PRO A 69 21.816 0.037 8.369 1.00 0.00 C ATOM 964 CG PRO A 69 21.046 1.105 7.593 1.00 0.00 C ATOM 965 CD PRO A 69 20.140 1.768 8.624 1.00 0.00 C ATOM 0 HA PRO A 69 20.301 -1.224 9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.783 0.418 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.012 -0.832 7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.724 1.829 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.465 0.663 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.536 2.739 8.920 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.146 1.942 8.211 1.00 0.00 H new ATOM 973 N LYS A 70 22.430 0.109 11.484 1.00 0.00 N ATOM 974 CA LYS A 70 23.157 -0.204 12.744 1.00 0.00 C ATOM 975 C LYS A 70 22.284 -0.446 14.027 1.00 0.00 C ATOM 976 O LYS A 70 22.777 -1.076 14.958 1.00 0.00 O ATOM 977 CB LYS A 70 24.336 0.778 12.957 1.00 0.00 C ATOM 978 CG LYS A 70 23.930 2.216 13.330 1.00 0.00 C ATOM 979 CD LYS A 70 25.097 3.151 13.709 1.00 0.00 C ATOM 980 CE LYS A 70 25.989 3.548 12.520 1.00 0.00 C ATOM 981 NZ LYS A 70 27.043 4.481 12.960 1.00 0.00 N ATOM 0 H LYS A 70 22.473 1.090 11.207 1.00 0.00 H new ATOM 0 HA LYS A 70 23.567 -1.202 12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.980 0.383 13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.931 0.810 12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.393 2.654 12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.233 2.174 14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.692 4.055 14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.712 2.661 14.464 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.441 2.658 12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.384 4.013 11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.638 4.741 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.605 5.337 13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.630 4.024 13.687 1.00 0.00 H new ATOM 994 N ALA A 71 21.012 -0.003 14.107 1.00 0.00 N ATOM 995 CA ALA A 71 20.087 -0.429 15.199 1.00 0.00 C ATOM 996 C ALA A 71 19.683 -1.942 15.194 1.00 0.00 C ATOM 997 O ALA A 71 19.629 -2.561 16.259 1.00 0.00 O ATOM 998 CB ALA A 71 18.853 0.489 15.149 1.00 0.00 C ATOM 0 H ALA A 71 20.596 0.645 13.438 1.00 0.00 H new ATOM 0 HA ALA A 71 20.627 -0.326 16.140 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.155 0.204 15.936 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.163 1.524 15.296 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.366 0.391 14.179 1.00 0.00 H new ATOM 1004 N VAL A 72 19.430 -2.538 14.012 1.00 0.00 N ATOM 1005 CA VAL A 72 19.240 -4.014 13.864 1.00 0.00 C ATOM 1006 C VAL A 72 20.600 -4.807 13.935 1.00 0.00 C ATOM 1007 O VAL A 72 20.660 -5.818 14.640 1.00 0.00 O ATOM 1008 CB VAL A 72 18.369 -4.294 12.586 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.203 -5.789 12.251 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.940 -3.701 12.642 1.00 0.00 C ATOM 0 H VAL A 72 19.350 -2.025 13.134 1.00 0.00 H new ATOM 0 HA VAL A 72 18.684 -4.404 14.717 1.00 0.00 H new ATOM 0 HB VAL A 72 18.952 -3.794 11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.589 -5.895 11.356 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.183 -6.233 12.074 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.719 -6.297 13.085 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.410 -3.942 11.721 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.403 -4.125 13.491 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.999 -2.618 12.754 1.00 0.00 H new ATOM 1020 N VAL A 73 21.667 -4.389 13.220 1.00 0.00 N ATOM 1021 CA VAL A 73 23.018 -5.032 13.315 1.00 0.00 C ATOM 1022 C VAL A 73 24.013 -3.967 13.884 1.00 0.00 C ATOM 1023 O VAL A 73 24.566 -3.176 13.115 1.00 0.00 O ATOM 1024 CB VAL A 73 23.478 -5.589 11.920 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.900 -6.200 11.938 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.557 -6.666 11.309 1.00 0.00 C ATOM 0 H VAL A 73 21.630 -3.607 12.566 1.00 0.00 H new ATOM 0 HA VAL A 73 22.987 -5.892 13.984 1.00 0.00 H new ATOM 0 HB VAL A 73 23.443 -4.689 11.306 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.152 -6.565 10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.620 -5.438 12.238 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.931 -7.028 12.646 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.959 -6.986 10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.501 -7.521 11.982 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.559 -6.252 11.165 1.00 0.00 H new ATOM 1036 N LYS A 74 24.297 -3.961 15.201 1.00 0.00 N ATOM 1037 CA LYS A 74 25.219 -2.956 15.828 1.00 0.00 C ATOM 1038 C LYS A 74 26.716 -3.188 15.435 1.00 0.00 C ATOM 1039 O LYS A 74 27.467 -3.934 16.069 1.00 0.00 O ATOM 1040 CB LYS A 74 25.007 -2.966 17.367 1.00 0.00 C ATOM 1041 CG LYS A 74 23.728 -2.247 17.854 1.00 0.00 C ATOM 1042 CD LYS A 74 23.790 -0.701 17.934 1.00 0.00 C ATOM 1043 CE LYS A 74 24.406 -0.091 19.209 1.00 0.00 C ATOM 1044 NZ LYS A 74 25.880 -0.131 19.209 1.00 0.00 N ATOM 0 H LYS A 74 23.909 -4.634 15.862 1.00 0.00 H new ATOM 0 HA LYS A 74 24.972 -1.967 15.442 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.976 -4.001 17.708 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.871 -2.500 17.841 1.00 0.00 H new ATOM 0 HG2 LYS A 74 22.909 -2.521 17.189 1.00 0.00 H new ATOM 0 HG3 LYS A 74 23.478 -2.630 18.843 1.00 0.00 H new ATOM 0 HD2 LYS A 74 24.358 -0.340 17.077 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.776 -0.315 17.830 1.00 0.00 H new ATOM 0 HE2 LYS A 74 24.075 0.943 19.307 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.033 -0.629 20.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 26.246 0.555 19.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 26.201 -1.086 19.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 26.234 0.110 18.261 1.00 0.00 H new ATOM 1057 N GLY A 75 27.093 -2.528 14.336 1.00 0.00 N ATOM 1058 CA GLY A 75 28.353 -2.813 13.594 1.00 0.00 C ATOM 1059 C GLY A 75 28.208 -3.533 12.228 1.00 0.00 C ATOM 1060 O GLY A 75 28.996 -4.433 11.921 1.00 0.00 O ATOM 0 H GLY A 75 26.540 -1.776 13.924 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.871 -1.869 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.994 -3.420 14.233 1.00 0.00 H new ATOM 1064 N THR A 76 27.271 -3.101 11.368 1.00 0.00 N ATOM 1065 CA THR A 76 27.263 -3.454 9.921 1.00 0.00 C ATOM 1066 C THR A 76 28.283 -2.556 9.150 1.00 0.00 C ATOM 1067 O THR A 76 28.350 -1.342 9.372 1.00 0.00 O ATOM 1068 CB THR A 76 25.804 -3.364 9.371 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.755 -3.897 8.055 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.124 -1.987 9.294 1.00 0.00 C ATOM 0 H THR A 76 26.496 -2.499 11.646 1.00 0.00 H new ATOM 0 HA THR A 76 27.590 -4.483 9.772 1.00 0.00 H new ATOM 0 HB THR A 76 25.251 -3.923 10.126 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.838 -3.841 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.118 -2.100 8.891 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.068 -1.552 10.292 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.703 -1.331 8.644 1.00 0.00 H new ATOM 1078 N LYS A 77 29.034 -3.122 8.194 1.00 0.00 N ATOM 1079 CA LYS A 77 29.907 -2.317 7.272 1.00 0.00 C ATOM 1080 C LYS A 77 29.168 -1.403 6.208 1.00 0.00 C ATOM 1081 O LYS A 77 29.802 -0.916 5.269 1.00 0.00 O ATOM 1082 CB LYS A 77 30.888 -3.333 6.606 1.00 0.00 C ATOM 1083 CG LYS A 77 31.988 -3.937 7.517 1.00 0.00 C ATOM 1084 CD LYS A 77 33.383 -3.319 7.319 1.00 0.00 C ATOM 1085 CE LYS A 77 34.435 -3.982 8.222 1.00 0.00 C ATOM 1086 NZ LYS A 77 35.758 -3.374 7.993 1.00 0.00 N ATOM 0 H LYS A 77 29.067 -4.127 8.025 1.00 0.00 H new ATOM 0 HA LYS A 77 30.423 -1.565 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.300 -4.153 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.376 -2.836 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 77 31.691 -3.810 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.049 -5.009 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 77 33.682 -3.423 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.341 -2.251 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.151 -3.868 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.478 -5.052 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 36.461 -3.830 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 36.033 -3.504 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.715 -2.358 8.210 1.00 0.00 H new ATOM 1099 N MET A 78 27.851 -1.148 6.355 1.00 0.00 N ATOM 1100 CA MET A 78 27.030 -0.394 5.375 1.00 0.00 C ATOM 1101 C MET A 78 26.953 1.116 5.755 1.00 0.00 C ATOM 1102 O MET A 78 26.279 1.495 6.720 1.00 0.00 O ATOM 1103 CB MET A 78 25.646 -1.103 5.277 1.00 0.00 C ATOM 1104 CG MET A 78 24.645 -0.425 4.319 1.00 0.00 C ATOM 1105 SD MET A 78 23.514 -1.609 3.479 1.00 0.00 S ATOM 1106 CE MET A 78 21.943 -0.854 4.038 1.00 0.00 C ATOM 0 H MET A 78 27.318 -1.462 7.166 1.00 0.00 H new ATOM 0 HA MET A 78 27.483 -0.401 4.384 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.801 -2.131 4.951 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.204 -1.147 6.272 1.00 0.00 H new ATOM 0 HG2 MET A 78 24.051 0.297 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.198 0.134 3.564 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.117 -1.531 3.822 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.990 -0.669 5.111 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.786 0.089 3.514 1.00 0.00 H new ATOM 1116 N ALA A 79 27.592 1.986 4.949 1.00 0.00 N ATOM 1117 CA ALA A 79 27.504 3.462 5.128 1.00 0.00 C ATOM 1118 C ALA A 79 26.200 4.091 4.523 1.00 0.00 C ATOM 1119 O ALA A 79 26.228 4.854 3.553 1.00 0.00 O ATOM 1120 CB ALA A 79 28.813 4.032 4.547 1.00 0.00 C ATOM 0 H ALA A 79 28.177 1.699 4.165 1.00 0.00 H new ATOM 0 HA ALA A 79 27.412 3.725 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.813 5.117 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.663 3.617 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.890 3.765 3.493 1.00 0.00 H new ATOM 1126 N PHE A 80 25.049 3.762 5.133 1.00 0.00 N ATOM 1127 CA PHE A 80 23.708 4.190 4.659 1.00 0.00 C ATOM 1128 C PHE A 80 22.919 4.873 5.820 1.00 0.00 C ATOM 1129 O PHE A 80 22.764 4.315 6.912 1.00 0.00 O ATOM 1130 CB PHE A 80 22.993 2.940 4.079 1.00 0.00 C ATOM 1131 CG PHE A 80 21.627 3.190 3.421 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.521 3.994 2.279 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.474 2.606 3.956 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.281 4.214 1.688 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.237 2.820 3.359 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.142 3.631 2.235 1.00 0.00 C ATOM 0 H PHE A 80 25.015 3.188 5.975 1.00 0.00 H new ATOM 0 HA PHE A 80 23.780 4.940 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.650 2.479 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.860 2.216 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.406 4.445 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.545 1.986 4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.203 4.835 0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.351 2.357 3.768 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.178 3.810 1.783 1.00 0.00 H new ATOM 1146 N ALA A 81 22.376 6.072 5.552 1.00 0.00 N ATOM 1147 CA ALA A 81 21.570 6.836 6.544 1.00 0.00 C ATOM 1148 C ALA A 81 20.082 6.400 6.767 1.00 0.00 C ATOM 1149 O ALA A 81 19.495 6.804 7.774 1.00 0.00 O ATOM 1150 CB ALA A 81 21.659 8.310 6.101 1.00 0.00 C ATOM 0 H ALA A 81 22.476 6.543 4.653 1.00 0.00 H new ATOM 0 HA ALA A 81 21.995 6.636 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.086 8.932 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.701 8.629 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.252 8.413 5.095 1.00 0.00 H new ATOM 1156 N GLY A 82 19.481 5.601 5.863 1.00 0.00 N ATOM 1157 CA GLY A 82 18.089 5.107 6.029 1.00 0.00 C ATOM 1158 C GLY A 82 17.019 5.660 5.060 1.00 0.00 C ATOM 1159 O GLY A 82 17.057 6.810 4.616 1.00 0.00 O ATOM 0 H GLY A 82 19.934 5.281 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.103 4.021 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.771 5.332 7.047 1.00 0.00 H new ATOM 1163 N LEU A 83 15.996 4.831 4.814 1.00 0.00 N ATOM 1164 CA LEU A 83 14.778 5.217 4.054 1.00 0.00 C ATOM 1165 C LEU A 83 13.664 5.840 4.971 1.00 0.00 C ATOM 1166 O LEU A 83 13.406 5.282 6.046 1.00 0.00 O ATOM 1167 CB LEU A 83 14.222 3.964 3.319 1.00 0.00 C ATOM 1168 CG LEU A 83 15.088 3.380 2.173 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.430 2.129 1.584 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.298 4.385 1.036 1.00 0.00 C ATOM 0 H LEU A 83 15.981 3.863 5.135 1.00 0.00 H new ATOM 0 HA LEU A 83 15.063 5.987 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.065 3.179 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.244 4.217 2.910 1.00 0.00 H new ATOM 0 HG LEU A 83 16.055 3.135 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.053 1.734 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.320 1.375 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.448 2.387 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.910 3.930 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.332 4.669 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.801 5.271 1.422 1.00 0.00 H new ATOM 1182 N PRO A 84 12.948 6.945 4.605 1.00 0.00 N ATOM 1183 CA PRO A 84 11.981 7.611 5.524 1.00 0.00 C ATOM 1184 C PRO A 84 10.561 6.962 5.614 1.00 0.00 C ATOM 1185 O PRO A 84 10.111 6.647 6.721 1.00 0.00 O ATOM 1186 CB PRO A 84 12.004 9.058 4.987 1.00 0.00 C ATOM 1187 CG PRO A 84 12.279 8.932 3.484 1.00 0.00 C ATOM 1188 CD PRO A 84 13.182 7.702 3.357 1.00 0.00 C ATOM 0 HA PRO A 84 12.264 7.523 6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.054 9.560 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.777 9.647 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.354 8.804 2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.768 9.825 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.926 7.110 2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.229 7.986 3.255 1.00 0.00 H new ATOM 1196 N LYS A 85 9.855 6.749 4.486 1.00 0.00 N ATOM 1197 CA LYS A 85 8.477 6.191 4.481 1.00 0.00 C ATOM 1198 C LYS A 85 8.484 4.634 4.527 1.00 0.00 C ATOM 1199 O LYS A 85 9.371 3.970 3.977 1.00 0.00 O ATOM 1200 CB LYS A 85 7.724 6.661 3.207 1.00 0.00 C ATOM 1201 CG LYS A 85 7.598 8.181 2.938 1.00 0.00 C ATOM 1202 CD LYS A 85 6.762 8.953 3.983 1.00 0.00 C ATOM 1203 CE LYS A 85 6.618 10.457 3.685 1.00 0.00 C ATOM 1204 NZ LYS A 85 7.878 11.194 3.926 1.00 0.00 N ATOM 0 H LYS A 85 10.216 6.956 3.555 1.00 0.00 H new ATOM 0 HA LYS A 85 7.970 6.556 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.219 6.212 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.716 6.247 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.598 8.614 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.150 8.327 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.769 8.508 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.222 8.830 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.311 10.593 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.828 10.876 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.737 12.202 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.158 11.086 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.626 10.812 3.313 1.00 0.00 H new ATOM 1217 N ILE A 86 7.454 4.034 5.147 1.00 0.00 N ATOM 1218 CA ILE A 86 7.208 2.554 5.058 1.00 0.00 C ATOM 1219 C ILE A 86 6.960 2.039 3.590 1.00 0.00 C ATOM 1220 O ILE A 86 7.492 0.992 3.214 1.00 0.00 O ATOM 1221 CB ILE A 86 6.151 2.127 6.140 1.00 0.00 C ATOM 1222 CG1 ILE A 86 6.327 0.687 6.709 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.673 2.418 5.773 1.00 0.00 C ATOM 1224 CD1 ILE A 86 6.101 -0.508 5.765 1.00 0.00 C ATOM 0 H ILE A 86 6.772 4.534 5.717 1.00 0.00 H new ATOM 0 HA ILE A 86 8.125 2.022 5.312 1.00 0.00 H new ATOM 0 HB ILE A 86 6.396 2.805 6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.339 0.609 7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.644 0.578 7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.025 2.086 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.541 3.489 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.413 1.884 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.261 -1.438 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.080 -0.482 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.801 -0.451 4.932 1.00 0.00 H new ATOM 1236 N GLU A 87 6.270 2.827 2.734 1.00 0.00 N ATOM 1237 CA GLU A 87 6.227 2.577 1.266 1.00 0.00 C ATOM 1238 C GLU A 87 7.587 2.623 0.497 1.00 0.00 C ATOM 1239 O GLU A 87 7.719 1.894 -0.484 1.00 0.00 O ATOM 1240 CB GLU A 87 5.135 3.457 0.602 1.00 0.00 C ATOM 1241 CG GLU A 87 5.385 4.984 0.505 1.00 0.00 C ATOM 1242 CD GLU A 87 4.308 5.719 -0.287 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.549 5.705 -1.627 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.334 6.261 0.225 1.00 0.00 O ATOM 0 H GLU A 87 5.734 3.643 3.030 1.00 0.00 H new ATOM 0 HA GLU A 87 5.958 1.525 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.973 3.081 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.206 3.306 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.437 5.402 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.354 5.158 0.037 1.00 0.00 H new ATOM 1251 N ASP A 88 8.607 3.404 0.922 1.00 0.00 N ATOM 1252 CA ASP A 88 9.964 3.342 0.294 1.00 0.00 C ATOM 1253 C ASP A 88 10.644 1.936 0.422 1.00 0.00 C ATOM 1254 O ASP A 88 10.973 1.319 -0.594 1.00 0.00 O ATOM 1255 CB ASP A 88 10.885 4.474 0.836 1.00 0.00 C ATOM 1256 CG ASP A 88 10.558 5.921 0.472 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.492 6.126 -0.877 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.421 6.803 1.315 1.00 0.00 O ATOM 0 H ASP A 88 8.528 4.077 1.684 1.00 0.00 H new ATOM 0 HA ASP A 88 9.815 3.504 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.895 4.400 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.899 4.268 0.494 1.00 0.00 H new ATOM 1263 N ARG A 89 10.799 1.416 1.653 1.00 0.00 N ATOM 1264 CA ARG A 89 11.228 0.009 1.889 1.00 0.00 C ATOM 1265 C ARG A 89 10.250 -1.111 1.401 1.00 0.00 C ATOM 1266 O ARG A 89 10.734 -2.046 0.763 1.00 0.00 O ATOM 1267 CB ARG A 89 11.748 -0.189 3.335 1.00 0.00 C ATOM 1268 CG ARG A 89 10.880 0.329 4.509 1.00 0.00 C ATOM 1269 CD ARG A 89 11.463 1.562 5.238 1.00 0.00 C ATOM 1270 NE ARG A 89 11.053 1.499 6.672 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.625 2.504 7.428 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.328 3.683 6.964 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.525 2.302 8.709 1.00 0.00 N ATOM 0 H ARG A 89 10.635 1.945 2.509 1.00 0.00 H new ATOM 0 HA ARG A 89 12.070 -0.138 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.908 -1.256 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.723 0.293 3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.890 0.581 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.749 -0.477 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.550 1.573 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.099 2.481 4.779 1.00 0.00 H new ATOM 0 HE ARG A 89 11.107 0.584 7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.419 3.876 5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.004 4.414 7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.772 1.394 9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.200 3.052 9.320 1.00 0.00 H new ATOM 1287 N ALA A 90 8.921 -1.043 1.620 1.00 0.00 N ATOM 1288 CA ALA A 90 7.956 -2.011 1.014 1.00 0.00 C ATOM 1289 C ALA A 90 7.918 -2.102 -0.553 1.00 0.00 C ATOM 1290 O ALA A 90 7.929 -3.211 -1.096 1.00 0.00 O ATOM 1291 CB ALA A 90 6.576 -1.733 1.634 1.00 0.00 C ATOM 0 H ALA A 90 8.483 -0.334 2.208 1.00 0.00 H new ATOM 0 HA ALA A 90 8.314 -3.011 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.843 -2.422 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.628 -1.871 2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.278 -0.708 1.413 1.00 0.00 H new ATOM 1297 N ASN A 91 7.957 -0.966 -1.274 1.00 0.00 N ATOM 1298 CA ASN A 91 8.180 -0.932 -2.754 1.00 0.00 C ATOM 1299 C ASN A 91 9.560 -1.516 -3.225 1.00 0.00 C ATOM 1300 O ASN A 91 9.589 -2.329 -4.151 1.00 0.00 O ATOM 1301 CB ASN A 91 7.966 0.518 -3.278 1.00 0.00 C ATOM 1302 CG ASN A 91 6.540 1.088 -3.197 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.540 0.395 -3.050 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.389 2.384 -3.319 1.00 0.00 N ATOM 0 H ASN A 91 7.836 -0.042 -0.860 1.00 0.00 H new ATOM 0 HA ASN A 91 7.441 -1.602 -3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.628 1.181 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.285 0.552 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.455 2.794 -3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.205 2.983 -3.442 1.00 0.00 H new ATOM 1311 N LEU A 92 10.687 -1.149 -2.576 1.00 0.00 N ATOM 1312 CA LEU A 92 12.002 -1.849 -2.729 1.00 0.00 C ATOM 1313 C LEU A 92 11.985 -3.396 -2.457 1.00 0.00 C ATOM 1314 O LEU A 92 12.496 -4.172 -3.269 1.00 0.00 O ATOM 1315 CB LEU A 92 13.006 -1.062 -1.830 1.00 0.00 C ATOM 1316 CG LEU A 92 14.520 -1.404 -1.842 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.858 -2.749 -1.179 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.137 -1.327 -3.244 1.00 0.00 C ATOM 0 H LEU A 92 10.721 -0.361 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 92 12.304 -1.833 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.914 -0.008 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.663 -1.165 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 92 14.975 -0.625 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.934 -2.918 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.539 -2.731 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.341 -3.553 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.197 -1.576 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.632 -2.033 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.022 -0.317 -3.637 1.00 0.00 H new ATOM 1330 N ILE A 93 11.410 -3.842 -1.328 1.00 0.00 N ATOM 1331 CA ILE A 93 11.272 -5.288 -0.964 1.00 0.00 C ATOM 1332 C ILE A 93 10.390 -6.090 -1.992 1.00 0.00 C ATOM 1333 O ILE A 93 10.833 -7.141 -2.460 1.00 0.00 O ATOM 1334 CB ILE A 93 10.882 -5.353 0.565 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.069 -4.906 1.487 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.358 -6.729 1.044 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.706 -4.517 2.931 1.00 0.00 C ATOM 0 H ILE A 93 11.019 -3.213 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 93 12.211 -5.833 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 93 10.052 -4.652 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.796 -5.717 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.564 -4.055 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.116 -6.677 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.463 -6.994 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.125 -7.486 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.609 -4.227 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.007 -3.680 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.244 -5.368 3.432 1.00 0.00 H new ATOM 1349 N ALA A 94 9.224 -5.564 -2.421 1.00 0.00 N ATOM 1350 CA ALA A 94 8.503 -6.062 -3.630 1.00 0.00 C ATOM 1351 C ALA A 94 9.292 -6.090 -4.990 1.00 0.00 C ATOM 1352 O ALA A 94 9.192 -7.073 -5.729 1.00 0.00 O ATOM 1353 CB ALA A 94 7.221 -5.215 -3.737 1.00 0.00 C ATOM 0 H ALA A 94 8.753 -4.791 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 94 8.316 -7.125 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.647 -5.533 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.620 -5.349 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.487 -4.163 -3.842 1.00 0.00 H new ATOM 1359 N TYR A 95 10.095 -5.051 -5.302 1.00 0.00 N ATOM 1360 CA TYR A 95 11.078 -5.054 -6.425 1.00 0.00 C ATOM 1361 C TYR A 95 12.100 -6.239 -6.390 1.00 0.00 C ATOM 1362 O TYR A 95 12.047 -7.084 -7.284 1.00 0.00 O ATOM 1363 CB TYR A 95 11.692 -3.620 -6.464 1.00 0.00 C ATOM 1364 CG TYR A 95 12.906 -3.406 -7.375 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.728 -3.256 -8.749 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.203 -3.433 -6.846 1.00 0.00 C ATOM 1367 CE1 TYR A 95 13.830 -3.139 -9.584 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.305 -3.341 -7.691 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.119 -3.191 -9.060 1.00 0.00 C ATOM 1370 OH TYR A 95 16.203 -3.149 -9.897 1.00 0.00 O ATOM 0 H TYR A 95 10.085 -4.174 -4.781 1.00 0.00 H new ATOM 0 HA TYR A 95 10.586 -5.262 -7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 95 10.911 -2.926 -6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 95 11.978 -3.347 -5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.731 -3.231 -9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.348 -3.525 -5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.687 -3.007 -10.646 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.304 -3.386 -7.283 1.00 0.00 H new ATOM 0 HH TYR A 95 16.087 -3.805 -10.616 1.00 0.00 H new ATOM 1380 N LEU A 96 13.006 -6.311 -5.400 1.00 0.00 N ATOM 1381 CA LEU A 96 14.071 -7.367 -5.359 1.00 0.00 C ATOM 1382 C LEU A 96 13.710 -8.765 -4.731 1.00 0.00 C ATOM 1383 O LEU A 96 14.560 -9.661 -4.700 1.00 0.00 O ATOM 1384 CB LEU A 96 15.427 -6.747 -4.906 1.00 0.00 C ATOM 1385 CG LEU A 96 15.503 -5.879 -3.622 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.025 -6.627 -2.370 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.938 -5.363 -3.425 1.00 0.00 C ATOM 0 H LEU A 96 13.035 -5.661 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 96 14.178 -7.700 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 96 16.132 -7.569 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.793 -6.135 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 96 14.825 -5.037 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.101 -5.971 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.988 -6.934 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.647 -7.508 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 96 16.985 -4.754 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.619 -6.209 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 96 17.229 -4.760 -4.285 1.00 0.00 H new ATOM 1399 N GLU A 97 12.434 -9.023 -4.382 1.00 0.00 N ATOM 1400 CA GLU A 97 11.808 -10.371 -4.553 1.00 0.00 C ATOM 1401 C GLU A 97 11.735 -10.854 -6.047 1.00 0.00 C ATOM 1402 O GLU A 97 12.218 -11.947 -6.352 1.00 0.00 O ATOM 1403 CB GLU A 97 10.396 -10.368 -3.895 1.00 0.00 C ATOM 1404 CG GLU A 97 10.391 -10.405 -2.350 1.00 0.00 C ATOM 1405 CD GLU A 97 9.010 -10.248 -1.719 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.276 -11.393 -1.789 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.608 -9.214 -1.195 1.00 0.00 O ATOM 0 H GLU A 97 11.809 -8.324 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 97 12.455 -11.092 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.862 -9.476 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.838 -11.228 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.822 -11.350 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.039 -9.612 -1.978 1.00 0.00 H new ATOM 1414 N GLY A 98 11.150 -10.060 -6.967 1.00 0.00 N ATOM 1415 CA GLY A 98 11.103 -10.399 -8.418 1.00 0.00 C ATOM 1416 C GLY A 98 12.367 -10.127 -9.269 1.00 0.00 C ATOM 1417 O GLY A 98 12.772 -10.993 -10.046 1.00 0.00 O ATOM 0 H GLY A 98 10.700 -9.174 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.863 -11.459 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.275 -9.847 -8.863 1.00 0.00 H new ATOM 1421 N GLN A 99 12.958 -8.926 -9.168 1.00 0.00 N ATOM 1422 CA GLN A 99 14.142 -8.523 -9.971 1.00 0.00 C ATOM 1423 C GLN A 99 15.465 -8.895 -9.237 1.00 0.00 C ATOM 1424 O GLN A 99 15.900 -8.220 -8.296 1.00 0.00 O ATOM 1425 CB GLN A 99 14.042 -7.009 -10.303 1.00 0.00 C ATOM 1426 CG GLN A 99 14.902 -6.613 -11.538 1.00 0.00 C ATOM 1427 CD GLN A 99 14.650 -5.223 -12.123 1.00 0.00 C ATOM 1428 OE1 GLN A 99 15.485 -4.324 -12.062 1.00 0.00 O ATOM 1429 NE2 GLN A 99 13.489 -4.989 -12.689 1.00 0.00 N ATOM 0 H GLN A 99 12.634 -8.200 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 99 14.156 -9.072 -10.913 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.000 -6.749 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.364 -6.428 -9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.953 -6.681 -11.258 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.733 -7.350 -12.323 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.790 -5.730 -12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.286 -4.066 -13.074 1.00 0.00 H new ATOM 1438 N GLN A 100 16.071 -10.003 -9.674 1.00 0.00 N ATOM 1439 CA GLN A 100 17.175 -10.660 -8.953 1.00 0.00 C ATOM 1440 C GLN A 100 18.224 -11.221 -9.943 1.00 0.00 C ATOM 1441 O GLN A 100 19.383 -10.744 -9.906 1.00 0.00 O ATOM 1442 CB GLN A 100 16.589 -11.713 -7.970 1.00 0.00 C ATOM 1443 CG GLN A 100 15.528 -12.733 -8.463 1.00 0.00 C ATOM 1444 CD GLN A 100 15.324 -13.915 -7.509 1.00 0.00 C ATOM 1445 OE1 GLN A 100 16.065 -14.892 -7.515 1.00 0.00 O ATOM 1446 NE2 GLN A 100 14.330 -13.889 -6.654 1.00 0.00 N ATOM 1447 OXT GLN A 100 17.917 -12.139 -10.739 1.00 0.00 O ATOM 0 H GLN A 100 15.812 -10.474 -10.541 1.00 0.00 H new ATOM 0 HA GLN A 100 17.721 -9.937 -8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 100 17.427 -12.285 -7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 100 16.150 -11.167 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.577 -12.218 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 100 15.827 -13.113 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.700 -13.088 -6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.187 -14.670 -6.014 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.688 -1.763 1.374 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.764 -4.585 3.011 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.645 -3.443 1.393 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.328 1.038 0.329 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.574 -0.443 1.140 1.00 0.00 C HETATM 1462 NA HEC A 101 22.883 -3.428 2.166 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.462 -4.464 2.745 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.681 -5.533 3.055 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.482 -5.179 2.632 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.682 -3.969 2.046 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.193 -6.018 2.771 1.00 0.00 C HETATM 1468 CAA HEC A 101 23.001 -6.909 3.693 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.254 -7.996 2.620 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.673 -9.376 3.134 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.537 -10.002 2.481 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.156 -9.851 4.168 1.00 0.00 O HETATM 1473 NB HEC A 101 21.921 -1.366 0.909 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.720 -2.121 0.778 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.668 -1.462 0.152 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.083 -0.158 -0.021 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.410 -0.114 0.455 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.347 -2.071 -0.320 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.272 0.965 -0.714 1.00 0.00 C HETATM 1480 CBB HEC A 101 17.941 1.279 -0.006 1.00 0.00 C HETATM 1481 NC HEC A 101 24.278 -0.021 1.061 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.646 0.991 0.558 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.437 2.025 0.186 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.684 1.577 0.352 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.512 0.335 0.873 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.093 3.407 -0.390 1.00 0.00 C HETATM 1487 CAC HEC A 101 26.987 2.274 -0.143 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.249 3.686 0.412 1.00 0.00 C HETATM 1489 ND HEC A 101 25.314 -2.484 1.789 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.543 -1.813 1.682 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.627 -2.475 2.279 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.116 -3.628 2.838 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.746 -3.603 2.550 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.068 -1.970 2.370 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.856 -4.677 3.684 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.473 -4.638 5.182 1.00 0.00 C HETATM 1497 CGD HEC A 101 27.837 -5.899 5.947 1.00 0.00 C HETATM 1498 O1D HEC A 101 28.558 -5.832 6.968 1.00 0.00 O HETATM 1499 O2D HEC A 101 27.368 -6.974 5.529 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.463 -1.815 1.366 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.089 -1.028 2.918 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.679 -2.707 2.891 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.558 3.286 -1.332 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.465 3.950 0.317 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.011 3.968 -0.564 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.548 -2.850 -1.056 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.821 -2.503 0.531 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.730 -1.295 -0.772 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.320 -6.969 2.254 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.991 -6.203 3.826 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.356 -5.475 2.332 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 27.966 -3.786 5.650 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.399 -4.471 5.267 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.428 4.345 0.131 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.324 3.642 1.499 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.181 4.072 -0.000 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.317 0.385 0.009 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.140 1.600 1.016 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.422 2.074 -0.542 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.344 -8.113 2.031 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 24.028 -7.634 1.943 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.642 -5.670 3.287 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.930 -4.520 3.587 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.879 -6.818 4.332 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.172 -7.215 4.332 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.557 -0.019 0.935 1.00 0.00 H new HETATM 0 HHC HEC A 101 21.901 1.995 0.028 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.719 -4.014 1.317 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.107 -5.442 3.590 1.00 0.00 H new HETATM 0 H2A HEC A 101 22.181 -9.761 4.117 1.00 0.00 H new