USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=14 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 Set 1.1: A 50 MET CE :methyl 165:sc= -0.0373 (180deg=-0.101) USER MOD Set 1.2: A 76 THR OG1 : rot 36:sc= 0.721 USER MOD Set 2.1: A 46 TYR OH : rot -110:sc= 0.145 USER MOD Set 2.2: A 101 HEC O2A : rot 98:sc= 0.155 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+ -179:sc= 0 (180deg=-0.00201) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= 0.693 (180deg=0.647) USER MOD Single : A 23 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 31 ASN : amide:sc= 0.0983 K(o=0.098,f=-4.5!) USER MOD Single : A 37 THR OG1 : rot -41:sc= 1.27 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -162:sc= 0.964 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0382) USER MOD Single : A 53 HIS : no HD1:sc= 0.0295 K(o=0.03,f=-0.63) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.745 K(o=0.75,f=-7.2!) USER MOD Single : A 67 THR OG1 : rot 90:sc= 1.21 USER MOD Single : A 68 ASN : amide:sc= 0.186 K(o=0.19,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.563) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.88 K(o=0.88,f=-4.9!) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 100 GLN : amide:sc= 0.696 K(o=0.7,f=0) USER MOD Single : A 101 HEC O2D : rot 70:sc= 0.0583 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.091 -3.333 -2.653 1.00 0.00 N ATOM 2 CA MET A 1 3.492 -2.911 -1.356 1.00 0.00 C ATOM 3 C MET A 1 2.250 -1.971 -1.456 1.00 0.00 C ATOM 4 O MET A 1 1.296 -2.153 -0.697 1.00 0.00 O ATOM 5 CB MET A 1 4.628 -2.379 -0.442 1.00 0.00 C ATOM 6 CG MET A 1 4.240 -2.181 1.037 1.00 0.00 C ATOM 7 SD MET A 1 5.669 -1.582 1.959 1.00 0.00 S ATOM 8 CE MET A 1 4.938 -1.471 3.600 1.00 0.00 C ATOM 0 H1 MET A 1 4.907 -3.953 -2.473 1.00 0.00 H new ATOM 0 H2 MET A 1 3.381 -3.848 -3.212 1.00 0.00 H new ATOM 0 H3 MET A 1 4.404 -2.493 -3.180 1.00 0.00 H new ATOM 0 HA MET A 1 3.042 -3.791 -0.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.468 -3.072 -0.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.977 -1.426 -0.840 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.418 -1.469 1.116 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.889 -3.122 1.461 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.686 -1.113 4.308 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.098 -0.777 3.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.587 -2.456 3.909 1.00 0.00 H new ATOM 19 N ALA A 2 2.275 -0.970 -2.348 1.00 0.00 N ATOM 20 CA ALA A 2 1.142 -0.028 -2.569 1.00 0.00 C ATOM 21 C ALA A 2 0.551 -0.134 -4.016 1.00 0.00 C ATOM 22 O ALA A 2 0.716 0.756 -4.856 1.00 0.00 O ATOM 23 CB ALA A 2 1.677 1.371 -2.195 1.00 0.00 C ATOM 0 H ALA A 2 3.080 -0.781 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 2 0.284 -0.271 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.890 2.111 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.994 1.373 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.526 1.618 -2.832 1.00 0.00 H new ATOM 29 N ASP A 3 -0.159 -1.240 -4.295 1.00 0.00 N ATOM 30 CA ASP A 3 -0.697 -1.562 -5.641 1.00 0.00 C ATOM 31 C ASP A 3 -2.260 -1.387 -5.679 1.00 0.00 C ATOM 32 O ASP A 3 -2.947 -2.280 -5.165 1.00 0.00 O ATOM 33 CB ASP A 3 -0.217 -3.007 -5.963 1.00 0.00 C ATOM 34 CG ASP A 3 -0.577 -3.524 -7.349 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.923 -3.683 -7.471 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.238 -3.764 -8.233 1.00 0.00 O ATOM 0 H ASP A 3 -0.381 -1.945 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.330 -0.880 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.867 -3.045 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.638 -3.685 -5.221 1.00 0.00 H new ATOM 41 N PRO A 4 -2.871 -0.369 -6.356 1.00 0.00 N ATOM 42 CA PRO A 4 -4.353 -0.208 -6.397 1.00 0.00 C ATOM 43 C PRO A 4 -5.212 -1.273 -7.158 1.00 0.00 C ATOM 44 O PRO A 4 -6.361 -1.493 -6.767 1.00 0.00 O ATOM 45 CB PRO A 4 -4.529 1.229 -6.920 1.00 0.00 C ATOM 46 CG PRO A 4 -3.217 1.655 -7.570 1.00 0.00 C ATOM 47 CD PRO A 4 -2.137 0.696 -7.065 1.00 0.00 C ATOM 0 HA PRO A 4 -4.764 -0.389 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.345 1.275 -7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.787 1.903 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.293 1.613 -8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.973 2.684 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.553 0.290 -7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.439 1.204 -6.400 1.00 0.00 H new ATOM 55 N ALA A 5 -4.677 -1.969 -8.180 1.00 0.00 N ATOM 56 CA ALA A 5 -5.328 -3.175 -8.774 1.00 0.00 C ATOM 57 C ALA A 5 -5.536 -4.380 -7.791 1.00 0.00 C ATOM 58 O ALA A 5 -6.667 -4.851 -7.636 1.00 0.00 O ATOM 59 CB ALA A 5 -4.521 -3.549 -10.032 1.00 0.00 C ATOM 0 H ALA A 5 -3.791 -1.722 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.356 -2.922 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.963 -4.429 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.538 -2.717 -10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.490 -3.767 -9.752 1.00 0.00 H new ATOM 65 N ALA A 6 -4.488 -4.816 -7.059 1.00 0.00 N ATOM 66 CA ALA A 6 -4.651 -5.650 -5.833 1.00 0.00 C ATOM 67 C ALA A 6 -5.537 -5.045 -4.686 1.00 0.00 C ATOM 68 O ALA A 6 -6.347 -5.764 -4.097 1.00 0.00 O ATOM 69 CB ALA A 6 -3.239 -6.018 -5.342 1.00 0.00 C ATOM 0 H ALA A 6 -3.517 -4.608 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.228 -6.530 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.314 -6.630 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.718 -6.577 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.684 -5.108 -5.115 1.00 0.00 H new ATOM 75 N GLY A 7 -5.446 -3.728 -4.416 1.00 0.00 N ATOM 76 CA GLY A 7 -6.443 -2.996 -3.588 1.00 0.00 C ATOM 77 C GLY A 7 -7.943 -3.088 -3.944 1.00 0.00 C ATOM 78 O GLY A 7 -8.759 -3.201 -3.032 1.00 0.00 O ATOM 0 H GLY A 7 -4.687 -3.139 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.330 -3.341 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.168 -1.941 -3.603 1.00 0.00 H new ATOM 82 N GLU A 8 -8.305 -3.080 -5.236 1.00 0.00 N ATOM 83 CA GLU A 8 -9.690 -3.385 -5.702 1.00 0.00 C ATOM 84 C GLU A 8 -10.258 -4.786 -5.300 1.00 0.00 C ATOM 85 O GLU A 8 -11.432 -4.860 -4.927 1.00 0.00 O ATOM 86 CB GLU A 8 -9.748 -3.159 -7.238 1.00 0.00 C ATOM 87 CG GLU A 8 -11.169 -3.000 -7.847 1.00 0.00 C ATOM 88 CD GLU A 8 -11.844 -4.269 -8.377 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.434 -5.014 -7.393 1.00 0.00 O ATOM 90 OE2 GLU A 8 -11.866 -4.563 -9.569 1.00 0.00 O ATOM 0 H GLU A 8 -7.657 -2.864 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.353 -2.699 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.169 -2.267 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.255 -3.999 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.817 -2.564 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.109 -2.281 -8.664 1.00 0.00 H new ATOM 97 N LYS A 9 -9.470 -5.875 -5.401 1.00 0.00 N ATOM 98 CA LYS A 9 -9.852 -7.201 -4.823 1.00 0.00 C ATOM 99 C LYS A 9 -9.878 -7.283 -3.254 1.00 0.00 C ATOM 100 O LYS A 9 -10.818 -7.868 -2.709 1.00 0.00 O ATOM 101 CB LYS A 9 -9.092 -8.368 -5.510 1.00 0.00 C ATOM 102 CG LYS A 9 -7.564 -8.431 -5.312 1.00 0.00 C ATOM 103 CD LYS A 9 -6.933 -9.715 -5.882 1.00 0.00 C ATOM 104 CE LYS A 9 -5.414 -9.765 -5.650 1.00 0.00 C ATOM 105 NZ LYS A 9 -4.863 -11.036 -6.156 1.00 0.00 N ATOM 0 H LYS A 9 -8.566 -5.874 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.907 -7.321 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.517 -9.305 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.292 -8.317 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.106 -7.565 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.339 -8.364 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.399 -10.584 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.138 -9.776 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.934 -8.926 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.198 -9.664 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.836 -11.058 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.310 -11.831 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.054 -11.116 -7.175 1.00 0.00 H new ATOM 118 N VAL A 10 -8.934 -6.650 -2.522 1.00 0.00 N ATOM 119 CA VAL A 10 -9.065 -6.418 -1.038 1.00 0.00 C ATOM 120 C VAL A 10 -10.332 -5.558 -0.648 1.00 0.00 C ATOM 121 O VAL A 10 -11.035 -5.907 0.304 1.00 0.00 O ATOM 122 CB VAL A 10 -7.729 -5.870 -0.411 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.758 -5.788 1.137 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.460 -6.694 -0.744 1.00 0.00 C ATOM 0 H VAL A 10 -8.069 -6.285 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.242 -7.395 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.671 -4.883 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.805 -5.402 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.562 -5.122 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.928 -6.782 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.593 -6.236 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.581 -7.713 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.312 -6.713 -1.824 1.00 0.00 H new ATOM 134 N PHE A 11 -10.669 -4.490 -1.405 1.00 0.00 N ATOM 135 CA PHE A 11 -11.985 -3.786 -1.314 1.00 0.00 C ATOM 136 C PHE A 11 -13.283 -4.646 -1.562 1.00 0.00 C ATOM 137 O PHE A 11 -14.356 -4.241 -1.109 1.00 0.00 O ATOM 138 CB PHE A 11 -11.901 -2.533 -2.238 1.00 0.00 C ATOM 139 CG PHE A 11 -12.923 -1.425 -1.929 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.217 -1.485 -2.459 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.574 -0.358 -1.094 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.166 -0.529 -2.108 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.514 0.618 -0.777 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.814 0.521 -1.266 1.00 0.00 C ATOM 0 H PHE A 11 -10.041 -4.085 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.128 -3.512 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.898 -2.112 -2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.036 -2.853 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.481 -2.277 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.573 -0.292 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.174 -0.602 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.235 1.452 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.550 1.262 -0.991 1.00 0.00 H new ATOM 154 N GLY A 12 -13.209 -5.848 -2.171 1.00 0.00 N ATOM 155 CA GLY A 12 -14.253 -6.904 -2.022 1.00 0.00 C ATOM 156 C GLY A 12 -14.837 -7.206 -0.611 1.00 0.00 C ATOM 157 O GLY A 12 -16.044 -7.413 -0.481 1.00 0.00 O ATOM 0 H GLY A 12 -12.434 -6.120 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.087 -6.634 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.836 -7.834 -2.409 1.00 0.00 H new ATOM 161 N LYS A 13 -13.998 -7.169 0.438 1.00 0.00 N ATOM 162 CA LYS A 13 -14.464 -7.132 1.859 1.00 0.00 C ATOM 163 C LYS A 13 -15.206 -5.831 2.336 1.00 0.00 C ATOM 164 O LYS A 13 -16.052 -5.912 3.228 1.00 0.00 O ATOM 165 CB LYS A 13 -13.240 -7.452 2.763 1.00 0.00 C ATOM 166 CG LYS A 13 -12.760 -8.926 2.716 1.00 0.00 C ATOM 167 CD LYS A 13 -11.400 -9.179 3.407 1.00 0.00 C ATOM 168 CE LYS A 13 -10.152 -8.748 2.608 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.926 -9.600 1.420 1.00 0.00 N ATOM 0 H LYS A 13 -12.983 -7.164 0.340 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.251 -7.882 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.412 -6.806 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.492 -7.200 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.515 -9.556 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.688 -9.238 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.396 -8.654 4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.318 -10.243 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.265 -7.711 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.276 -8.791 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.068 -9.284 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.808 -10.589 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.742 -9.527 0.780 1.00 0.00 H new ATOM 182 N CYS A 14 -14.901 -4.658 1.762 1.00 0.00 N ATOM 183 CA CYS A 14 -15.612 -3.380 2.057 1.00 0.00 C ATOM 184 C CYS A 14 -16.942 -3.139 1.264 1.00 0.00 C ATOM 185 O CYS A 14 -17.905 -2.630 1.845 1.00 0.00 O ATOM 186 CB CYS A 14 -14.635 -2.197 1.840 1.00 0.00 C ATOM 187 SG CYS A 14 -12.907 -2.554 2.265 1.00 0.00 S ATOM 0 H CYS A 14 -14.153 -4.556 1.076 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.930 -3.455 3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.682 -1.891 0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.974 -1.349 2.436 1.00 0.00 H new ATOM 192 N LYS A 15 -16.992 -3.469 -0.047 1.00 0.00 N ATOM 193 CA LYS A 15 -18.119 -3.109 -0.963 1.00 0.00 C ATOM 194 C LYS A 15 -19.583 -3.531 -0.597 1.00 0.00 C ATOM 195 O LYS A 15 -20.526 -2.816 -0.949 1.00 0.00 O ATOM 196 CB LYS A 15 -17.729 -3.497 -2.416 1.00 0.00 C ATOM 197 CG LYS A 15 -17.754 -5.002 -2.776 1.00 0.00 C ATOM 198 CD LYS A 15 -17.277 -5.273 -4.218 1.00 0.00 C ATOM 199 CE LYS A 15 -17.384 -6.745 -4.659 1.00 0.00 C ATOM 200 NZ LYS A 15 -18.779 -7.120 -4.971 1.00 0.00 N ATOM 0 H LYS A 15 -16.251 -3.996 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.218 -2.031 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.401 -2.975 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.725 -3.120 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.120 -5.550 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.767 -5.385 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.862 -4.658 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.239 -4.954 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.758 -6.909 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.001 -7.391 -3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.813 -8.117 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.371 -6.987 -4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.136 -6.520 -5.742 1.00 0.00 H new ATOM 213 N ALA A 16 -19.777 -4.653 0.122 1.00 0.00 N ATOM 214 CA ALA A 16 -21.085 -5.003 0.742 1.00 0.00 C ATOM 215 C ALA A 16 -21.681 -3.962 1.753 1.00 0.00 C ATOM 216 O ALA A 16 -22.887 -3.701 1.704 1.00 0.00 O ATOM 217 CB ALA A 16 -20.907 -6.395 1.377 1.00 0.00 C ATOM 0 H ALA A 16 -19.044 -5.341 0.293 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.839 -4.997 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.841 -6.702 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.636 -7.115 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.118 -6.354 2.128 1.00 0.00 H new ATOM 223 N CYS A 17 -20.854 -3.355 2.628 1.00 0.00 N ATOM 224 CA CYS A 17 -21.281 -2.224 3.491 1.00 0.00 C ATOM 225 C CYS A 17 -21.070 -0.787 2.891 1.00 0.00 C ATOM 226 O CYS A 17 -21.936 0.074 3.073 1.00 0.00 O ATOM 227 CB CYS A 17 -20.545 -2.359 4.840 1.00 0.00 C ATOM 228 SG CYS A 17 -20.721 -4.001 5.607 1.00 0.00 S ATOM 0 H CYS A 17 -19.880 -3.628 2.759 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.363 -2.303 3.597 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.486 -2.150 4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.924 -1.604 5.528 1.00 0.00 H new ATOM 233 N HIS A 18 -19.915 -0.514 2.250 1.00 0.00 N ATOM 234 CA HIS A 18 -19.487 0.848 1.834 1.00 0.00 C ATOM 235 C HIS A 18 -19.489 0.994 0.282 1.00 0.00 C ATOM 236 O HIS A 18 -18.873 0.211 -0.446 1.00 0.00 O ATOM 237 CB HIS A 18 -18.046 1.099 2.338 1.00 0.00 C ATOM 238 CG HIS A 18 -17.896 1.388 3.825 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.797 2.659 4.332 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.541 0.458 4.806 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.300 2.403 5.569 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.199 1.089 6.013 1.00 0.00 N ATOM 0 H HIS A 18 -19.241 -1.238 2.001 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.187 1.567 2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.441 0.225 2.096 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.630 1.939 1.782 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.032 3.552 3.898 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.531 -0.611 4.655 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.984 3.216 6.206 1.00 0.00 H new ATOM 250 N LYS A 19 -20.127 2.058 -0.211 1.00 0.00 N ATOM 251 CA LYS A 19 -20.354 2.254 -1.673 1.00 0.00 C ATOM 252 C LYS A 19 -19.372 3.309 -2.275 1.00 0.00 C ATOM 253 O LYS A 19 -19.197 4.400 -1.729 1.00 0.00 O ATOM 254 CB LYS A 19 -21.846 2.627 -1.937 1.00 0.00 C ATOM 255 CG LYS A 19 -22.953 1.771 -1.256 1.00 0.00 C ATOM 256 CD LYS A 19 -22.921 0.269 -1.602 1.00 0.00 C ATOM 257 CE LYS A 19 -23.624 -0.599 -0.545 1.00 0.00 C ATOM 258 NZ LYS A 19 -23.416 -2.028 -0.848 1.00 0.00 N ATOM 0 H LYS A 19 -20.502 2.807 0.370 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.144 1.314 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.989 3.662 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.012 2.590 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.863 1.881 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.926 2.173 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.398 0.113 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.885 -0.055 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.233 -0.368 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.690 -0.374 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.697 -2.601 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.992 -2.296 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.412 -2.195 -1.060 1.00 0.00 H new ATOM 271 N LEU A 20 -18.762 3.003 -3.431 1.00 0.00 N ATOM 272 CA LEU A 20 -17.933 3.993 -4.198 1.00 0.00 C ATOM 273 C LEU A 20 -18.717 5.003 -5.106 1.00 0.00 C ATOM 274 O LEU A 20 -18.139 6.020 -5.494 1.00 0.00 O ATOM 275 CB LEU A 20 -16.872 3.220 -5.032 1.00 0.00 C ATOM 276 CG LEU A 20 -15.785 2.455 -4.233 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.010 1.511 -5.163 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.799 3.399 -3.519 1.00 0.00 C ATOM 0 H LEU A 20 -18.817 2.083 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.472 4.631 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.393 2.505 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.374 3.930 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.304 1.881 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.250 0.980 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.698 0.792 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.531 2.090 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.060 2.810 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.294 4.023 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.344 4.033 -2.819 1.00 0.00 H new ATOM 290 N ASP A 21 -20.005 4.776 -5.433 1.00 0.00 N ATOM 291 CA ASP A 21 -20.841 5.770 -6.176 1.00 0.00 C ATOM 292 C ASP A 21 -21.684 6.693 -5.222 1.00 0.00 C ATOM 293 O ASP A 21 -22.901 6.827 -5.380 1.00 0.00 O ATOM 294 CB ASP A 21 -21.704 4.998 -7.216 1.00 0.00 C ATOM 295 CG ASP A 21 -20.932 4.368 -8.376 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.582 4.984 -9.377 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.676 3.046 -8.174 1.00 0.00 O ATOM 0 H ASP A 21 -20.499 3.915 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.193 6.468 -6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.250 4.211 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.446 5.683 -7.626 1.00 0.00 H new ATOM 302 N GLY A 22 -21.039 7.348 -4.236 1.00 0.00 N ATOM 303 CA GLY A 22 -21.698 8.324 -3.316 1.00 0.00 C ATOM 304 C GLY A 22 -22.932 7.918 -2.463 1.00 0.00 C ATOM 305 O GLY A 22 -23.749 8.785 -2.151 1.00 0.00 O ATOM 0 H GLY A 22 -20.045 7.222 -4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.933 8.675 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.997 9.180 -3.921 1.00 0.00 H new ATOM 309 N ASN A 23 -23.064 6.638 -2.075 1.00 0.00 N ATOM 310 CA ASN A 23 -24.245 6.126 -1.321 1.00 0.00 C ATOM 311 C ASN A 23 -23.838 5.686 0.121 1.00 0.00 C ATOM 312 O ASN A 23 -23.169 4.665 0.310 1.00 0.00 O ATOM 313 CB ASN A 23 -24.892 4.953 -2.116 1.00 0.00 C ATOM 314 CG ASN A 23 -25.869 5.353 -3.225 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.080 5.364 -3.036 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.417 5.679 -4.410 1.00 0.00 N ATOM 0 H ASN A 23 -22.363 5.923 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.980 6.924 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.094 4.357 -2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.417 4.309 -1.411 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.069 5.935 -5.152 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.413 5.677 -4.591 1.00 0.00 H new ATOM 323 N ASP A 24 -24.272 6.433 1.150 1.00 0.00 N ATOM 324 CA ASP A 24 -24.135 5.999 2.570 1.00 0.00 C ATOM 325 C ASP A 24 -25.313 5.089 3.019 1.00 0.00 C ATOM 326 O ASP A 24 -26.470 5.522 3.011 1.00 0.00 O ATOM 327 CB ASP A 24 -23.934 7.208 3.514 1.00 0.00 C ATOM 328 CG ASP A 24 -24.902 8.402 3.510 1.00 0.00 C ATOM 329 OD1 ASP A 24 -26.216 8.035 3.405 1.00 0.00 O ATOM 330 OD2 ASP A 24 -24.518 9.562 3.615 1.00 0.00 O ATOM 0 H ASP A 24 -24.722 7.341 1.036 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.234 5.389 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.919 6.816 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.940 7.606 3.311 1.00 0.00 H new ATOM 335 N GLY A 25 -24.993 3.855 3.421 1.00 0.00 N ATOM 336 CA GLY A 25 -26.021 2.817 3.718 1.00 0.00 C ATOM 337 C GLY A 25 -25.779 2.082 5.042 1.00 0.00 C ATOM 338 O GLY A 25 -26.164 2.570 6.105 1.00 0.00 O ATOM 0 H GLY A 25 -24.033 3.537 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.004 3.287 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.039 2.091 2.906 1.00 0.00 H new ATOM 342 N VAL A 26 -25.125 0.916 4.970 1.00 0.00 N ATOM 343 CA VAL A 26 -24.585 0.217 6.186 1.00 0.00 C ATOM 344 C VAL A 26 -23.290 0.933 6.705 1.00 0.00 C ATOM 345 O VAL A 26 -23.255 1.315 7.875 1.00 0.00 O ATOM 346 CB VAL A 26 -24.400 -1.325 5.963 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.901 -2.079 7.219 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.672 -2.062 5.478 1.00 0.00 C ATOM 0 H VAL A 26 -24.948 0.423 4.095 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.331 0.295 6.977 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.644 -1.349 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.797 -3.139 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.935 -1.677 7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.619 -1.952 8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.452 -3.122 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.465 -1.942 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.995 -1.641 4.526 1.00 0.00 H new ATOM 358 N GLY A 27 -22.262 1.136 5.857 1.00 0.00 N ATOM 359 CA GLY A 27 -21.183 2.116 6.128 1.00 0.00 C ATOM 360 C GLY A 27 -21.259 3.431 5.287 1.00 0.00 C ATOM 361 O GLY A 27 -21.912 3.451 4.234 1.00 0.00 O ATOM 0 H GLY A 27 -22.153 0.634 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.207 2.377 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.222 1.637 5.940 1.00 0.00 H new ATOM 365 N PRO A 28 -20.575 4.547 5.675 1.00 0.00 N ATOM 366 CA PRO A 28 -20.519 5.790 4.857 1.00 0.00 C ATOM 367 C PRO A 28 -19.571 5.685 3.619 1.00 0.00 C ATOM 368 O PRO A 28 -18.394 5.335 3.749 1.00 0.00 O ATOM 369 CB PRO A 28 -20.040 6.823 5.894 1.00 0.00 C ATOM 370 CG PRO A 28 -19.175 6.021 6.864 1.00 0.00 C ATOM 371 CD PRO A 28 -19.885 4.677 6.972 1.00 0.00 C ATOM 0 HA PRO A 28 -21.472 6.040 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.469 7.623 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.881 7.290 6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.158 5.905 6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.103 6.513 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.179 3.862 7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.589 4.660 7.804 1.00 0.00 H new ATOM 379 N HIS A 29 -20.090 6.015 2.427 1.00 0.00 N ATOM 380 CA HIS A 29 -19.371 5.921 1.120 1.00 0.00 C ATOM 381 C HIS A 29 -17.842 6.260 1.075 1.00 0.00 C ATOM 382 O HIS A 29 -17.441 7.338 1.516 1.00 0.00 O ATOM 383 CB HIS A 29 -20.176 6.771 0.096 1.00 0.00 C ATOM 384 CG HIS A 29 -20.348 8.275 0.348 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.470 8.817 0.958 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.461 9.287 -0.056 1.00 0.00 C ATOM 387 CE1 HIS A 29 -21.154 10.147 0.853 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.970 10.528 0.278 1.00 0.00 N ATOM 0 H HIS A 29 -21.043 6.364 2.328 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.342 4.858 0.879 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.698 6.653 -0.877 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.172 6.335 0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.518 9.120 -0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.839 10.895 1.224 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.577 11.459 0.137 1.00 0.00 H new ATOM 396 N LEU A 30 -16.985 5.351 0.575 1.00 0.00 N ATOM 397 CA LEU A 30 -15.494 5.547 0.608 1.00 0.00 C ATOM 398 C LEU A 30 -14.839 6.347 -0.577 1.00 0.00 C ATOM 399 O LEU A 30 -13.625 6.565 -0.563 1.00 0.00 O ATOM 400 CB LEU A 30 -14.804 4.174 0.872 1.00 0.00 C ATOM 401 CG LEU A 30 -15.063 3.528 2.262 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.580 2.072 2.309 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.428 4.288 3.438 1.00 0.00 C ATOM 0 H LEU A 30 -17.280 4.475 0.143 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.313 6.233 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.131 3.474 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.729 4.303 0.750 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.145 3.575 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.778 1.655 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.109 1.489 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.509 2.037 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.656 3.772 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.347 4.331 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.830 5.301 3.476 1.00 0.00 H new ATOM 415 N ASN A 31 -15.626 6.872 -1.535 1.00 0.00 N ATOM 416 CA ASN A 31 -15.190 7.932 -2.487 1.00 0.00 C ATOM 417 C ASN A 31 -14.963 9.301 -1.762 1.00 0.00 C ATOM 418 O ASN A 31 -15.887 9.868 -1.166 1.00 0.00 O ATOM 419 CB ASN A 31 -16.194 8.033 -3.672 1.00 0.00 C ATOM 420 CG ASN A 31 -17.675 8.294 -3.340 1.00 0.00 C ATOM 421 OD1 ASN A 31 -18.353 7.459 -2.751 1.00 0.00 O ATOM 422 ND2 ASN A 31 -18.245 9.421 -3.691 1.00 0.00 N ATOM 0 H ASN A 31 -16.591 6.576 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.222 7.654 -2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.853 8.831 -4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.137 7.104 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.228 9.585 -3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.706 10.134 -4.182 1.00 0.00 H new ATOM 429 N GLY A 32 -13.712 9.779 -1.744 1.00 0.00 N ATOM 430 CA GLY A 32 -13.309 10.947 -0.910 1.00 0.00 C ATOM 431 C GLY A 32 -13.061 10.688 0.596 1.00 0.00 C ATOM 432 O GLY A 32 -13.448 11.520 1.420 1.00 0.00 O ATOM 0 H GLY A 32 -12.951 9.382 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.398 11.367 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.083 11.709 -0.999 1.00 0.00 H new ATOM 436 N VAL A 33 -12.448 9.547 0.961 1.00 0.00 N ATOM 437 CA VAL A 33 -12.079 9.228 2.381 1.00 0.00 C ATOM 438 C VAL A 33 -10.646 9.681 2.841 1.00 0.00 C ATOM 439 O VAL A 33 -10.479 9.999 4.022 1.00 0.00 O ATOM 440 CB VAL A 33 -12.408 7.729 2.696 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.455 6.704 2.043 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.485 7.445 4.214 1.00 0.00 C ATOM 0 H VAL A 33 -12.190 8.816 0.298 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.710 9.859 3.007 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.390 7.591 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.762 5.695 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.492 6.812 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.437 6.881 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.716 6.392 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.527 7.682 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.266 8.060 4.660 1.00 0.00 H new ATOM 452 N VAL A 34 -9.613 9.703 1.973 1.00 0.00 N ATOM 453 CA VAL A 34 -8.214 10.058 2.377 1.00 0.00 C ATOM 454 C VAL A 34 -8.113 11.602 2.641 1.00 0.00 C ATOM 455 O VAL A 34 -8.352 12.417 1.745 1.00 0.00 O ATOM 456 CB VAL A 34 -7.149 9.533 1.352 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.694 9.804 1.806 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.241 8.015 1.066 1.00 0.00 C ATOM 0 H VAL A 34 -9.710 9.480 0.982 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.979 9.548 3.311 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.388 10.092 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.002 9.419 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.543 10.877 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.512 9.307 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.471 7.733 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.094 7.461 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.223 7.781 0.655 1.00 0.00 H new ATOM 468 N GLY A 35 -7.820 11.988 3.894 1.00 0.00 N ATOM 469 CA GLY A 35 -8.027 13.391 4.365 1.00 0.00 C ATOM 470 C GLY A 35 -9.414 13.795 4.937 1.00 0.00 C ATOM 471 O GLY A 35 -9.558 14.936 5.379 1.00 0.00 O ATOM 0 H GLY A 35 -7.441 11.362 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.282 13.593 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.810 14.055 3.528 1.00 0.00 H new ATOM 475 N ARG A 36 -10.418 12.901 4.962 1.00 0.00 N ATOM 476 CA ARG A 36 -11.773 13.192 5.502 1.00 0.00 C ATOM 477 C ARG A 36 -11.784 13.226 7.059 1.00 0.00 C ATOM 478 O ARG A 36 -11.218 12.348 7.713 1.00 0.00 O ATOM 479 CB ARG A 36 -12.718 12.092 4.954 1.00 0.00 C ATOM 480 CG ARG A 36 -14.223 12.291 5.268 1.00 0.00 C ATOM 481 CD ARG A 36 -15.085 11.046 5.027 1.00 0.00 C ATOM 482 NE ARG A 36 -15.282 10.785 3.579 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.963 9.766 3.068 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.516 8.817 3.780 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.084 9.694 1.783 1.00 0.00 N ATOM 0 H ARG A 36 -10.320 11.949 4.608 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.103 14.181 5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.594 12.036 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.403 11.131 5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.328 12.596 6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.605 13.108 4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.612 10.181 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.054 11.176 5.508 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.860 11.442 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.438 8.831 4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.025 8.064 3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.662 10.409 1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.602 8.922 1.362 1.00 0.00 H new ATOM 499 N THR A 37 -12.509 14.184 7.653 1.00 0.00 N ATOM 500 CA THR A 37 -12.749 14.231 9.126 1.00 0.00 C ATOM 501 C THR A 37 -13.421 12.932 9.696 1.00 0.00 C ATOM 502 O THR A 37 -14.258 12.298 9.043 1.00 0.00 O ATOM 503 CB THR A 37 -13.525 15.551 9.426 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.770 16.679 8.978 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.833 15.820 10.907 1.00 0.00 C ATOM 0 H THR A 37 -12.949 14.949 7.142 1.00 0.00 H new ATOM 0 HA THR A 37 -11.800 14.247 9.661 1.00 0.00 H new ATOM 0 HB THR A 37 -14.471 15.415 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.823 16.544 9.191 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.374 16.762 11.001 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.444 15.009 11.305 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.900 15.880 11.468 1.00 0.00 H new ATOM 513 N VAL A 38 -13.030 12.530 10.920 1.00 0.00 N ATOM 514 CA VAL A 38 -13.631 11.351 11.616 1.00 0.00 C ATOM 515 C VAL A 38 -15.101 11.700 12.051 1.00 0.00 C ATOM 516 O VAL A 38 -15.342 12.718 12.707 1.00 0.00 O ATOM 517 CB VAL A 38 -12.730 10.849 12.797 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.287 9.558 13.437 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.263 10.533 12.415 1.00 0.00 C ATOM 0 H VAL A 38 -12.300 12.998 11.457 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.682 10.508 10.927 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.744 11.694 13.485 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.633 9.244 14.251 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.287 9.748 13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.334 8.770 12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.722 10.194 13.298 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.245 9.751 11.656 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.788 11.432 12.021 1.00 0.00 H new ATOM 529 N ALA A 39 -16.077 10.889 11.597 1.00 0.00 N ATOM 530 CA ALA A 39 -17.513 11.297 11.498 1.00 0.00 C ATOM 531 C ALA A 39 -17.889 12.400 10.437 1.00 0.00 C ATOM 532 O ALA A 39 -18.866 13.137 10.606 1.00 0.00 O ATOM 533 CB ALA A 39 -18.151 11.500 12.889 1.00 0.00 C ATOM 0 H ALA A 39 -15.904 9.933 11.287 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.991 10.430 11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.194 11.796 12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.099 10.568 13.453 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.611 12.280 13.427 1.00 0.00 H new ATOM 539 N GLY A 40 -17.180 12.462 9.295 1.00 0.00 N ATOM 540 CA GLY A 40 -17.354 13.533 8.277 1.00 0.00 C ATOM 541 C GLY A 40 -18.170 13.153 7.025 1.00 0.00 C ATOM 542 O GLY A 40 -17.708 13.354 5.901 1.00 0.00 O ATOM 0 H GLY A 40 -16.469 11.775 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.836 14.386 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.367 13.864 7.955 1.00 0.00 H new ATOM 546 N VAL A 41 -19.392 12.643 7.230 1.00 0.00 N ATOM 547 CA VAL A 41 -20.429 12.543 6.152 1.00 0.00 C ATOM 548 C VAL A 41 -21.782 13.044 6.755 1.00 0.00 C ATOM 549 O VAL A 41 -22.439 12.324 7.517 1.00 0.00 O ATOM 550 CB VAL A 41 -20.545 11.114 5.502 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.664 11.007 4.436 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.246 10.651 4.805 1.00 0.00 C ATOM 0 H VAL A 41 -19.704 12.287 8.133 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.130 13.173 5.315 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.771 10.479 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.685 9.995 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.626 11.235 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.469 11.716 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.395 9.659 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.989 11.352 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.436 10.615 5.533 1.00 0.00 H new ATOM 562 N ASP A 42 -22.233 14.249 6.359 1.00 0.00 N ATOM 563 CA ASP A 42 -23.572 14.782 6.750 1.00 0.00 C ATOM 564 C ASP A 42 -24.704 14.048 5.955 1.00 0.00 C ATOM 565 O ASP A 42 -24.891 14.267 4.755 1.00 0.00 O ATOM 566 CB ASP A 42 -23.614 16.319 6.527 1.00 0.00 C ATOM 567 CG ASP A 42 -22.674 17.140 7.414 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.253 17.494 8.600 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.528 17.432 7.085 1.00 0.00 O ATOM 0 H ASP A 42 -21.695 14.881 5.766 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.742 14.592 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.372 16.524 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.635 16.665 6.692 1.00 0.00 H new ATOM 574 N GLY A 43 -25.395 13.118 6.630 1.00 0.00 N ATOM 575 CA GLY A 43 -26.145 12.033 5.941 1.00 0.00 C ATOM 576 C GLY A 43 -26.141 10.679 6.683 1.00 0.00 C ATOM 577 O GLY A 43 -27.202 10.074 6.847 1.00 0.00 O ATOM 0 H GLY A 43 -25.456 13.087 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.178 12.354 5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.720 11.889 4.948 1.00 0.00 H new ATOM 581 N PHE A 44 -24.963 10.191 7.115 1.00 0.00 N ATOM 582 CA PHE A 44 -24.850 8.911 7.865 1.00 0.00 C ATOM 583 C PHE A 44 -25.038 9.094 9.412 1.00 0.00 C ATOM 584 O PHE A 44 -24.479 10.009 10.028 1.00 0.00 O ATOM 585 CB PHE A 44 -23.482 8.272 7.486 1.00 0.00 C ATOM 586 CG PHE A 44 -23.290 6.841 8.020 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.906 5.755 7.390 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.599 6.635 9.219 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.847 4.489 7.963 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.551 5.370 9.797 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.176 4.298 9.167 1.00 0.00 C ATOM 0 H PHE A 44 -24.070 10.660 6.961 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.660 8.239 7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.387 8.259 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.680 8.902 7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.429 5.900 6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.099 7.463 9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.323 3.653 7.473 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.030 5.221 10.731 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.140 3.315 9.614 1.00 0.00 H new ATOM 601 N ASN A 45 -25.772 8.159 10.046 1.00 0.00 N ATOM 602 CA ASN A 45 -25.924 8.110 11.526 1.00 0.00 C ATOM 603 C ASN A 45 -24.694 7.421 12.214 1.00 0.00 C ATOM 604 O ASN A 45 -24.657 6.200 12.396 1.00 0.00 O ATOM 605 CB ASN A 45 -27.278 7.402 11.810 1.00 0.00 C ATOM 606 CG ASN A 45 -27.757 7.473 13.255 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.411 8.417 13.680 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.460 6.488 14.055 1.00 0.00 N ATOM 0 H ASN A 45 -26.275 7.419 9.557 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.941 9.110 11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.042 7.843 11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.188 6.354 11.525 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.772 6.508 15.026 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.916 5.697 13.710 1.00 0.00 H new ATOM 615 N TYR A 46 -23.699 8.229 12.614 1.00 0.00 N ATOM 616 CA TYR A 46 -22.455 7.733 13.261 1.00 0.00 C ATOM 617 C TYR A 46 -22.626 7.337 14.768 1.00 0.00 C ATOM 618 O TYR A 46 -23.417 7.934 15.506 1.00 0.00 O ATOM 619 CB TYR A 46 -21.357 8.830 13.100 1.00 0.00 C ATOM 620 CG TYR A 46 -20.755 8.979 11.692 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.735 8.117 11.280 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.198 9.977 10.818 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.170 8.243 10.016 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.627 10.107 9.553 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.609 9.243 9.155 1.00 0.00 C ATOM 626 OH TYR A 46 -18.980 9.422 7.952 1.00 0.00 O ATOM 0 H TYR A 46 -23.726 9.243 12.502 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.169 6.807 12.761 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.783 9.789 13.395 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.549 8.612 13.798 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.383 7.346 11.949 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.986 10.650 11.124 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.390 7.564 9.703 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.974 10.878 8.881 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.478 10.263 7.967 1.00 0.00 H new ATOM 636 N SER A 47 -21.813 6.372 15.250 1.00 0.00 N ATOM 637 CA SER A 47 -21.673 6.098 16.711 1.00 0.00 C ATOM 638 C SER A 47 -21.042 7.288 17.507 1.00 0.00 C ATOM 639 O SER A 47 -20.219 8.054 16.993 1.00 0.00 O ATOM 640 CB SER A 47 -20.860 4.795 16.908 1.00 0.00 C ATOM 641 OG SER A 47 -20.897 4.366 18.273 1.00 0.00 O ATOM 0 H SER A 47 -21.243 5.768 14.658 1.00 0.00 H new ATOM 0 HA SER A 47 -22.675 5.975 17.122 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.262 4.011 16.266 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.826 4.958 16.603 1.00 0.00 H new ATOM 0 HG SER A 47 -20.171 3.728 18.435 1.00 0.00 H new ATOM 647 N ASP A 48 -21.434 7.427 18.784 1.00 0.00 N ATOM 648 CA ASP A 48 -20.917 8.520 19.668 1.00 0.00 C ATOM 649 C ASP A 48 -19.357 8.567 19.883 1.00 0.00 C ATOM 650 O ASP A 48 -18.820 9.666 19.718 1.00 0.00 O ATOM 651 CB ASP A 48 -21.733 8.569 20.989 1.00 0.00 C ATOM 652 CG ASP A 48 -23.135 9.187 20.910 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.822 8.798 19.795 1.00 0.00 O ATOM 654 OD2 ASP A 48 -23.575 9.955 21.758 1.00 0.00 O ATOM 0 H ASP A 48 -22.104 6.806 19.239 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.083 9.446 19.118 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.831 7.551 21.367 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.156 9.128 21.725 1.00 0.00 H new ATOM 659 N PRO A 49 -18.578 7.479 20.159 1.00 0.00 N ATOM 660 CA PRO A 49 -17.086 7.507 20.090 1.00 0.00 C ATOM 661 C PRO A 49 -16.398 7.844 18.730 1.00 0.00 C ATOM 662 O PRO A 49 -15.292 8.383 18.738 1.00 0.00 O ATOM 663 CB PRO A 49 -16.695 6.107 20.604 1.00 0.00 C ATOM 664 CG PRO A 49 -17.935 5.570 21.321 1.00 0.00 C ATOM 665 CD PRO A 49 -19.103 6.162 20.548 1.00 0.00 C ATOM 0 HA PRO A 49 -16.724 8.353 20.675 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.405 5.454 19.781 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.843 6.162 21.282 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -17.961 4.480 21.308 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.954 5.877 22.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.367 5.556 19.681 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -19.999 6.246 21.163 1.00 0.00 H new ATOM 673 N MET A 50 -17.039 7.557 17.580 1.00 0.00 N ATOM 674 CA MET A 50 -16.643 8.143 16.265 1.00 0.00 C ATOM 675 C MET A 50 -16.893 9.688 16.150 1.00 0.00 C ATOM 676 O MET A 50 -16.005 10.414 15.696 1.00 0.00 O ATOM 677 CB MET A 50 -17.352 7.322 15.152 1.00 0.00 C ATOM 678 CG MET A 50 -16.800 7.541 13.730 1.00 0.00 C ATOM 679 SD MET A 50 -15.128 6.886 13.582 1.00 0.00 S ATOM 680 CE MET A 50 -15.475 5.231 12.970 1.00 0.00 C ATOM 0 H MET A 50 -17.836 6.923 17.526 1.00 0.00 H new ATOM 0 HA MET A 50 -15.562 8.065 16.153 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.274 6.263 15.397 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.413 7.573 15.156 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.451 7.054 13.004 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.800 8.605 13.495 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.560 4.789 12.576 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.854 4.614 13.785 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.222 5.285 12.178 1.00 0.00 H new ATOM 690 N LYS A 51 -18.064 10.192 16.588 1.00 0.00 N ATOM 691 CA LYS A 51 -18.343 11.658 16.688 1.00 0.00 C ATOM 692 C LYS A 51 -17.432 12.433 17.701 1.00 0.00 C ATOM 693 O LYS A 51 -16.879 13.474 17.341 1.00 0.00 O ATOM 694 CB LYS A 51 -19.856 11.889 16.970 1.00 0.00 C ATOM 695 CG LYS A 51 -20.821 11.420 15.853 1.00 0.00 C ATOM 696 CD LYS A 51 -22.306 11.806 16.031 1.00 0.00 C ATOM 697 CE LYS A 51 -23.076 11.079 17.151 1.00 0.00 C ATOM 698 NZ LYS A 51 -22.978 11.796 18.439 1.00 0.00 N ATOM 0 H LYS A 51 -18.846 9.607 16.883 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.083 12.087 15.720 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.119 11.373 17.893 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.017 12.953 17.143 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.472 11.828 14.904 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.756 10.335 15.777 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.359 12.878 16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.821 11.623 15.088 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.124 10.982 16.868 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.682 10.069 17.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.698 11.432 19.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.033 11.649 18.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.134 12.812 18.283 1.00 0.00 H new ATOM 711 N ALA A 52 -17.233 11.917 18.928 1.00 0.00 N ATOM 712 CA ALA A 52 -16.238 12.464 19.890 1.00 0.00 C ATOM 713 C ALA A 52 -14.747 11.975 19.746 1.00 0.00 C ATOM 714 O ALA A 52 -13.992 12.045 20.721 1.00 0.00 O ATOM 715 CB ALA A 52 -16.843 12.144 21.274 1.00 0.00 C ATOM 0 H ALA A 52 -17.750 11.114 19.286 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.101 13.528 19.699 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.178 12.511 22.056 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.815 12.629 21.367 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.965 11.066 21.377 1.00 0.00 H new ATOM 721 N HIS A 53 -14.285 11.547 18.551 1.00 0.00 N ATOM 722 CA HIS A 53 -12.873 11.115 18.333 1.00 0.00 C ATOM 723 C HIS A 53 -11.861 12.302 18.173 1.00 0.00 C ATOM 724 O HIS A 53 -10.913 12.396 18.956 1.00 0.00 O ATOM 725 CB HIS A 53 -12.855 10.109 17.146 1.00 0.00 C ATOM 726 CG HIS A 53 -11.586 9.265 17.040 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.576 9.499 16.117 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.302 8.124 17.811 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.750 8.447 16.423 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.099 7.567 17.416 1.00 0.00 N ATOM 0 H HIS A 53 -14.866 11.489 17.715 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.512 10.615 19.232 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.711 9.441 17.241 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.984 10.663 16.216 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.932 7.738 18.598 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.825 8.312 15.882 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.612 6.741 17.763 1.00 0.00 H new ATOM 738 N GLY A 54 -12.042 13.179 17.164 1.00 0.00 N ATOM 739 CA GLY A 54 -11.101 14.297 16.891 1.00 0.00 C ATOM 740 C GLY A 54 -9.909 13.924 15.990 1.00 0.00 C ATOM 741 O GLY A 54 -8.844 13.540 16.476 1.00 0.00 O ATOM 0 H GLY A 54 -12.832 13.138 16.520 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.652 15.113 16.423 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.719 14.673 17.840 1.00 0.00 H new ATOM 745 N GLY A 55 -10.096 14.070 14.677 1.00 0.00 N ATOM 746 CA GLY A 55 -9.040 13.750 13.687 1.00 0.00 C ATOM 747 C GLY A 55 -9.482 13.791 12.207 1.00 0.00 C ATOM 748 O GLY A 55 -10.637 14.072 11.869 1.00 0.00 O ATOM 0 H GLY A 55 -10.966 14.407 14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.216 14.451 13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.652 12.755 13.905 1.00 0.00 H new ATOM 752 N ASP A 56 -8.529 13.467 11.321 1.00 0.00 N ATOM 753 CA ASP A 56 -8.791 13.290 9.860 1.00 0.00 C ATOM 754 C ASP A 56 -8.128 11.972 9.342 1.00 0.00 C ATOM 755 O ASP A 56 -7.092 11.518 9.846 1.00 0.00 O ATOM 756 CB ASP A 56 -8.303 14.517 9.041 1.00 0.00 C ATOM 757 CG ASP A 56 -9.000 15.850 9.342 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.155 16.120 9.019 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.190 16.709 10.021 1.00 0.00 O ATOM 0 H ASP A 56 -7.554 13.318 11.582 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.869 13.213 9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.234 14.642 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.430 14.295 7.981 1.00 0.00 H new ATOM 764 N TRP A 57 -8.722 11.358 8.304 1.00 0.00 N ATOM 765 CA TRP A 57 -8.338 9.997 7.836 1.00 0.00 C ATOM 766 C TRP A 57 -7.102 9.993 6.882 1.00 0.00 C ATOM 767 O TRP A 57 -7.195 9.825 5.663 1.00 0.00 O ATOM 768 CB TRP A 57 -9.592 9.295 7.239 1.00 0.00 C ATOM 769 CG TRP A 57 -10.605 8.742 8.256 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.948 9.157 8.395 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.412 7.785 9.245 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.601 8.464 9.429 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.630 7.635 9.951 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.249 7.088 9.672 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.693 6.817 11.101 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.332 6.297 10.817 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.532 6.173 11.527 1.00 0.00 C ATOM 0 H TRP A 57 -9.477 11.780 7.763 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.995 9.417 8.693 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.108 10.005 6.592 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.257 8.473 6.607 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.416 9.914 7.782 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.573 8.554 9.726 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.323 7.169 9.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.621 6.693 11.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.455 5.770 11.162 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.559 5.568 12.421 1.00 0.00 H new ATOM 788 N THR A 58 -5.922 10.132 7.493 1.00 0.00 N ATOM 789 CA THR A 58 -4.600 9.990 6.818 1.00 0.00 C ATOM 790 C THR A 58 -4.195 8.486 6.580 1.00 0.00 C ATOM 791 O THR A 58 -4.713 7.615 7.290 1.00 0.00 O ATOM 792 CB THR A 58 -3.525 10.745 7.673 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.461 10.245 9.005 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.726 12.269 7.764 1.00 0.00 C ATOM 0 H THR A 58 -5.842 10.350 8.486 1.00 0.00 H new ATOM 0 HA THR A 58 -4.666 10.433 5.824 1.00 0.00 H new ATOM 0 HB THR A 58 -2.597 10.556 7.133 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.779 10.738 9.507 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.935 12.704 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.691 12.701 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.694 12.482 8.218 1.00 0.00 H new ATOM 802 N PRO A 59 -3.261 8.104 5.651 1.00 0.00 N ATOM 803 CA PRO A 59 -2.771 6.691 5.519 1.00 0.00 C ATOM 804 C PRO A 59 -2.292 5.955 6.815 1.00 0.00 C ATOM 805 O PRO A 59 -2.725 4.835 7.097 1.00 0.00 O ATOM 806 CB PRO A 59 -1.676 6.819 4.438 1.00 0.00 C ATOM 807 CG PRO A 59 -1.306 8.301 4.365 1.00 0.00 C ATOM 808 CD PRO A 59 -2.603 9.031 4.705 1.00 0.00 C ATOM 0 HA PRO A 59 -3.596 6.027 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.806 6.215 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.039 6.462 3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.513 8.548 5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.945 8.572 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.413 10.004 5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.213 9.206 3.819 1.00 0.00 H new ATOM 816 N GLU A 60 -1.458 6.630 7.617 1.00 0.00 N ATOM 817 CA GLU A 60 -1.132 6.225 9.019 1.00 0.00 C ATOM 818 C GLU A 60 -2.330 5.997 10.012 1.00 0.00 C ATOM 819 O GLU A 60 -2.329 4.995 10.737 1.00 0.00 O ATOM 820 CB GLU A 60 -0.025 7.165 9.572 1.00 0.00 C ATOM 821 CG GLU A 60 -0.433 8.638 9.828 1.00 0.00 C ATOM 822 CD GLU A 60 0.720 9.539 10.255 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.937 9.506 11.599 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.377 10.221 9.475 1.00 0.00 O ATOM 0 H GLU A 60 -0.979 7.481 7.322 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.758 5.203 8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.343 6.745 10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.809 7.159 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.879 9.043 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.203 8.662 10.599 1.00 0.00 H new ATOM 831 N ALA A 61 -3.345 6.883 10.049 1.00 0.00 N ATOM 832 CA ALA A 61 -4.616 6.637 10.790 1.00 0.00 C ATOM 833 C ALA A 61 -5.528 5.508 10.200 1.00 0.00 C ATOM 834 O ALA A 61 -5.979 4.638 10.951 1.00 0.00 O ATOM 835 CB ALA A 61 -5.351 7.987 10.904 1.00 0.00 C ATOM 0 H ALA A 61 -3.316 7.785 9.573 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.361 6.243 11.774 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.289 7.847 11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.725 8.697 11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.560 8.373 9.906 1.00 0.00 H new ATOM 841 N LEU A 62 -5.760 5.488 8.871 1.00 0.00 N ATOM 842 CA LEU A 62 -6.449 4.371 8.163 1.00 0.00 C ATOM 843 C LEU A 62 -5.805 2.957 8.350 1.00 0.00 C ATOM 844 O LEU A 62 -6.537 2.023 8.680 1.00 0.00 O ATOM 845 CB LEU A 62 -6.575 4.729 6.649 1.00 0.00 C ATOM 846 CG LEU A 62 -7.575 5.851 6.263 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.313 6.344 4.830 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.037 5.381 6.375 1.00 0.00 C ATOM 0 H LEU A 62 -5.476 6.246 8.250 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.430 4.278 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.588 5.018 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.859 3.824 6.111 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.420 6.668 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.025 7.130 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.299 6.737 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.429 5.514 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.704 6.197 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.199 4.535 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.244 5.078 7.401 1.00 0.00 H new ATOM 860 N GLN A 63 -4.476 2.774 8.186 1.00 0.00 N ATOM 861 CA GLN A 63 -3.807 1.463 8.456 1.00 0.00 C ATOM 862 C GLN A 63 -3.839 0.967 9.947 1.00 0.00 C ATOM 863 O GLN A 63 -4.007 -0.230 10.194 1.00 0.00 O ATOM 864 CB GLN A 63 -2.414 1.425 7.756 1.00 0.00 C ATOM 865 CG GLN A 63 -1.187 2.002 8.509 1.00 0.00 C ATOM 866 CD GLN A 63 -0.502 1.054 9.508 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.577 -0.171 9.434 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.216 1.592 10.463 1.00 0.00 N ATOM 0 H GLN A 63 -3.841 3.507 7.870 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.421 0.689 7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.194 0.385 7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.504 1.961 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.448 2.316 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.503 2.897 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.288 2.607 10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.703 0.996 11.132 1.00 0.00 H new ATOM 877 N GLU A 64 -3.733 1.873 10.936 1.00 0.00 N ATOM 878 CA GLU A 64 -4.057 1.575 12.362 1.00 0.00 C ATOM 879 C GLU A 64 -5.549 1.159 12.605 1.00 0.00 C ATOM 880 O GLU A 64 -5.792 0.087 13.167 1.00 0.00 O ATOM 881 CB GLU A 64 -3.634 2.796 13.226 1.00 0.00 C ATOM 882 CG GLU A 64 -2.107 3.046 13.313 1.00 0.00 C ATOM 883 CD GLU A 64 -1.742 4.341 14.031 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.790 5.424 13.198 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.440 4.392 15.219 1.00 0.00 O ATOM 0 H GLU A 64 -3.422 2.832 10.780 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.491 0.693 12.662 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.110 3.689 12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.021 2.658 14.235 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.639 2.209 13.830 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.693 3.070 12.305 1.00 0.00 H new ATOM 892 N PHE A 65 -6.540 1.957 12.154 1.00 0.00 N ATOM 893 CA PHE A 65 -7.979 1.574 12.181 1.00 0.00 C ATOM 894 C PHE A 65 -8.354 0.265 11.408 1.00 0.00 C ATOM 895 O PHE A 65 -9.099 -0.550 11.943 1.00 0.00 O ATOM 896 CB PHE A 65 -8.752 2.826 11.694 1.00 0.00 C ATOM 897 CG PHE A 65 -10.286 2.716 11.753 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.964 2.825 12.973 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.014 2.483 10.583 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.350 2.695 13.020 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.398 2.354 10.636 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.067 2.459 11.850 1.00 0.00 C ATOM 0 H PHE A 65 -6.372 2.883 11.761 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.259 1.293 13.196 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.442 3.681 12.295 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.459 3.037 10.666 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.410 3.011 13.881 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.501 2.403 9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.868 2.777 13.964 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.956 2.171 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.142 2.358 11.886 1.00 0.00 H new ATOM 912 N LEU A 66 -7.840 0.024 10.192 1.00 0.00 N ATOM 913 CA LEU A 66 -7.998 -1.293 9.504 1.00 0.00 C ATOM 914 C LEU A 66 -7.155 -2.483 10.084 1.00 0.00 C ATOM 915 O LEU A 66 -7.462 -3.631 9.760 1.00 0.00 O ATOM 916 CB LEU A 66 -7.745 -1.100 7.981 1.00 0.00 C ATOM 917 CG LEU A 66 -8.681 -0.118 7.223 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.189 0.069 5.779 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.152 -0.569 7.226 1.00 0.00 C ATOM 0 H LEU A 66 -7.311 0.713 9.656 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.024 -1.608 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.719 -0.757 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.819 -2.075 7.500 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.641 0.832 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.851 0.759 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.177 0.474 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.189 -0.893 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.756 0.157 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.235 -1.544 6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.509 -0.640 8.254 1.00 0.00 H new ATOM 931 N THR A 67 -6.156 -2.258 10.963 1.00 0.00 N ATOM 932 CA THR A 67 -5.571 -3.328 11.830 1.00 0.00 C ATOM 933 C THR A 67 -6.588 -3.834 12.914 1.00 0.00 C ATOM 934 O THR A 67 -6.885 -5.030 12.941 1.00 0.00 O ATOM 935 CB THR A 67 -4.210 -2.859 12.442 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.326 -2.358 11.444 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.426 -3.981 13.144 1.00 0.00 C ATOM 0 H THR A 67 -5.729 -1.342 11.099 1.00 0.00 H new ATOM 0 HA THR A 67 -5.360 -4.194 11.202 1.00 0.00 H new ATOM 0 HB THR A 67 -4.504 -2.094 13.160 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.471 -1.395 11.332 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.494 -3.579 13.543 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.024 -4.388 13.959 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.203 -4.772 12.428 1.00 0.00 H new ATOM 945 N ASN A 68 -7.124 -2.950 13.784 1.00 0.00 N ATOM 946 CA ASN A 68 -8.251 -3.290 14.696 1.00 0.00 C ATOM 947 C ASN A 68 -9.171 -2.023 14.856 1.00 0.00 C ATOM 948 O ASN A 68 -8.781 -1.107 15.595 1.00 0.00 O ATOM 949 CB ASN A 68 -7.697 -3.842 16.041 1.00 0.00 C ATOM 950 CG ASN A 68 -8.754 -4.387 17.018 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.869 -3.889 17.149 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.433 -5.408 17.772 1.00 0.00 N ATOM 0 H ASN A 68 -6.795 -1.989 13.878 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.870 -4.085 14.281 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.985 -4.638 15.822 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.142 -3.047 16.539 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.103 -5.772 18.449 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.513 -5.839 17.682 1.00 0.00 H new ATOM 959 N PRO A 69 -10.391 -1.922 14.241 1.00 0.00 N ATOM 960 CA PRO A 69 -11.250 -0.711 14.379 1.00 0.00 C ATOM 961 C PRO A 69 -11.922 -0.466 15.767 1.00 0.00 C ATOM 962 O PRO A 69 -12.064 0.690 16.173 1.00 0.00 O ATOM 963 CB PRO A 69 -12.233 -0.835 13.200 1.00 0.00 C ATOM 964 CG PRO A 69 -12.200 -2.288 12.733 1.00 0.00 C ATOM 965 CD PRO A 69 -10.887 -2.886 13.238 1.00 0.00 C ATOM 0 HA PRO A 69 -10.644 0.194 14.341 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.240 -0.553 13.508 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.948 -0.164 12.390 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.053 -2.840 13.128 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.258 -2.346 11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.045 -3.870 13.680 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.172 -3.013 12.425 1.00 0.00 H new ATOM 973 N LYS A 70 -12.286 -1.534 16.499 1.00 0.00 N ATOM 974 CA LYS A 70 -12.748 -1.451 17.915 1.00 0.00 C ATOM 975 C LYS A 70 -11.688 -0.988 18.972 1.00 0.00 C ATOM 976 O LYS A 70 -12.050 -0.330 19.948 1.00 0.00 O ATOM 977 CB LYS A 70 -13.396 -2.802 18.336 1.00 0.00 C ATOM 978 CG LYS A 70 -14.687 -3.255 17.602 1.00 0.00 C ATOM 979 CD LYS A 70 -14.450 -4.060 16.303 1.00 0.00 C ATOM 980 CE LYS A 70 -15.722 -4.676 15.693 1.00 0.00 C ATOM 981 NZ LYS A 70 -16.179 -5.868 16.434 1.00 0.00 N ATOM 0 H LYS A 70 -12.271 -2.486 16.133 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.480 -0.644 17.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.648 -3.584 18.208 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.620 -2.746 19.401 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.282 -3.862 18.285 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.280 -2.372 17.362 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.988 -3.405 15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.738 -4.859 16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.516 -3.930 15.685 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.529 -4.948 14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.038 -6.247 15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.433 -6.592 16.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.389 -5.606 17.418 1.00 0.00 H new ATOM 994 N ALA A 71 -10.400 -1.308 18.780 1.00 0.00 N ATOM 995 CA ALA A 71 -9.285 -0.703 19.558 1.00 0.00 C ATOM 996 C ALA A 71 -8.998 0.810 19.269 1.00 0.00 C ATOM 997 O ALA A 71 -8.845 1.584 20.216 1.00 0.00 O ATOM 998 CB ALA A 71 -8.045 -1.588 19.333 1.00 0.00 C ATOM 0 H ALA A 71 -10.092 -1.990 18.086 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.579 -0.684 20.607 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.201 -1.179 19.888 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.252 -2.600 19.681 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.803 -1.612 18.270 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.933 1.240 17.990 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.731 2.680 17.618 1.00 0.00 C ATOM 1006 C VAL A 72 -9.979 3.588 17.913 1.00 0.00 C ATOM 1007 O VAL A 72 -9.807 4.667 18.491 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.182 2.788 16.149 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.036 4.236 15.616 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.797 2.121 15.975 1.00 0.00 C ATOM 0 H VAL A 72 -9.017 0.617 17.187 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.966 3.093 18.276 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.949 2.267 15.576 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.651 4.211 14.596 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.009 4.727 15.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.345 4.790 16.251 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.469 2.227 14.941 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.076 2.602 16.635 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.869 1.063 16.226 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.203 3.190 17.516 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.456 3.914 17.888 1.00 0.00 C ATOM 1022 C VAL A 73 -13.222 2.996 18.901 1.00 0.00 C ATOM 1023 O VAL A 73 -13.910 2.045 18.510 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.278 4.304 16.612 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.600 5.028 16.953 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.521 5.218 15.617 1.00 0.00 C ATOM 0 H VAL A 73 -11.362 2.367 16.934 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.253 4.869 18.372 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.466 3.338 16.144 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.128 5.274 16.032 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.224 4.377 17.566 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.382 5.944 17.502 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.163 5.438 14.764 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.246 6.148 16.114 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.620 4.712 15.271 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.096 3.290 20.211 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.621 2.409 21.293 1.00 0.00 C ATOM 1038 C LYS A 74 -15.171 2.531 21.465 1.00 0.00 C ATOM 1039 O LYS A 74 -15.680 3.474 22.073 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.804 2.721 22.576 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.022 1.721 23.735 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.165 2.057 24.970 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.385 1.055 26.114 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.552 1.417 27.275 1.00 0.00 N ATOM 0 H LYS A 74 -12.634 4.133 20.554 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.485 1.358 21.039 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.744 2.737 22.322 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.064 3.721 22.922 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.075 1.719 24.017 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.782 0.714 23.393 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.112 2.062 24.690 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.407 3.062 25.317 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.437 1.045 26.401 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.136 0.048 25.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.709 0.732 28.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.549 1.405 27.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.809 2.370 27.603 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.905 1.566 20.889 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.374 1.689 20.654 1.00 0.00 C ATOM 1059 C GLY A 75 -17.835 2.208 19.262 1.00 0.00 C ATOM 1060 O GLY A 75 -18.868 2.879 19.150 1.00 0.00 O ATOM 0 H GLY A 75 -15.512 0.680 20.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.824 0.709 20.814 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.782 2.355 21.414 1.00 0.00 H new ATOM 1064 N THR A 76 -17.122 1.822 18.192 1.00 0.00 N ATOM 1065 CA THR A 76 -17.601 1.959 16.787 1.00 0.00 C ATOM 1066 C THR A 76 -18.777 0.984 16.446 1.00 0.00 C ATOM 1067 O THR A 76 -18.789 -0.175 16.873 1.00 0.00 O ATOM 1068 CB THR A 76 -16.389 1.782 15.813 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.780 2.064 14.476 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.704 0.404 15.761 1.00 0.00 C ATOM 0 H THR A 76 -16.194 1.404 18.266 1.00 0.00 H new ATOM 0 HA THR A 76 -18.017 2.959 16.664 1.00 0.00 H new ATOM 0 HB THR A 76 -15.666 2.480 16.234 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.435 2.793 14.474 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.884 0.432 15.044 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.315 0.154 16.748 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.428 -0.351 15.454 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.727 1.432 15.606 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.692 0.499 14.937 1.00 0.00 C ATOM 1080 C LYS A 77 -20.157 -0.308 13.693 1.00 0.00 C ATOM 1081 O LYS A 77 -20.928 -1.059 13.089 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.043 1.232 14.681 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.031 2.431 13.704 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.387 3.129 13.471 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.335 2.450 12.465 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.093 1.334 13.068 1.00 0.00 N ATOM 0 H LYS A 77 -19.858 2.415 15.368 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.854 -0.313 15.646 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.757 0.499 14.305 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.422 1.584 15.641 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.324 3.171 14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.653 2.086 12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.902 3.207 14.429 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.195 4.146 13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.033 3.189 12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.756 2.077 11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.968 1.177 12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -24.514 0.470 13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.331 1.568 14.053 1.00 0.00 H new ATOM 1099 N MET A 78 -18.858 -0.218 13.325 1.00 0.00 N ATOM 1100 CA MET A 78 -18.263 -1.023 12.228 1.00 0.00 C ATOM 1101 C MET A 78 -17.979 -2.493 12.671 1.00 0.00 C ATOM 1102 O MET A 78 -17.023 -2.761 13.406 1.00 0.00 O ATOM 1103 CB MET A 78 -16.999 -0.295 11.685 1.00 0.00 C ATOM 1104 CG MET A 78 -16.354 -1.014 10.481 1.00 0.00 C ATOM 1105 SD MET A 78 -15.572 0.151 9.292 1.00 0.00 S ATOM 1106 CE MET A 78 -13.889 -0.553 9.411 1.00 0.00 C ATOM 0 H MET A 78 -18.194 0.411 13.776 1.00 0.00 H new ATOM 0 HA MET A 78 -18.981 -1.106 11.412 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.270 0.719 11.392 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.264 -0.210 12.486 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.603 -1.716 10.843 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.114 -1.599 9.963 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.215 0.003 8.760 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.538 -0.484 10.441 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.909 -1.599 9.104 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.778 -3.446 12.159 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.548 -4.897 12.390 1.00 0.00 C ATOM 1118 C ALA A 79 -17.461 -5.492 11.433 1.00 0.00 C ATOM 1119 O ALA A 79 -17.748 -6.164 10.437 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.927 -5.578 12.291 1.00 0.00 C ATOM 0 H ALA A 79 -19.593 -3.244 11.580 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.126 -5.080 13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.816 -6.650 12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.593 -5.163 13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.349 -5.403 11.301 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.192 -5.217 11.769 1.00 0.00 N ATOM 1127 CA PHE A 80 -15.011 -5.661 10.988 1.00 0.00 C ATOM 1128 C PHE A 80 -13.870 -6.027 11.989 1.00 0.00 C ATOM 1129 O PHE A 80 -13.502 -5.228 12.855 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.616 -4.528 9.993 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.558 -4.930 8.954 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.931 -5.681 7.834 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.212 -4.597 9.140 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.968 -6.113 6.926 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.250 -5.026 8.228 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.628 -5.794 7.129 1.00 0.00 C ATOM 0 H PHE A 80 -15.946 -4.675 12.598 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.222 -6.550 10.394 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.512 -4.193 9.470 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.243 -3.677 10.562 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.970 -5.927 7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.917 -4.005 9.994 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.260 -6.695 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.212 -4.763 8.373 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.880 -6.143 6.433 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.288 -7.231 11.860 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.175 -7.677 12.741 1.00 0.00 C ATOM 1148 C ALA A 81 -10.792 -7.011 12.439 1.00 0.00 C ATOM 1149 O ALA A 81 -10.215 -6.382 13.331 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.149 -9.219 12.697 1.00 0.00 C ATOM 0 H ALA A 81 -13.563 -7.918 11.158 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.366 -7.335 13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.344 -9.588 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.102 -9.609 13.055 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.983 -9.551 11.672 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.267 -7.142 11.207 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.951 -6.562 10.846 1.00 0.00 C ATOM 1158 C GLY A 82 -8.325 -7.105 9.545 1.00 0.00 C ATOM 1159 O GLY A 82 -8.512 -8.262 9.160 1.00 0.00 O ATOM 0 H GLY A 82 -10.727 -7.641 10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.062 -5.482 10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.256 -6.741 11.666 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.501 -6.262 8.912 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.563 -6.679 7.836 1.00 0.00 C ATOM 1165 C LEU A 83 -5.132 -6.854 8.468 1.00 0.00 C ATOM 1166 O LEU A 83 -4.454 -5.835 8.667 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.566 -5.614 6.699 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.849 -5.435 5.848 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.675 -4.266 4.863 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.236 -6.698 5.059 1.00 0.00 C ATOM 0 H LEU A 83 -7.458 -5.265 9.125 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.871 -7.628 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.331 -4.650 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.749 -5.855 6.019 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.654 -5.229 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.583 -4.151 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.485 -3.348 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.834 -4.470 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.142 -6.505 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.426 -6.965 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.414 -7.520 5.752 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.617 -8.074 8.818 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.334 -8.220 9.572 1.00 0.00 C ATOM 1184 C PRO A 84 -1.996 -7.881 8.835 1.00 0.00 C ATOM 1185 O PRO A 84 -1.067 -7.384 9.480 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.414 -9.675 10.076 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.308 -10.402 9.070 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.343 -9.353 8.666 1.00 0.00 C ATOM 0 HA PRO A 84 -3.268 -7.462 10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.425 -10.130 10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.834 -9.721 11.081 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.738 -10.751 8.209 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.780 -11.277 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.685 -9.501 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.225 -9.392 9.306 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.897 -8.094 7.513 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.675 -7.788 6.726 1.00 0.00 C ATOM 1198 C LYS A 85 -0.652 -6.299 6.256 1.00 0.00 C ATOM 1199 O LYS A 85 -1.580 -5.810 5.599 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.595 -8.756 5.515 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.413 -10.254 5.857 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.304 -11.135 4.598 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.140 -12.622 4.947 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.049 -13.426 3.714 1.00 0.00 N ATOM 0 H LYS A 85 -2.656 -8.482 6.954 1.00 0.00 H new ATOM 0 HA LYS A 85 0.198 -7.931 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.506 -8.646 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.235 -8.445 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.484 -10.379 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.255 -10.591 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.196 -11.003 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.546 -10.808 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.756 -12.765 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.985 -12.958 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.062 -14.430 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.916 -13.301 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.772 -13.115 3.156 1.00 0.00 H new ATOM 1217 N ILE A 86 0.457 -5.600 6.557 1.00 0.00 N ATOM 1218 CA ILE A 86 0.739 -4.216 6.055 1.00 0.00 C ATOM 1219 C ILE A 86 0.605 -3.992 4.509 1.00 0.00 C ATOM 1220 O ILE A 86 -0.034 -3.018 4.107 1.00 0.00 O ATOM 1221 CB ILE A 86 2.095 -3.702 6.653 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.404 -2.201 6.381 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.332 -4.538 6.225 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.436 -1.191 7.017 1.00 0.00 C ATOM 0 H ILE A 86 1.195 -5.969 7.157 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.074 -3.593 6.427 1.00 0.00 H new ATOM 0 HB ILE A 86 1.927 -3.829 7.723 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.410 -1.986 6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.409 -2.041 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.230 -4.119 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.206 -5.569 6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.430 -4.514 5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.748 -0.178 6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.428 -1.366 6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.445 -1.311 8.100 1.00 0.00 H new ATOM 1236 N GLU A 87 1.155 -4.882 3.655 1.00 0.00 N ATOM 1237 CA GLU A 87 0.934 -4.826 2.181 1.00 0.00 C ATOM 1238 C GLU A 87 -0.553 -4.919 1.693 1.00 0.00 C ATOM 1239 O GLU A 87 -0.917 -4.166 0.793 1.00 0.00 O ATOM 1240 CB GLU A 87 1.925 -5.754 1.416 1.00 0.00 C ATOM 1241 CG GLU A 87 1.941 -7.283 1.687 1.00 0.00 C ATOM 1242 CD GLU A 87 0.675 -8.045 1.297 1.00 0.00 C ATOM 1243 OE1 GLU A 87 0.224 -8.101 0.157 1.00 0.00 O ATOM 1244 OE2 GLU A 87 0.078 -8.614 2.378 1.00 0.00 O ATOM 0 H GLU A 87 1.756 -5.650 3.954 1.00 0.00 H new ATOM 0 HA GLU A 87 1.178 -3.800 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.736 -5.618 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.931 -5.382 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.784 -7.718 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.124 -7.442 2.750 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.435 -5.746 2.298 1.00 0.00 N ATOM 1252 CA ASP A 88 -2.908 -5.692 2.027 1.00 0.00 C ATOM 1253 C ASP A 88 -3.606 -4.354 2.456 1.00 0.00 C ATOM 1254 O ASP A 88 -4.424 -3.827 1.696 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.607 -6.932 2.648 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.317 -8.254 1.934 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -4.138 -8.455 0.867 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -2.438 -9.041 2.273 1.00 0.00 O ATOM 0 H ASP A 88 -1.164 -6.459 2.975 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.020 -5.715 0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.299 -7.022 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.684 -6.763 2.648 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.248 -3.781 3.623 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.624 -2.387 4.002 1.00 0.00 C ATOM 1265 C ARG A 89 -3.087 -1.280 3.032 1.00 0.00 C ATOM 1266 O ARG A 89 -3.891 -0.504 2.513 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.212 -2.101 5.475 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.784 -3.070 6.540 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.688 -2.586 7.998 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.286 -2.441 8.490 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.583 -3.379 9.117 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.977 -4.614 9.256 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.439 -3.037 9.626 1.00 0.00 N ATOM 0 H ARG A 89 -2.693 -4.261 4.332 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.709 -2.332 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.124 -2.124 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.525 -1.088 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.832 -3.260 6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.261 -4.023 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.196 -1.626 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.219 -3.289 8.641 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.827 -1.544 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.874 -4.909 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.388 -5.285 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.108 -2.076 9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.129 -3.729 10.115 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.769 -1.222 2.755 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.184 -0.320 1.725 1.00 0.00 C ATOM 1289 C ALA A 90 -1.681 -0.496 0.249 1.00 0.00 C ATOM 1290 O ALA A 90 -1.906 0.513 -0.422 1.00 0.00 O ATOM 1291 CB ALA A 90 0.344 -0.445 1.862 1.00 0.00 C ATOM 0 H ALA A 90 -1.075 -1.796 3.235 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.541 0.690 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.829 0.198 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.645 -0.142 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.641 -1.480 1.691 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.923 -1.729 -0.246 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.668 -1.977 -1.518 1.00 0.00 C ATOM 1299 C ASN A 91 -4.113 -1.374 -1.546 1.00 0.00 C ATOM 1300 O ASN A 91 -4.434 -0.616 -2.468 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.686 -3.502 -1.835 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.362 -4.161 -2.247 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.399 -3.534 -2.667 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.277 -5.466 -2.181 1.00 0.00 N ATOM 0 H ASN A 91 -1.612 -2.583 0.216 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.126 -1.445 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.060 -4.023 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.407 -3.670 -2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.422 -5.937 -2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.066 -6.012 -1.834 1.00 0.00 H new ATOM 1311 N LEU A 92 -4.966 -1.658 -0.537 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.271 -0.954 -0.359 1.00 0.00 C ATOM 1313 C LEU A 92 -6.179 0.598 -0.193 1.00 0.00 C ATOM 1314 O LEU A 92 -6.947 1.314 -0.837 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.058 -1.654 0.785 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.546 -1.221 0.928 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.428 -2.379 1.407 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.726 -0.052 1.910 1.00 0.00 C ATOM 0 H LEU A 92 -4.781 -2.369 0.171 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.823 -1.046 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.024 -2.731 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.547 -1.459 1.728 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.852 -0.904 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.460 -2.038 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.376 -3.197 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.077 -2.726 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.782 0.211 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.366 -0.346 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.158 0.809 1.558 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.266 1.129 0.637 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.060 2.600 0.804 1.00 0.00 C ATOM 1332 C ILE A 93 -4.509 3.306 -0.489 1.00 0.00 C ATOM 1333 O ILE A 93 -5.005 4.386 -0.808 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.281 2.843 2.144 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.124 2.427 3.395 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.800 4.307 2.327 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.324 2.233 4.690 1.00 0.00 C ATOM 0 H ILE A 93 -4.645 0.563 1.215 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.016 3.113 0.911 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.399 2.207 2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.886 3.187 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.647 1.498 3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.270 4.400 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.131 4.575 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.661 4.976 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.000 1.946 5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.580 1.450 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.823 3.165 4.951 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.598 2.703 -1.283 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.377 3.095 -2.707 1.00 0.00 C ATOM 1351 C ALA A 94 -4.647 3.142 -3.628 1.00 0.00 C ATOM 1352 O ALA A 94 -4.814 4.104 -4.383 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.298 2.154 -3.272 1.00 0.00 C ATOM 0 H ALA A 94 -2.999 1.940 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.060 4.138 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.105 2.406 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.380 2.266 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.644 1.123 -3.207 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.558 2.149 -3.546 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.910 2.234 -4.177 1.00 0.00 C ATOM 1361 C TYR A 95 -7.832 3.376 -3.613 1.00 0.00 C ATOM 1362 O TYR A 95 -8.408 4.116 -4.412 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.540 0.814 -4.128 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.880 0.652 -4.859 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -8.928 0.657 -6.257 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.066 0.508 -4.131 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.148 0.530 -6.917 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.283 0.373 -4.794 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.323 0.384 -6.186 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.511 0.236 -6.849 1.00 0.00 O ATOM 0 H TYR A 95 -5.389 1.274 -3.050 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.799 2.546 -5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.828 0.106 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.681 0.536 -3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.016 0.760 -6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.038 0.502 -3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.182 0.545 -7.996 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.196 0.260 -4.229 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.122 -0.306 -6.308 1.00 0.00 H new ATOM 1380 N LEU A 96 -7.937 3.569 -2.282 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.557 4.791 -1.675 1.00 0.00 C ATOM 1382 C LEU A 96 -7.912 6.168 -2.077 1.00 0.00 C ATOM 1383 O LEU A 96 -8.646 7.135 -2.283 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.621 4.662 -0.125 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.386 3.466 0.503 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.266 3.519 2.038 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.867 3.416 0.093 1.00 0.00 C ATOM 0 H LEU A 96 -7.601 2.896 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.559 4.820 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.596 4.626 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.068 5.578 0.263 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.924 2.556 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.804 2.678 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.215 3.464 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.693 4.452 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.346 2.558 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.364 4.331 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.942 3.323 -0.990 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.574 6.260 -2.221 1.00 0.00 N ATOM 1400 CA GLU A 97 -5.884 7.415 -2.873 1.00 0.00 C ATOM 1401 C GLU A 97 -6.266 7.674 -4.375 1.00 0.00 C ATOM 1402 O GLU A 97 -6.449 8.833 -4.755 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.348 7.248 -2.696 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.821 7.445 -1.251 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.347 7.090 -1.080 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -1.524 8.126 -1.401 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.946 5.997 -0.692 1.00 0.00 O ATOM 0 H GLU A 97 -5.932 5.539 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.239 8.311 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.066 6.251 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.844 7.961 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.971 8.484 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.414 6.833 -0.571 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.435 6.630 -5.211 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.181 6.750 -6.500 1.00 0.00 C ATOM 1416 C GLY A 98 -8.690 7.125 -6.445 1.00 0.00 C ATOM 1417 O GLY A 98 -9.159 7.887 -7.291 1.00 0.00 O ATOM 0 H GLY A 98 -6.071 5.695 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.674 7.498 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.093 5.799 -7.025 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.445 6.605 -5.465 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.876 6.964 -5.229 1.00 0.00 C ATOM 1423 C GLN A 99 -11.064 8.178 -4.244 1.00 0.00 C ATOM 1424 O GLN A 99 -11.778 8.099 -3.237 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.604 5.677 -4.735 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.648 4.442 -5.680 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.507 4.606 -6.937 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.706 4.348 -6.944 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.935 5.037 -8.035 1.00 0.00 N ATOM 0 H GLN A 99 -9.088 5.917 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.318 7.315 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.132 5.365 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.632 5.948 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.629 4.203 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.020 3.587 -5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.938 5.254 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.487 5.155 -8.885 1.00 0.00 H new ATOM 1438 N GLN A 100 -10.451 9.320 -4.585 1.00 0.00 N ATOM 1439 CA GLN A 100 -10.626 10.606 -3.854 1.00 0.00 C ATOM 1440 C GLN A 100 -11.631 11.522 -4.595 1.00 0.00 C ATOM 1441 O GLN A 100 -12.718 11.786 -4.031 1.00 0.00 O ATOM 1442 CB GLN A 100 -9.263 11.311 -3.626 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.361 10.650 -2.552 1.00 0.00 C ATOM 1444 CD GLN A 100 -7.045 11.384 -2.281 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -6.907 12.152 -1.336 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -6.026 11.164 -3.076 1.00 0.00 N ATOM 1447 OXT GLN A 100 -11.343 11.995 -5.720 1.00 0.00 O ATOM 0 H GLN A 100 -9.814 9.390 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.041 10.388 -2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.720 11.336 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.449 12.346 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.921 10.581 -1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.135 9.631 -2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.124 10.528 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.135 11.629 -2.903 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.286 0.236 7.302 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.673 3.188 9.016 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.373 1.771 6.189 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.432 -2.676 6.046 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.116 -0.958 8.136 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.219 1.901 7.666 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.540 2.992 8.337 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.673 4.039 8.297 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.697 3.607 7.519 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.114 2.379 7.116 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.440 4.437 7.185 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.735 5.458 8.926 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.686 6.412 8.161 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.725 7.875 8.627 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.596 8.147 9.844 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.893 8.768 7.767 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.791 -0.267 6.297 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.686 0.423 5.722 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.923 -0.316 4.823 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.407 -1.607 4.885 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.496 -1.563 5.781 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.780 0.177 3.928 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.921 -2.817 4.052 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.520 -3.298 4.462 1.00 0.00 C HETATM 1481 NC HEC A 101 -16.992 -1.491 7.319 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.594 -2.556 6.701 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.491 -3.570 6.684 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.595 -3.057 7.230 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.226 -1.799 7.581 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.397 -4.999 6.125 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.997 -3.738 7.253 1.00 0.00 C HETATM 1488 CBC HEC A 101 -20.079 -5.049 8.051 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.657 1.053 8.190 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.866 0.435 8.546 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.668 1.177 9.427 1.00 0.00 C HETATM 1492 C3D HEC A 101 -18.968 2.334 9.705 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.778 2.229 8.977 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.033 0.785 10.001 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.395 3.465 10.658 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.734 3.353 12.053 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.197 4.349 13.118 1.00 0.00 C HETATM 1498 O1D HEC A 101 -18.774 4.199 14.284 1.00 0.00 O HETATM 1499 O2D HEC A 101 -20.025 5.240 12.833 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.741 0.636 9.186 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -20.936 -0.139 10.571 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.394 1.579 10.655 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.203 -4.958 5.053 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.585 -5.531 6.621 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.336 -5.522 6.304 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.152 0.951 3.257 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -10.983 0.587 4.548 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.392 -0.656 3.342 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.735 5.360 6.686 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -11.907 4.676 8.105 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.788 3.862 6.527 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -18.908 2.346 12.431 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.657 3.465 11.929 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.389 -5.778 7.625 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.811 -4.860 9.090 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -21.095 -5.441 8.004 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.803 -2.489 4.324 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.531 -3.598 5.510 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.232 -4.148 3.844 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.405 6.399 7.108 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.696 6.008 8.226 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.136 4.426 10.214 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.479 3.449 10.772 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.065 5.377 9.962 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.733 5.887 8.943 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.122 -1.345 8.299 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.157 -3.666 5.682 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.513 2.293 5.770 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.778 4.090 9.618 1.00 0.00 H new HETATM 0 H2D HEC A 101 -20.903 4.833 12.677 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.839 9.024 7.742 1.00 0.00 H new