USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 TYR OH : rot 180:sc= 1.02 USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.09 K(o=2.1,f=-7.9!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.501 X(o=0.45,f=0.85) USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= -0.0477 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.728 X(o=-0.19,f=0.25) USER MOD Set 3.2: A 40 ASN : amide:sc= 0.533 X(o=-0.19,f=0.25) USER MOD Set 4.1: A 13 ASN : amide:sc= 0.915 K(o=1.9,f=-0.95) USER MOD Set 4.2: A 17 TYR OH : rot -155:sc= 0.852 USER MOD Set 4.3: A 72 LYS NZ :NH3+ -154:sc= 0.101 (180deg=-0.125) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.156 (180deg=-0.651) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.292 (180deg=-0.447) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.14) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0727 K(o=-0.073,f=-2!) USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -0.485 (180deg=-2.51!) USER MOD Single : A 11 SER OG : rot 180:sc=-0.00208 USER MOD Single : A 16 SER OG : rot 70:sc= 1.09 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 77:sc= 1.22 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -52:sc= 1.2 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0428 (180deg=-0.283) USER MOD Single : A 51 MET CE :methyl 161:sc= -0.152 (180deg=-0.729) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0158 (180deg=-0.148) USER MOD Single : A 55 GLN : amide:sc= 0.3 X(o=0.3,f=-0.062) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.17 K(o=-0.17,f=-0.87) USER MOD Single : A 64 ASN : amide:sc= 1.18 K(o=1.2,f=-0.11) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.0787 X(o=-0.079,f=0.0022) USER MOD Single : A 91 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.089 9.378 11.032 1.00 0.00 N ATOM 2 CA MET A 1 16.933 8.321 10.422 1.00 0.00 C ATOM 3 C MET A 1 16.124 7.464 9.447 1.00 0.00 C ATOM 4 O MET A 1 16.655 6.542 8.826 1.00 0.00 O ATOM 5 CB MET A 1 17.579 7.441 11.513 1.00 0.00 C ATOM 6 CG MET A 1 16.613 6.940 12.581 1.00 0.00 C ATOM 7 SD MET A 1 15.419 5.731 11.973 1.00 0.00 S ATOM 8 CE MET A 1 16.500 4.383 11.492 1.00 0.00 C ATOM 0 H1 MET A 1 16.628 9.868 11.774 1.00 0.00 H new ATOM 0 H2 MET A 1 15.807 10.062 10.301 1.00 0.00 H new ATOM 0 H3 MET A 1 15.240 8.946 11.449 1.00 0.00 H new ATOM 0 HA MET A 1 17.728 8.810 9.859 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.050 6.581 11.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.372 8.010 11.998 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.185 6.494 13.395 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.074 7.791 12.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.922 3.461 11.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.951 4.605 10.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.285 4.262 12.239 1.00 0.00 H new ATOM 20 N VAL A 2 14.835 7.769 9.306 1.00 0.00 N ATOM 21 CA VAL A 2 13.972 7.007 8.415 1.00 0.00 C ATOM 22 C VAL A 2 14.057 7.538 6.982 1.00 0.00 C ATOM 23 O VAL A 2 13.903 6.782 6.021 1.00 0.00 O ATOM 24 CB VAL A 2 12.504 7.031 8.907 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.953 8.449 8.932 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.631 6.132 8.050 1.00 0.00 C ATOM 0 H VAL A 2 14.371 8.534 9.795 1.00 0.00 H new ATOM 0 HA VAL A 2 14.321 5.975 8.423 1.00 0.00 H new ATOM 0 HB VAL A 2 12.491 6.649 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.921 8.432 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.554 9.061 9.604 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.989 8.871 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.605 6.166 8.415 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.659 6.476 7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.001 5.108 8.102 1.00 0.00 H new ATOM 36 N LYS A 3 14.360 8.831 6.858 1.00 0.00 N ATOM 37 CA LYS A 3 14.380 9.520 5.571 1.00 0.00 C ATOM 38 C LYS A 3 13.012 9.436 4.900 1.00 0.00 C ATOM 39 O LYS A 3 12.794 8.608 4.011 1.00 0.00 O ATOM 40 CB LYS A 3 15.466 8.971 4.631 1.00 0.00 C ATOM 41 CG LYS A 3 16.896 9.278 5.068 1.00 0.00 C ATOM 42 CD LYS A 3 17.405 8.299 6.113 1.00 0.00 C ATOM 43 CE LYS A 3 17.545 6.898 5.538 1.00 0.00 C ATOM 44 NZ LYS A 3 18.106 5.942 6.529 1.00 0.00 N ATOM 0 H LYS A 3 14.598 9.429 7.649 1.00 0.00 H new ATOM 0 HA LYS A 3 14.621 10.564 5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.348 7.890 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.308 9.383 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 3 17.553 9.251 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.941 10.290 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.370 8.637 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.720 8.280 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.569 6.544 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.190 6.929 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.122 4.986 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.075 6.228 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.515 5.942 7.385 1.00 0.00 H new ATOM 58 N ASP A 4 12.098 10.290 5.363 1.00 0.00 N ATOM 59 CA ASP A 4 10.726 10.355 4.854 1.00 0.00 C ATOM 60 C ASP A 4 9.907 9.152 5.308 1.00 0.00 C ATOM 61 O ASP A 4 10.105 8.035 4.829 1.00 0.00 O ATOM 62 CB ASP A 4 10.685 10.461 3.319 1.00 0.00 C ATOM 63 CG ASP A 4 11.366 11.706 2.794 1.00 0.00 C ATOM 64 OD1 ASP A 4 10.854 12.815 3.033 1.00 0.00 O ATOM 65 OD2 ASP A 4 12.419 11.580 2.130 1.00 0.00 O ATOM 0 H ASP A 4 12.290 10.961 6.107 1.00 0.00 H new ATOM 0 HA ASP A 4 10.285 11.260 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.163 9.582 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.647 10.454 2.987 1.00 0.00 H new ATOM 70 N LYS A 5 8.979 9.385 6.233 1.00 0.00 N ATOM 71 CA LYS A 5 8.085 8.330 6.702 1.00 0.00 C ATOM 72 C LYS A 5 7.306 7.705 5.550 1.00 0.00 C ATOM 73 O LYS A 5 6.962 6.527 5.600 1.00 0.00 O ATOM 74 CB LYS A 5 7.097 8.863 7.737 1.00 0.00 C ATOM 75 CG LYS A 5 7.562 8.711 9.175 1.00 0.00 C ATOM 76 CD LYS A 5 6.438 9.045 10.139 1.00 0.00 C ATOM 77 CE LYS A 5 6.779 8.669 11.572 1.00 0.00 C ATOM 78 NZ LYS A 5 5.639 8.948 12.485 1.00 0.00 N ATOM 0 H LYS A 5 8.827 10.293 6.672 1.00 0.00 H new ATOM 0 HA LYS A 5 8.714 7.568 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.911 9.918 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.146 8.343 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.904 7.690 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.413 9.367 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.222 10.112 10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.532 8.521 9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.038 7.611 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.656 9.228 11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.899 8.682 13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.409 9.962 12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.811 8.396 12.185 1.00 0.00 H new ATOM 92 N GLN A 6 7.046 8.499 4.513 1.00 0.00 N ATOM 93 CA GLN A 6 6.302 8.028 3.348 1.00 0.00 C ATOM 94 C GLN A 6 6.988 6.806 2.740 1.00 0.00 C ATOM 95 O GLN A 6 6.332 5.864 2.299 1.00 0.00 O ATOM 96 CB GLN A 6 6.198 9.146 2.303 1.00 0.00 C ATOM 97 CG GLN A 6 5.241 8.834 1.164 1.00 0.00 C ATOM 98 CD GLN A 6 3.798 8.740 1.625 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.321 7.671 1.995 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.092 9.862 1.603 1.00 0.00 N ATOM 0 H GLN A 6 7.341 9.474 4.457 1.00 0.00 H new ATOM 0 HA GLN A 6 5.298 7.745 3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.874 10.063 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.188 9.338 1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.325 9.608 0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.532 7.893 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.525 10.731 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.116 9.857 1.900 1.00 0.00 H new ATOM 109 N LYS A 7 8.316 6.824 2.758 1.00 0.00 N ATOM 110 CA LYS A 7 9.114 5.720 2.241 1.00 0.00 C ATOM 111 C LYS A 7 8.878 4.461 3.069 1.00 0.00 C ATOM 112 O LYS A 7 8.678 3.372 2.529 1.00 0.00 O ATOM 113 CB LYS A 7 10.599 6.098 2.279 1.00 0.00 C ATOM 114 CG LYS A 7 11.530 5.034 1.720 1.00 0.00 C ATOM 115 CD LYS A 7 12.999 5.339 2.017 1.00 0.00 C ATOM 116 CE LYS A 7 13.564 6.450 1.136 1.00 0.00 C ATOM 117 NZ LYS A 7 12.939 7.778 1.392 1.00 0.00 N ATOM 0 H LYS A 7 8.866 7.599 3.129 1.00 0.00 H new ATOM 0 HA LYS A 7 8.817 5.520 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.742 7.021 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.883 6.307 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.269 4.065 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.387 4.958 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.101 5.625 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.589 4.434 1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.639 6.524 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.419 6.183 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.635 8.530 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.121 7.904 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.624 7.829 2.382 1.00 0.00 H new ATOM 131 N ALA A 8 8.884 4.627 4.387 1.00 0.00 N ATOM 132 CA ALA A 8 8.731 3.504 5.305 1.00 0.00 C ATOM 133 C ALA A 8 7.307 2.959 5.287 1.00 0.00 C ATOM 134 O ALA A 8 7.101 1.745 5.230 1.00 0.00 O ATOM 135 CB ALA A 8 9.115 3.921 6.717 1.00 0.00 C ATOM 0 H ALA A 8 8.994 5.532 4.845 1.00 0.00 H new ATOM 0 HA ALA A 8 9.399 2.709 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.996 3.073 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.154 4.251 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.471 4.737 7.043 1.00 0.00 H new ATOM 141 N ILE A 9 6.333 3.858 5.324 1.00 0.00 N ATOM 142 CA ILE A 9 4.928 3.464 5.355 1.00 0.00 C ATOM 143 C ILE A 9 4.542 2.726 4.078 1.00 0.00 C ATOM 144 O ILE A 9 3.911 1.668 4.134 1.00 0.00 O ATOM 145 CB ILE A 9 3.998 4.680 5.557 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.318 5.377 6.884 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.537 4.250 5.522 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.507 6.632 7.137 1.00 0.00 C ATOM 0 H ILE A 9 6.488 4.866 5.333 1.00 0.00 H new ATOM 0 HA ILE A 9 4.803 2.794 6.206 1.00 0.00 H new ATOM 0 HB ILE A 9 4.167 5.384 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.146 4.676 7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.377 5.633 6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.898 5.121 5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.315 3.793 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.351 3.528 6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.794 7.064 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.697 7.354 6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.446 6.382 7.155 1.00 0.00 H new ATOM 160 N PHE A 10 4.943 3.273 2.933 1.00 0.00 N ATOM 161 CA PHE A 10 4.690 2.631 1.648 1.00 0.00 C ATOM 162 C PHE A 10 5.328 1.245 1.616 1.00 0.00 C ATOM 163 O PHE A 10 4.703 0.269 1.197 1.00 0.00 O ATOM 164 CB PHE A 10 5.239 3.492 0.505 1.00 0.00 C ATOM 165 CG PHE A 10 5.018 2.912 -0.867 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.781 3.012 -1.486 1.00 0.00 C ATOM 167 CD2 PHE A 10 6.050 2.273 -1.541 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.578 2.484 -2.748 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.851 1.745 -2.804 1.00 0.00 C ATOM 170 CZ PHE A 10 4.614 1.851 -3.407 1.00 0.00 C ATOM 0 H PHE A 10 5.444 4.159 2.870 1.00 0.00 H new ATOM 0 HA PHE A 10 3.613 2.525 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.773 4.476 0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.308 3.639 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.967 3.508 -0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.020 2.187 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.609 2.567 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.662 1.251 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.456 1.439 -4.393 1.00 0.00 H new ATOM 180 N SER A 11 6.568 1.167 2.080 1.00 0.00 N ATOM 181 CA SER A 11 7.298 -0.090 2.121 1.00 0.00 C ATOM 182 C SER A 11 6.578 -1.110 2.996 1.00 0.00 C ATOM 183 O SER A 11 6.281 -2.215 2.552 1.00 0.00 O ATOM 184 CB SER A 11 8.709 0.144 2.658 1.00 0.00 C ATOM 185 OG SER A 11 9.439 -1.069 2.737 1.00 0.00 O ATOM 0 H SER A 11 7.091 1.967 2.436 1.00 0.00 H new ATOM 0 HA SER A 11 7.355 -0.484 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.235 0.846 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.653 0.602 3.646 1.00 0.00 H new ATOM 0 HG SER A 11 10.338 -0.888 3.082 1.00 0.00 H new ATOM 191 N GLU A 12 6.287 -0.717 4.233 1.00 0.00 N ATOM 192 CA GLU A 12 5.667 -1.613 5.206 1.00 0.00 C ATOM 193 C GLU A 12 4.297 -2.074 4.735 1.00 0.00 C ATOM 194 O GLU A 12 3.968 -3.263 4.809 1.00 0.00 O ATOM 195 CB GLU A 12 5.529 -0.913 6.559 1.00 0.00 C ATOM 196 CG GLU A 12 4.762 -1.729 7.590 1.00 0.00 C ATOM 197 CD GLU A 12 4.734 -1.072 8.952 1.00 0.00 C ATOM 198 OE1 GLU A 12 4.180 0.039 9.076 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.254 -1.680 9.913 1.00 0.00 O ATOM 0 H GLU A 12 6.472 0.222 4.587 1.00 0.00 H new ATOM 0 HA GLU A 12 6.312 -2.486 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.523 -0.693 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.024 0.042 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.740 -1.878 7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.216 -2.716 7.677 1.00 0.00 H new ATOM 206 N ASN A 13 3.506 -1.130 4.259 1.00 0.00 N ATOM 207 CA ASN A 13 2.144 -1.415 3.833 1.00 0.00 C ATOM 208 C ASN A 13 2.137 -2.396 2.664 1.00 0.00 C ATOM 209 O ASN A 13 1.555 -3.476 2.755 1.00 0.00 O ATOM 210 CB ASN A 13 1.429 -0.127 3.428 1.00 0.00 C ATOM 211 CG ASN A 13 -0.063 -0.190 3.678 1.00 0.00 C ATOM 212 OD1 ASN A 13 -0.654 -1.267 3.730 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.681 0.967 3.838 1.00 0.00 N ATOM 0 H ASN A 13 3.783 -0.154 4.157 1.00 0.00 H new ATOM 0 HA ASN A 13 1.617 -1.866 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.852 0.710 3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.609 0.068 2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.686 0.989 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.153 1.838 3.787 1.00 0.00 H new ATOM 220 N LEU A 14 2.819 -2.027 1.583 1.00 0.00 N ATOM 221 CA LEU A 14 2.860 -2.850 0.377 1.00 0.00 C ATOM 222 C LEU A 14 3.487 -4.210 0.666 1.00 0.00 C ATOM 223 O LEU A 14 3.022 -5.237 0.163 1.00 0.00 O ATOM 224 CB LEU A 14 3.646 -2.133 -0.725 1.00 0.00 C ATOM 225 CG LEU A 14 3.733 -2.880 -2.060 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.351 -3.069 -2.665 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.640 -2.134 -3.025 1.00 0.00 C ATOM 0 H LEU A 14 3.353 -1.160 1.517 1.00 0.00 H new ATOM 0 HA LEU A 14 1.836 -3.010 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.187 -1.160 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.658 -1.948 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 14 4.159 -3.866 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.438 -3.602 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.730 -3.646 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.893 -2.095 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.692 -2.677 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.240 -1.136 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.639 -2.054 -2.597 1.00 0.00 H new ATOM 239 N ASN A 15 4.527 -4.209 1.494 1.00 0.00 N ATOM 240 CA ASN A 15 5.240 -5.435 1.848 1.00 0.00 C ATOM 241 C ASN A 15 4.287 -6.444 2.479 1.00 0.00 C ATOM 242 O ASN A 15 4.398 -7.644 2.246 1.00 0.00 O ATOM 243 CB ASN A 15 6.381 -5.125 2.826 1.00 0.00 C ATOM 244 CG ASN A 15 7.472 -6.181 2.825 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.384 -7.191 3.526 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.531 -5.930 2.064 1.00 0.00 N ATOM 0 H ASN A 15 4.898 -3.368 1.936 1.00 0.00 H new ATOM 0 HA ASN A 15 5.656 -5.862 0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.818 -4.160 2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.973 -5.034 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.312 -6.586 2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.563 -5.082 1.499 1.00 0.00 H new ATOM 253 N SER A 16 3.331 -5.943 3.253 1.00 0.00 N ATOM 254 CA SER A 16 2.381 -6.796 3.955 1.00 0.00 C ATOM 255 C SER A 16 1.464 -7.534 2.978 1.00 0.00 C ATOM 256 O SER A 16 1.201 -8.726 3.144 1.00 0.00 O ATOM 257 CB SER A 16 1.555 -5.962 4.935 1.00 0.00 C ATOM 258 OG SER A 16 2.391 -5.308 5.878 1.00 0.00 O ATOM 0 H SER A 16 3.194 -4.945 3.410 1.00 0.00 H new ATOM 0 HA SER A 16 2.945 -7.546 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.972 -5.222 4.387 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.846 -6.604 5.457 1.00 0.00 H new ATOM 0 HG SER A 16 2.898 -4.599 5.430 1.00 0.00 H new ATOM 264 N TYR A 17 0.989 -6.831 1.950 1.00 0.00 N ATOM 265 CA TYR A 17 0.120 -7.445 0.947 1.00 0.00 C ATOM 266 C TYR A 17 0.890 -8.511 0.175 1.00 0.00 C ATOM 267 O TYR A 17 0.377 -9.601 -0.088 1.00 0.00 O ATOM 268 CB TYR A 17 -0.429 -6.401 -0.036 1.00 0.00 C ATOM 269 CG TYR A 17 -1.231 -5.289 0.609 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.528 -5.506 1.060 1.00 0.00 C ATOM 271 CD2 TYR A 17 -0.689 -4.022 0.759 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.257 -4.488 1.646 1.00 0.00 C ATOM 273 CE2 TYR A 17 -1.411 -3.001 1.343 1.00 0.00 C ATOM 274 CZ TYR A 17 -2.693 -3.238 1.784 1.00 0.00 C ATOM 275 OH TYR A 17 -3.415 -2.219 2.366 1.00 0.00 O ATOM 0 H TYR A 17 1.189 -5.844 1.791 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.722 -7.900 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.406 -5.960 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.057 -6.906 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.973 -6.484 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.316 -3.830 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.263 -4.671 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.972 -2.020 1.453 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.073 -1.356 2.053 1.00 0.00 H new ATOM 285 N ILE A 18 2.129 -8.185 -0.162 1.00 0.00 N ATOM 286 CA ILE A 18 2.997 -9.087 -0.910 1.00 0.00 C ATOM 287 C ILE A 18 3.365 -10.317 -0.078 1.00 0.00 C ATOM 288 O ILE A 18 3.402 -11.436 -0.587 1.00 0.00 O ATOM 289 CB ILE A 18 4.287 -8.354 -1.357 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.930 -7.141 -2.221 1.00 0.00 C ATOM 291 CG2 ILE A 18 5.214 -9.291 -2.122 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.108 -6.239 -2.522 1.00 0.00 C ATOM 0 H ILE A 18 2.561 -7.292 0.073 1.00 0.00 H new ATOM 0 HA ILE A 18 2.448 -9.417 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 18 4.812 -8.014 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.501 -7.489 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.159 -6.560 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.111 -8.750 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.493 -10.129 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.702 -9.666 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.778 -5.402 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.524 -5.860 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.872 -6.804 -3.057 1.00 0.00 H new ATOM 304 N ALA A 19 3.614 -10.104 1.209 1.00 0.00 N ATOM 305 CA ALA A 19 4.023 -11.180 2.102 1.00 0.00 C ATOM 306 C ALA A 19 2.894 -12.178 2.350 1.00 0.00 C ATOM 307 O ALA A 19 3.146 -13.360 2.601 1.00 0.00 O ATOM 308 CB ALA A 19 4.516 -10.602 3.419 1.00 0.00 C ATOM 0 H ALA A 19 3.539 -9.191 1.658 1.00 0.00 H new ATOM 0 HA ALA A 19 4.835 -11.723 1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.820 -11.413 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.367 -9.947 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.715 -10.031 3.888 1.00 0.00 H new ATOM 314 N LYS A 20 1.651 -11.710 2.294 1.00 0.00 N ATOM 315 CA LYS A 20 0.511 -12.593 2.511 1.00 0.00 C ATOM 316 C LYS A 20 0.180 -13.357 1.238 1.00 0.00 C ATOM 317 O LYS A 20 -0.254 -14.507 1.285 1.00 0.00 O ATOM 318 CB LYS A 20 -0.718 -11.811 2.977 1.00 0.00 C ATOM 319 CG LYS A 20 -1.798 -12.706 3.568 1.00 0.00 C ATOM 320 CD LYS A 20 -3.028 -11.924 4.002 1.00 0.00 C ATOM 321 CE LYS A 20 -4.055 -12.849 4.636 1.00 0.00 C ATOM 322 NZ LYS A 20 -5.300 -12.135 5.030 1.00 0.00 N ATOM 0 H LYS A 20 1.409 -10.738 2.103 1.00 0.00 H new ATOM 0 HA LYS A 20 0.786 -13.300 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.414 -11.076 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.132 -11.258 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.089 -13.455 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.392 -13.243 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.741 -11.149 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.467 -11.420 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.303 -13.646 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.618 -13.323 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.967 -12.809 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.070 -11.392 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.734 -11.704 4.189 1.00 0.00 H new ATOM 336 N SER A 21 0.387 -12.706 0.108 1.00 0.00 N ATOM 337 CA SER A 21 0.120 -13.304 -1.187 1.00 0.00 C ATOM 338 C SER A 21 1.076 -14.465 -1.469 1.00 0.00 C ATOM 339 O SER A 21 2.236 -14.441 -1.057 1.00 0.00 O ATOM 340 CB SER A 21 0.249 -12.234 -2.270 1.00 0.00 C ATOM 341 OG SER A 21 -0.666 -11.170 -2.047 1.00 0.00 O ATOM 0 H SER A 21 0.744 -11.751 0.062 1.00 0.00 H new ATOM 0 HA SER A 21 -0.893 -13.705 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.267 -11.846 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.065 -12.678 -3.248 1.00 0.00 H new ATOM 0 HG SER A 21 -0.328 -10.592 -1.331 1.00 0.00 H new ATOM 347 N GLU A 22 0.573 -15.487 -2.152 1.00 0.00 N ATOM 348 CA GLU A 22 1.390 -16.636 -2.526 1.00 0.00 C ATOM 349 C GLU A 22 2.298 -16.278 -3.695 1.00 0.00 C ATOM 350 O GLU A 22 3.343 -16.900 -3.904 1.00 0.00 O ATOM 351 CB GLU A 22 0.509 -17.822 -2.919 1.00 0.00 C ATOM 352 CG GLU A 22 -0.492 -18.228 -1.856 1.00 0.00 C ATOM 353 CD GLU A 22 -1.298 -19.439 -2.270 1.00 0.00 C ATOM 354 OE1 GLU A 22 -1.958 -19.386 -3.329 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.278 -20.451 -1.539 1.00 0.00 O ATOM 0 H GLU A 22 -0.398 -15.544 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 22 1.996 -16.913 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.029 -17.574 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.148 -18.676 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.034 -18.443 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.166 -17.395 -1.656 1.00 0.00 H new ATOM 362 N LYS A 23 1.883 -15.276 -4.462 1.00 0.00 N ATOM 363 CA LYS A 23 2.641 -14.830 -5.614 1.00 0.00 C ATOM 364 C LYS A 23 3.832 -13.986 -5.179 1.00 0.00 C ATOM 365 O LYS A 23 3.706 -13.105 -4.329 1.00 0.00 O ATOM 366 CB LYS A 23 1.737 -14.047 -6.567 1.00 0.00 C ATOM 367 CG LYS A 23 1.113 -14.901 -7.666 1.00 0.00 C ATOM 368 CD LYS A 23 0.359 -16.098 -7.102 1.00 0.00 C ATOM 369 CE LYS A 23 -0.217 -16.975 -8.205 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.838 -18.210 -7.656 1.00 0.00 N ATOM 0 H LYS A 23 1.020 -14.757 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 23 3.024 -15.704 -6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.941 -13.574 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.317 -13.247 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.431 -14.289 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.894 -15.250 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.030 -16.690 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.447 -15.749 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.962 -16.411 -8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.573 -17.245 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.220 -18.783 -8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.121 -18.760 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.608 -17.952 -7.007 1.00 0.00 H new ATOM 384 N THR A 24 4.981 -14.272 -5.768 1.00 0.00 N ATOM 385 CA THR A 24 6.229 -13.645 -5.373 1.00 0.00 C ATOM 386 C THR A 24 6.400 -12.277 -6.013 1.00 0.00 C ATOM 387 O THR A 24 5.567 -11.841 -6.814 1.00 0.00 O ATOM 388 CB THR A 24 7.415 -14.533 -5.777 1.00 0.00 C ATOM 389 OG1 THR A 24 7.393 -14.746 -7.196 1.00 0.00 O ATOM 390 CG2 THR A 24 7.354 -15.868 -5.050 1.00 0.00 C ATOM 0 H THR A 24 5.074 -14.943 -6.531 1.00 0.00 H new ATOM 0 HA THR A 24 6.201 -13.520 -4.291 1.00 0.00 H new ATOM 0 HB THR A 24 8.342 -14.032 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.151 -15.311 -7.454 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.202 -16.484 -5.349 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.390 -15.698 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.426 -16.380 -5.306 1.00 0.00 H new ATOM 398 N GLN A 25 7.494 -11.612 -5.656 1.00 0.00 N ATOM 399 CA GLN A 25 7.870 -10.349 -6.270 1.00 0.00 C ATOM 400 C GLN A 25 7.960 -10.525 -7.774 1.00 0.00 C ATOM 401 O GLN A 25 7.578 -9.647 -8.548 1.00 0.00 O ATOM 402 CB GLN A 25 9.227 -9.890 -5.737 1.00 0.00 C ATOM 403 CG GLN A 25 9.264 -9.659 -4.236 1.00 0.00 C ATOM 404 CD GLN A 25 10.661 -9.344 -3.736 1.00 0.00 C ATOM 405 OE1 GLN A 25 11.428 -10.244 -3.396 1.00 0.00 O ATOM 406 NE2 GLN A 25 11.001 -8.065 -3.688 1.00 0.00 N ATOM 0 H GLN A 25 8.141 -11.934 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 25 7.116 -9.600 -6.029 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.977 -10.637 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.509 -8.966 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.595 -8.837 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.889 -10.546 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.335 -7.349 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.929 -7.796 -3.360 1.00 0.00 H new ATOM 415 N LEU A 26 8.456 -11.688 -8.165 1.00 0.00 N ATOM 416 CA LEU A 26 8.632 -12.030 -9.560 1.00 0.00 C ATOM 417 C LEU A 26 7.283 -12.154 -10.259 1.00 0.00 C ATOM 418 O LEU A 26 7.059 -11.535 -11.293 1.00 0.00 O ATOM 419 CB LEU A 26 9.398 -13.349 -9.663 1.00 0.00 C ATOM 420 CG LEU A 26 10.449 -13.406 -10.765 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.281 -14.670 -10.638 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.808 -13.332 -12.144 1.00 0.00 C ATOM 0 H LEU A 26 8.748 -12.421 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 26 9.198 -11.238 -10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.886 -13.543 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.682 -14.155 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 26 11.102 -12.541 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.027 -14.696 -11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.781 -14.680 -9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.633 -15.542 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.584 -13.375 -12.909 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.124 -14.171 -12.273 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.256 -12.397 -12.239 1.00 0.00 H new ATOM 434 N GLU A 27 6.379 -12.924 -9.663 1.00 0.00 N ATOM 435 CA GLU A 27 5.084 -13.204 -10.258 1.00 0.00 C ATOM 436 C GLU A 27 4.237 -11.941 -10.394 1.00 0.00 C ATOM 437 O GLU A 27 3.513 -11.769 -11.378 1.00 0.00 O ATOM 438 CB GLU A 27 4.358 -14.244 -9.408 1.00 0.00 C ATOM 439 CG GLU A 27 5.082 -15.580 -9.337 1.00 0.00 C ATOM 440 CD GLU A 27 5.180 -16.269 -10.684 1.00 0.00 C ATOM 441 OE1 GLU A 27 6.089 -15.935 -11.468 1.00 0.00 O ATOM 442 OE2 GLU A 27 4.347 -17.159 -10.956 1.00 0.00 O ATOM 0 H GLU A 27 6.526 -13.369 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 27 5.243 -13.593 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.233 -13.853 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.359 -14.402 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.085 -15.423 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.561 -16.233 -8.637 1.00 0.00 H new ATOM 449 N ILE A 28 4.330 -11.056 -9.412 1.00 0.00 N ATOM 450 CA ILE A 28 3.596 -9.802 -9.458 1.00 0.00 C ATOM 451 C ILE A 28 4.148 -8.905 -10.563 1.00 0.00 C ATOM 452 O ILE A 28 3.395 -8.397 -11.397 1.00 0.00 O ATOM 453 CB ILE A 28 3.646 -9.056 -8.108 1.00 0.00 C ATOM 454 CG1 ILE A 28 3.064 -9.935 -6.998 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.879 -7.743 -8.203 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.140 -9.313 -5.619 1.00 0.00 C ATOM 0 H ILE A 28 4.904 -11.183 -8.578 1.00 0.00 H new ATOM 0 HA ILE A 28 2.554 -10.044 -9.670 1.00 0.00 H new ATOM 0 HB ILE A 28 4.686 -8.834 -7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.022 -10.154 -7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.595 -10.887 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.922 -7.226 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.326 -7.115 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.839 -7.947 -8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.708 -9.996 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.182 -9.120 -5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.585 -8.375 -5.612 1.00 0.00 H new ATOM 468 N ALA A 29 5.469 -8.740 -10.583 1.00 0.00 N ATOM 469 CA ALA A 29 6.130 -7.921 -11.595 1.00 0.00 C ATOM 470 C ALA A 29 5.928 -8.510 -12.988 1.00 0.00 C ATOM 471 O ALA A 29 5.783 -7.780 -13.967 1.00 0.00 O ATOM 472 CB ALA A 29 7.612 -7.800 -11.283 1.00 0.00 C ATOM 0 H ALA A 29 6.104 -9.165 -9.907 1.00 0.00 H new ATOM 0 HA ALA A 29 5.683 -6.927 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.095 -7.187 -12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.741 -7.334 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.064 -8.792 -11.275 1.00 0.00 H new ATOM 478 N LYS A 30 5.913 -9.837 -13.051 1.00 0.00 N ATOM 479 CA LYS A 30 5.700 -10.581 -14.291 1.00 0.00 C ATOM 480 C LYS A 30 4.375 -10.200 -14.951 1.00 0.00 C ATOM 481 O LYS A 30 4.288 -10.081 -16.177 1.00 0.00 O ATOM 482 CB LYS A 30 5.718 -12.078 -13.967 1.00 0.00 C ATOM 483 CG LYS A 30 5.475 -13.012 -15.140 1.00 0.00 C ATOM 484 CD LYS A 30 5.407 -14.449 -14.653 1.00 0.00 C ATOM 485 CE LYS A 30 5.139 -15.429 -15.780 1.00 0.00 C ATOM 486 NZ LYS A 30 5.045 -16.820 -15.272 1.00 0.00 N ATOM 0 H LYS A 30 6.050 -10.434 -12.235 1.00 0.00 H new ATOM 0 HA LYS A 30 6.495 -10.335 -14.995 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.684 -12.323 -13.526 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.962 -12.275 -13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.545 -12.745 -15.642 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.275 -12.905 -15.873 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.346 -14.709 -14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.622 -14.539 -13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.212 -15.161 -16.286 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.936 -15.363 -16.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.861 -17.467 -16.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.939 -17.082 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.268 -16.886 -14.584 1.00 0.00 H new ATOM 500 N SER A 31 3.346 -10.001 -14.135 1.00 0.00 N ATOM 501 CA SER A 31 2.027 -9.656 -14.642 1.00 0.00 C ATOM 502 C SER A 31 1.950 -8.172 -15.001 1.00 0.00 C ATOM 503 O SER A 31 1.142 -7.773 -15.841 1.00 0.00 O ATOM 504 CB SER A 31 0.954 -10.014 -13.607 1.00 0.00 C ATOM 505 OG SER A 31 -0.351 -9.865 -14.142 1.00 0.00 O ATOM 0 H SER A 31 3.402 -10.073 -13.119 1.00 0.00 H new ATOM 0 HA SER A 31 1.847 -10.232 -15.550 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.097 -11.042 -13.273 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.065 -9.376 -12.730 1.00 0.00 H new ATOM 0 HG SER A 31 -1.013 -10.102 -13.460 1.00 0.00 H new ATOM 511 N ILE A 32 2.790 -7.362 -14.367 1.00 0.00 N ATOM 512 CA ILE A 32 2.810 -5.925 -14.630 1.00 0.00 C ATOM 513 C ILE A 32 3.643 -5.616 -15.874 1.00 0.00 C ATOM 514 O ILE A 32 3.230 -4.833 -16.731 1.00 0.00 O ATOM 515 CB ILE A 32 3.368 -5.132 -13.424 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.530 -5.409 -12.173 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.391 -3.638 -13.724 1.00 0.00 C ATOM 518 CD1 ILE A 32 3.071 -4.764 -10.918 1.00 0.00 C ATOM 0 H ILE A 32 3.465 -7.673 -13.669 1.00 0.00 H new ATOM 0 HA ILE A 32 1.779 -5.614 -14.798 1.00 0.00 H new ATOM 0 HB ILE A 32 4.391 -5.461 -13.242 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.513 -5.054 -12.343 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.470 -6.486 -12.019 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.787 -3.100 -12.863 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.024 -3.451 -14.591 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.378 -3.293 -13.933 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.423 -5.007 -10.076 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.076 -5.137 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.105 -3.683 -11.050 1.00 0.00 H new ATOM 530 N GLY A 33 4.807 -6.242 -15.972 1.00 0.00 N ATOM 531 CA GLY A 33 5.677 -6.015 -17.111 1.00 0.00 C ATOM 532 C GLY A 33 7.007 -5.416 -16.712 1.00 0.00 C ATOM 533 O GLY A 33 7.831 -5.092 -17.567 1.00 0.00 O ATOM 0 H GLY A 33 5.166 -6.904 -15.284 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.848 -6.959 -17.628 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.180 -5.350 -17.817 1.00 0.00 H new ATOM 537 N VAL A 34 7.219 -5.268 -15.415 1.00 0.00 N ATOM 538 CA VAL A 34 8.468 -4.721 -14.912 1.00 0.00 C ATOM 539 C VAL A 34 9.380 -5.843 -14.434 1.00 0.00 C ATOM 540 O VAL A 34 8.910 -6.933 -14.102 1.00 0.00 O ATOM 541 CB VAL A 34 8.241 -3.713 -13.763 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.484 -2.490 -14.262 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.496 -4.364 -12.603 1.00 0.00 C ATOM 0 H VAL A 34 6.544 -5.518 -14.692 1.00 0.00 H new ATOM 0 HA VAL A 34 8.940 -4.187 -15.737 1.00 0.00 H new ATOM 0 HB VAL A 34 9.218 -3.392 -13.402 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.335 -1.793 -13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.059 -2.003 -15.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.516 -2.798 -14.657 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.350 -3.632 -11.808 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.527 -4.723 -12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.078 -5.203 -12.221 1.00 0.00 H new ATOM 553 N SER A 35 10.676 -5.581 -14.413 1.00 0.00 N ATOM 554 CA SER A 35 11.646 -6.576 -13.980 1.00 0.00 C ATOM 555 C SER A 35 11.531 -6.828 -12.473 1.00 0.00 C ATOM 556 O SER A 35 11.161 -5.928 -11.714 1.00 0.00 O ATOM 557 CB SER A 35 13.057 -6.106 -14.338 1.00 0.00 C ATOM 558 OG SER A 35 13.140 -5.765 -15.713 1.00 0.00 O ATOM 0 H SER A 35 11.082 -4.688 -14.691 1.00 0.00 H new ATOM 0 HA SER A 35 11.440 -7.515 -14.494 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.324 -5.243 -13.728 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.776 -6.892 -14.110 1.00 0.00 H new ATOM 0 HG SER A 35 14.049 -5.465 -15.921 1.00 0.00 H new ATOM 564 N PRO A 36 11.834 -8.063 -12.025 1.00 0.00 N ATOM 565 CA PRO A 36 11.788 -8.426 -10.605 1.00 0.00 C ATOM 566 C PRO A 36 12.624 -7.485 -9.740 1.00 0.00 C ATOM 567 O PRO A 36 12.247 -7.168 -8.615 1.00 0.00 O ATOM 568 CB PRO A 36 12.367 -9.843 -10.573 1.00 0.00 C ATOM 569 CG PRO A 36 12.130 -10.382 -11.939 1.00 0.00 C ATOM 570 CD PRO A 36 12.226 -9.205 -12.871 1.00 0.00 C ATOM 0 HA PRO A 36 10.777 -8.361 -10.202 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.430 -9.831 -10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.875 -10.454 -9.816 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.869 -11.142 -12.192 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.150 -10.855 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.236 -9.085 -13.264 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.562 -9.316 -13.728 1.00 0.00 H new ATOM 578 N GLN A 37 13.750 -7.028 -10.285 1.00 0.00 N ATOM 579 CA GLN A 37 14.623 -6.097 -9.579 1.00 0.00 C ATOM 580 C GLN A 37 13.946 -4.746 -9.373 1.00 0.00 C ATOM 581 O GLN A 37 14.193 -4.066 -8.376 1.00 0.00 O ATOM 582 CB GLN A 37 15.926 -5.902 -10.347 1.00 0.00 C ATOM 583 CG GLN A 37 16.833 -7.116 -10.316 1.00 0.00 C ATOM 584 CD GLN A 37 18.113 -6.904 -11.097 1.00 0.00 C ATOM 585 OE1 GLN A 37 19.120 -6.452 -10.555 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.077 -7.224 -12.377 1.00 0.00 N ATOM 0 H GLN A 37 14.078 -7.289 -11.215 1.00 0.00 H new ATOM 0 HA GLN A 37 14.839 -6.528 -8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.694 -5.658 -11.384 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.460 -5.048 -9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.078 -7.356 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.300 -7.974 -10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.220 -7.596 -12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.906 -7.099 -12.957 1.00 0.00 H new ATOM 595 N THR A 38 13.082 -4.372 -10.307 1.00 0.00 N ATOM 596 CA THR A 38 12.392 -3.096 -10.240 1.00 0.00 C ATOM 597 C THR A 38 11.344 -3.160 -9.142 1.00 0.00 C ATOM 598 O THR A 38 11.224 -2.262 -8.312 1.00 0.00 O ATOM 599 CB THR A 38 11.707 -2.764 -11.582 1.00 0.00 C ATOM 600 OG1 THR A 38 12.614 -3.009 -12.667 1.00 0.00 O ATOM 601 CG2 THR A 38 11.244 -1.314 -11.620 1.00 0.00 C ATOM 0 H THR A 38 12.843 -4.938 -11.121 1.00 0.00 H new ATOM 0 HA THR A 38 13.121 -2.315 -10.026 1.00 0.00 H new ATOM 0 HB THR A 38 10.832 -3.406 -11.683 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.173 -2.798 -13.516 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.765 -1.110 -12.578 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.532 -1.138 -10.814 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.103 -0.654 -11.496 1.00 0.00 H new ATOM 609 N PHE A 39 10.616 -4.264 -9.132 1.00 0.00 N ATOM 610 CA PHE A 39 9.605 -4.511 -8.125 1.00 0.00 C ATOM 611 C PHE A 39 10.253 -4.669 -6.755 1.00 0.00 C ATOM 612 O PHE A 39 9.692 -4.269 -5.735 1.00 0.00 O ATOM 613 CB PHE A 39 8.827 -5.771 -8.483 1.00 0.00 C ATOM 614 CG PHE A 39 7.597 -5.970 -7.647 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.432 -5.275 -7.923 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.613 -6.847 -6.577 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.303 -5.452 -7.145 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.491 -7.029 -5.795 1.00 0.00 C ATOM 619 CZ PHE A 39 5.335 -6.331 -6.079 1.00 0.00 C ATOM 0 H PHE A 39 10.711 -5.010 -9.821 1.00 0.00 H new ATOM 0 HA PHE A 39 8.921 -3.663 -8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.540 -5.725 -9.533 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.479 -6.637 -8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.405 -4.587 -8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.515 -7.396 -6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.399 -4.905 -7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.517 -7.716 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.455 -6.472 -5.468 1.00 0.00 H new ATOM 629 N ASN A 40 11.444 -5.257 -6.749 1.00 0.00 N ATOM 630 CA ASN A 40 12.189 -5.482 -5.519 1.00 0.00 C ATOM 631 C ASN A 40 12.445 -4.170 -4.789 1.00 0.00 C ATOM 632 O ASN A 40 12.266 -4.089 -3.577 1.00 0.00 O ATOM 633 CB ASN A 40 13.523 -6.170 -5.814 1.00 0.00 C ATOM 634 CG ASN A 40 14.282 -6.523 -4.552 1.00 0.00 C ATOM 635 OD1 ASN A 40 13.690 -6.909 -3.541 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.593 -6.372 -4.595 1.00 0.00 N ATOM 0 H ASN A 40 11.916 -5.588 -7.590 1.00 0.00 H new ATOM 0 HA ASN A 40 11.586 -6.128 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.341 -7.077 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.137 -5.516 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.157 -6.577 -3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.041 -6.050 -5.453 1.00 0.00 H new ATOM 643 N THR A 41 12.838 -3.136 -5.531 1.00 0.00 N ATOM 644 CA THR A 41 13.155 -1.849 -4.924 1.00 0.00 C ATOM 645 C THR A 41 11.926 -1.230 -4.263 1.00 0.00 C ATOM 646 O THR A 41 12.039 -0.525 -3.263 1.00 0.00 O ATOM 647 CB THR A 41 13.751 -0.854 -5.944 1.00 0.00 C ATOM 648 OG1 THR A 41 12.806 -0.561 -6.981 1.00 0.00 O ATOM 649 CG2 THR A 41 15.025 -1.410 -6.560 1.00 0.00 C ATOM 0 H THR A 41 12.943 -3.165 -6.545 1.00 0.00 H new ATOM 0 HA THR A 41 13.909 -2.047 -4.162 1.00 0.00 H new ATOM 0 HB THR A 41 13.988 0.066 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.470 -1.398 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.427 -0.692 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.760 -1.591 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.803 -2.346 -7.072 1.00 0.00 H new ATOM 657 N TRP A 42 10.750 -1.507 -4.815 1.00 0.00 N ATOM 658 CA TRP A 42 9.507 -1.008 -4.242 1.00 0.00 C ATOM 659 C TRP A 42 9.163 -1.783 -2.974 1.00 0.00 C ATOM 660 O TRP A 42 8.784 -1.203 -1.960 1.00 0.00 O ATOM 661 CB TRP A 42 8.359 -1.126 -5.247 1.00 0.00 C ATOM 662 CG TRP A 42 8.619 -0.441 -6.554 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.441 0.628 -6.780 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.034 -0.769 -7.818 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.410 0.976 -8.108 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.551 0.133 -8.765 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.124 -1.741 -8.240 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.187 0.094 -10.109 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.763 -1.780 -9.574 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.294 -0.870 -10.495 1.00 0.00 C ATOM 0 H TRP A 42 10.632 -2.072 -5.656 1.00 0.00 H new ATOM 0 HA TRP A 42 9.646 0.044 -3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.162 -2.181 -5.435 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.456 -0.707 -4.802 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.029 1.126 -6.024 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.939 1.736 -8.535 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.710 -2.449 -7.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.594 0.798 -10.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.059 -2.526 -9.911 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.994 -0.929 -11.531 1.00 0.00 H new ATOM 681 N CYS A 43 9.321 -3.098 -3.045 1.00 0.00 N ATOM 682 CA CYS A 43 9.017 -3.977 -1.922 1.00 0.00 C ATOM 683 C CYS A 43 9.999 -3.745 -0.778 1.00 0.00 C ATOM 684 O CYS A 43 9.630 -3.817 0.396 1.00 0.00 O ATOM 685 CB CYS A 43 9.064 -5.437 -2.386 1.00 0.00 C ATOM 686 SG CYS A 43 8.540 -6.642 -1.144 1.00 0.00 S ATOM 0 H CYS A 43 9.661 -3.583 -3.875 1.00 0.00 H new ATOM 0 HA CYS A 43 8.015 -3.753 -1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.431 -5.545 -3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.082 -5.673 -2.695 1.00 0.00 H new ATOM 0 HG CYS A 43 8.617 -7.840 -1.642 1.00 0.00 H new ATOM 692 N LYS A 44 11.250 -3.477 -1.127 1.00 0.00 N ATOM 693 CA LYS A 44 12.270 -3.156 -0.151 1.00 0.00 C ATOM 694 C LYS A 44 12.090 -1.733 0.372 1.00 0.00 C ATOM 695 O LYS A 44 12.701 -1.344 1.365 1.00 0.00 O ATOM 696 CB LYS A 44 13.632 -3.314 -0.812 1.00 0.00 C ATOM 697 CG LYS A 44 14.638 -4.074 0.020 1.00 0.00 C ATOM 698 CD LYS A 44 15.274 -3.191 1.076 1.00 0.00 C ATOM 699 CE LYS A 44 16.195 -3.982 1.989 1.00 0.00 C ATOM 700 NZ LYS A 44 15.456 -5.005 2.775 1.00 0.00 N ATOM 0 H LYS A 44 11.581 -3.477 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 44 12.189 -3.831 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.504 -3.827 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.033 -2.325 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.147 -4.920 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.413 -4.481 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.838 -2.394 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.494 -2.715 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.965 -4.470 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.704 -3.300 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.055 -5.343 3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.587 -4.584 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.208 -5.804 2.158 1.00 0.00 H new ATOM 714 N GLY A 45 11.239 -0.964 -0.293 1.00 0.00 N ATOM 715 CA GLY A 45 11.011 0.409 0.110 1.00 0.00 C ATOM 716 C GLY A 45 12.206 1.300 -0.155 1.00 0.00 C ATOM 717 O GLY A 45 12.536 2.163 0.653 1.00 0.00 O ATOM 0 H GLY A 45 10.702 -1.267 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.145 0.801 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.771 0.437 1.173 1.00 0.00 H new ATOM 721 N ILE A 46 12.864 1.080 -1.281 1.00 0.00 N ATOM 722 CA ILE A 46 14.012 1.885 -1.658 1.00 0.00 C ATOM 723 C ILE A 46 13.555 3.157 -2.364 1.00 0.00 C ATOM 724 O ILE A 46 14.067 4.249 -2.104 1.00 0.00 O ATOM 725 CB ILE A 46 14.975 1.096 -2.575 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.494 -0.147 -1.847 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.134 1.973 -3.032 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.361 -1.039 -2.710 1.00 0.00 C ATOM 0 H ILE A 46 12.622 0.349 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 46 14.547 2.149 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 46 14.425 0.780 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.066 0.166 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.645 -0.724 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 46 16.797 1.394 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 46 15.747 2.828 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.689 2.325 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.692 -1.899 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.786 -1.383 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.230 -0.478 -3.055 1.00 0.00 H new ATOM 740 N ALA A 47 12.574 3.012 -3.242 1.00 0.00 N ATOM 741 CA ALA A 47 12.068 4.133 -4.011 1.00 0.00 C ATOM 742 C ALA A 47 10.597 3.934 -4.345 1.00 0.00 C ATOM 743 O ALA A 47 10.114 2.803 -4.410 1.00 0.00 O ATOM 744 CB ALA A 47 12.883 4.302 -5.285 1.00 0.00 C ATOM 0 H ALA A 47 12.112 2.124 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 47 12.162 5.038 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.495 5.146 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.926 4.486 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.812 3.395 -5.885 1.00 0.00 H new ATOM 750 N ILE A 48 9.893 5.038 -4.544 1.00 0.00 N ATOM 751 CA ILE A 48 8.494 4.999 -4.940 1.00 0.00 C ATOM 752 C ILE A 48 8.371 5.315 -6.427 1.00 0.00 C ATOM 753 O ILE A 48 8.901 6.326 -6.899 1.00 0.00 O ATOM 754 CB ILE A 48 7.647 5.993 -4.112 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.666 5.586 -2.638 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.213 6.046 -4.626 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.018 6.600 -1.717 1.00 0.00 C ATOM 0 H ILE A 48 10.272 5.979 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 48 8.113 3.996 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 48 8.080 6.988 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.155 4.630 -2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.699 5.433 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.638 6.752 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.211 6.368 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.763 5.056 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.069 6.243 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.543 7.552 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.975 6.736 -2.002 1.00 0.00 H new ATOM 769 N PRO A 49 7.687 4.442 -7.178 1.00 0.00 N ATOM 770 CA PRO A 49 7.521 4.580 -8.632 1.00 0.00 C ATOM 771 C PRO A 49 6.642 5.768 -9.023 1.00 0.00 C ATOM 772 O PRO A 49 6.128 6.495 -8.169 1.00 0.00 O ATOM 773 CB PRO A 49 6.843 3.267 -9.033 1.00 0.00 C ATOM 774 CG PRO A 49 6.138 2.819 -7.802 1.00 0.00 C ATOM 775 CD PRO A 49 7.020 3.233 -6.661 1.00 0.00 C ATOM 0 HA PRO A 49 8.474 4.763 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.146 3.416 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.573 2.528 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.153 3.280 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.985 1.740 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.443 3.444 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.738 2.455 -6.403 1.00 0.00 H new ATOM 783 N ARG A 50 6.467 5.957 -10.324 1.00 0.00 N ATOM 784 CA ARG A 50 5.634 7.037 -10.829 1.00 0.00 C ATOM 785 C ARG A 50 4.166 6.656 -10.739 1.00 0.00 C ATOM 786 O ARG A 50 3.836 5.473 -10.634 1.00 0.00 O ATOM 787 CB ARG A 50 5.999 7.370 -12.277 1.00 0.00 C ATOM 788 CG ARG A 50 7.422 7.872 -12.445 1.00 0.00 C ATOM 789 CD ARG A 50 7.684 9.092 -11.577 1.00 0.00 C ATOM 790 NE ARG A 50 9.034 9.616 -11.758 1.00 0.00 N ATOM 791 CZ ARG A 50 9.717 10.256 -10.809 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.211 10.393 -9.587 1.00 0.00 N ATOM 793 NH2 ARG A 50 10.920 10.745 -11.072 1.00 0.00 N ATOM 0 H ARG A 50 6.891 5.376 -11.047 1.00 0.00 H new ATOM 0 HA ARG A 50 5.810 7.920 -10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.862 6.480 -12.891 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.309 8.126 -12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.123 7.079 -12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.600 8.122 -13.491 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.959 9.869 -11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.535 8.830 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 50 9.482 9.485 -12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.293 10.007 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.741 10.884 -8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.324 10.632 -12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.442 11.235 -10.345 1.00 0.00 H new ATOM 807 N MET A 51 3.295 7.661 -10.800 1.00 0.00 N ATOM 808 CA MET A 51 1.852 7.459 -10.636 1.00 0.00 C ATOM 809 C MET A 51 1.308 6.398 -11.592 1.00 0.00 C ATOM 810 O MET A 51 0.391 5.659 -11.245 1.00 0.00 O ATOM 811 CB MET A 51 1.090 8.782 -10.830 1.00 0.00 C ATOM 812 CG MET A 51 1.285 9.421 -12.198 1.00 0.00 C ATOM 813 SD MET A 51 0.348 10.952 -12.392 1.00 0.00 S ATOM 814 CE MET A 51 1.039 11.943 -11.069 1.00 0.00 C ATOM 0 H MET A 51 3.564 8.631 -10.963 1.00 0.00 H new ATOM 0 HA MET A 51 1.695 7.102 -9.618 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.026 8.602 -10.674 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.409 9.488 -10.063 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.345 9.626 -12.351 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.983 8.714 -12.971 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.827 12.996 -11.254 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.593 11.645 -10.120 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.118 11.792 -11.027 1.00 0.00 H new ATOM 824 N GLY A 52 1.887 6.316 -12.788 1.00 0.00 N ATOM 825 CA GLY A 52 1.432 5.344 -13.767 1.00 0.00 C ATOM 826 C GLY A 52 1.627 3.911 -13.306 1.00 0.00 C ATOM 827 O GLY A 52 0.787 3.049 -13.565 1.00 0.00 O ATOM 0 H GLY A 52 2.661 6.904 -13.096 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.376 5.513 -13.977 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.971 5.497 -14.702 1.00 0.00 H new ATOM 831 N LYS A 53 2.725 3.655 -12.610 1.00 0.00 N ATOM 832 CA LYS A 53 3.022 2.313 -12.138 1.00 0.00 C ATOM 833 C LYS A 53 2.415 2.073 -10.764 1.00 0.00 C ATOM 834 O LYS A 53 2.098 0.939 -10.409 1.00 0.00 O ATOM 835 CB LYS A 53 4.529 2.068 -12.126 1.00 0.00 C ATOM 836 CG LYS A 53 5.112 1.925 -13.522 1.00 0.00 C ATOM 837 CD LYS A 53 6.611 1.681 -13.493 1.00 0.00 C ATOM 838 CE LYS A 53 7.152 1.398 -14.887 1.00 0.00 C ATOM 839 NZ LYS A 53 6.814 2.478 -15.856 1.00 0.00 N ATOM 0 H LYS A 53 3.422 4.357 -12.361 1.00 0.00 H new ATOM 0 HA LYS A 53 2.570 1.600 -12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.023 2.894 -11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.741 1.165 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.621 1.099 -14.037 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.903 2.828 -14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.115 2.552 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.832 0.839 -12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.235 1.284 -14.837 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.747 0.452 -15.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.328 2.319 -16.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.791 2.471 -16.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.087 3.399 -15.458 1.00 0.00 H new ATOM 853 N VAL A 54 2.240 3.143 -9.994 1.00 0.00 N ATOM 854 CA VAL A 54 1.518 3.051 -8.730 1.00 0.00 C ATOM 855 C VAL A 54 0.070 2.654 -9.004 1.00 0.00 C ATOM 856 O VAL A 54 -0.515 1.829 -8.296 1.00 0.00 O ATOM 857 CB VAL A 54 1.553 4.384 -7.944 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.746 4.281 -6.655 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.989 4.788 -7.639 1.00 0.00 C ATOM 0 H VAL A 54 2.585 4.076 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 54 2.009 2.295 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 54 1.099 5.154 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.788 5.231 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.291 4.044 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.163 3.494 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.993 5.727 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.466 4.012 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.538 4.914 -8.572 1.00 0.00 H new ATOM 869 N GLN A 55 -0.489 3.234 -10.060 1.00 0.00 N ATOM 870 CA GLN A 55 -1.827 2.891 -10.515 1.00 0.00 C ATOM 871 C GLN A 55 -1.895 1.414 -10.890 1.00 0.00 C ATOM 872 O GLN A 55 -2.889 0.742 -10.614 1.00 0.00 O ATOM 873 CB GLN A 55 -2.213 3.764 -11.713 1.00 0.00 C ATOM 874 CG GLN A 55 -3.606 3.492 -12.265 1.00 0.00 C ATOM 875 CD GLN A 55 -4.704 3.769 -11.253 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.214 4.887 -11.164 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.090 2.754 -10.496 1.00 0.00 N ATOM 0 H GLN A 55 -0.029 3.951 -10.621 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.533 3.075 -9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.150 4.812 -11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.484 3.611 -12.509 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.769 4.109 -13.149 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.668 2.452 -12.586 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.644 1.843 -10.599 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.834 2.883 -9.810 1.00 0.00 H new ATOM 886 N ALA A 56 -0.830 0.919 -11.511 1.00 0.00 N ATOM 887 CA ALA A 56 -0.752 -0.481 -11.907 1.00 0.00 C ATOM 888 C ALA A 56 -0.740 -1.397 -10.686 1.00 0.00 C ATOM 889 O ALA A 56 -1.404 -2.435 -10.671 1.00 0.00 O ATOM 890 CB ALA A 56 0.480 -0.727 -12.766 1.00 0.00 C ATOM 0 H ALA A 56 -0.006 1.470 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.639 -0.712 -12.496 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.520 -1.778 -13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.428 -0.109 -13.662 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.375 -0.470 -12.200 1.00 0.00 H new ATOM 896 N LEU A 57 0.012 -0.998 -9.663 1.00 0.00 N ATOM 897 CA LEU A 57 0.071 -1.740 -8.412 1.00 0.00 C ATOM 898 C LEU A 57 -1.308 -1.801 -7.765 1.00 0.00 C ATOM 899 O LEU A 57 -1.784 -2.873 -7.386 1.00 0.00 O ATOM 900 CB LEU A 57 1.066 -1.079 -7.453 1.00 0.00 C ATOM 901 CG LEU A 57 2.521 -1.063 -7.925 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.387 -0.276 -6.954 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.043 -2.483 -8.067 1.00 0.00 C ATOM 0 H LEU A 57 0.592 -0.159 -9.679 1.00 0.00 H new ATOM 0 HA LEU A 57 0.404 -2.755 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.747 -0.051 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.018 -1.596 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 57 2.564 -0.575 -8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.419 -0.275 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.024 0.750 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.340 -0.738 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.079 -2.458 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.987 -2.989 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.438 -3.022 -8.796 1.00 0.00 H new ATOM 915 N ALA A 58 -1.954 -0.645 -7.660 1.00 0.00 N ATOM 916 CA ALA A 58 -3.283 -0.557 -7.070 1.00 0.00 C ATOM 917 C ALA A 58 -4.302 -1.345 -7.888 1.00 0.00 C ATOM 918 O ALA A 58 -5.247 -1.909 -7.341 1.00 0.00 O ATOM 919 CB ALA A 58 -3.709 0.898 -6.944 1.00 0.00 C ATOM 0 H ALA A 58 -1.576 0.248 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.242 -0.998 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.704 0.949 -6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.002 1.430 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.727 1.359 -7.932 1.00 0.00 H new ATOM 925 N ASP A 59 -4.098 -1.388 -9.195 1.00 0.00 N ATOM 926 CA ASP A 59 -4.992 -2.114 -10.092 1.00 0.00 C ATOM 927 C ASP A 59 -4.804 -3.617 -9.937 1.00 0.00 C ATOM 928 O ASP A 59 -5.773 -4.373 -9.918 1.00 0.00 O ATOM 929 CB ASP A 59 -4.733 -1.696 -11.542 1.00 0.00 C ATOM 930 CG ASP A 59 -5.683 -2.347 -12.529 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.814 -1.848 -12.689 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.292 -3.348 -13.166 1.00 0.00 O ATOM 0 H ASP A 59 -3.318 -0.927 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.021 -1.868 -9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.822 -0.613 -11.623 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.708 -1.953 -11.810 1.00 0.00 H new ATOM 937 N TYR A 60 -3.548 -4.037 -9.817 1.00 0.00 N ATOM 938 CA TYR A 60 -3.208 -5.447 -9.646 1.00 0.00 C ATOM 939 C TYR A 60 -3.844 -6.018 -8.383 1.00 0.00 C ATOM 940 O TYR A 60 -4.416 -7.107 -8.401 1.00 0.00 O ATOM 941 CB TYR A 60 -1.688 -5.614 -9.585 1.00 0.00 C ATOM 942 CG TYR A 60 -1.227 -7.046 -9.404 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.069 -7.889 -10.495 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.938 -7.550 -8.141 1.00 0.00 C ATOM 945 CE1 TYR A 60 -0.642 -9.195 -10.334 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.513 -8.853 -7.972 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.365 -9.672 -9.071 1.00 0.00 C ATOM 948 OH TYR A 60 0.062 -10.972 -8.905 1.00 0.00 O ATOM 0 H TYR A 60 -2.741 -3.414 -9.835 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.599 -5.996 -10.502 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.253 -5.217 -10.502 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.300 -5.013 -8.763 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.283 -7.519 -11.487 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.048 -6.911 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.526 -9.838 -11.194 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.297 -9.229 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 60 0.214 -11.147 -7.953 1.00 0.00 H new ATOM 958 N PHE A 61 -3.751 -5.267 -7.296 1.00 0.00 N ATOM 959 CA PHE A 61 -4.265 -5.724 -6.010 1.00 0.00 C ATOM 960 C PHE A 61 -5.737 -5.369 -5.846 1.00 0.00 C ATOM 961 O PHE A 61 -6.393 -5.834 -4.914 1.00 0.00 O ATOM 962 CB PHE A 61 -3.451 -5.117 -4.866 1.00 0.00 C ATOM 963 CG PHE A 61 -2.066 -5.691 -4.730 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.871 -6.912 -4.103 1.00 0.00 C ATOM 965 CD2 PHE A 61 -0.963 -5.008 -5.216 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.602 -7.441 -3.967 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.307 -5.535 -5.084 1.00 0.00 C ATOM 968 CZ PHE A 61 0.488 -6.750 -4.458 1.00 0.00 C ATOM 0 H PHE A 61 -3.326 -4.340 -7.277 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.171 -6.810 -5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.374 -4.041 -5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.989 -5.268 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.720 -7.456 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.098 -4.054 -5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.463 -8.394 -3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.158 -4.995 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.481 -7.161 -4.352 1.00 0.00 H new ATOM 978 N ASN A 62 -6.244 -4.557 -6.768 1.00 0.00 N ATOM 979 CA ASN A 62 -7.618 -4.055 -6.713 1.00 0.00 C ATOM 980 C ASN A 62 -7.843 -3.272 -5.421 1.00 0.00 C ATOM 981 O ASN A 62 -8.714 -3.595 -4.609 1.00 0.00 O ATOM 982 CB ASN A 62 -8.636 -5.199 -6.847 1.00 0.00 C ATOM 983 CG ASN A 62 -10.072 -4.705 -6.946 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.337 -3.617 -7.462 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.008 -5.510 -6.465 1.00 0.00 N ATOM 0 H ASN A 62 -5.716 -4.227 -7.576 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.769 -3.382 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.398 -5.789 -7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.544 -5.863 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.990 -5.237 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.747 -6.402 -6.046 1.00 0.00 H new ATOM 992 N ILE A 63 -7.028 -2.248 -5.235 1.00 0.00 N ATOM 993 CA ILE A 63 -7.103 -1.395 -4.059 1.00 0.00 C ATOM 994 C ILE A 63 -7.043 0.068 -4.475 1.00 0.00 C ATOM 995 O ILE A 63 -6.918 0.376 -5.661 1.00 0.00 O ATOM 996 CB ILE A 63 -5.955 -1.685 -3.064 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.596 -1.576 -3.765 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.129 -3.061 -2.436 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.412 -1.785 -2.843 1.00 0.00 C ATOM 0 H ILE A 63 -6.296 -1.984 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.049 -1.608 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.990 -0.940 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.553 -2.311 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.515 -0.593 -4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.313 -3.249 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.078 -3.100 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.121 -3.821 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.487 -1.693 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.429 -1.034 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.467 -2.779 -2.399 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.138 0.962 -3.505 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.067 2.390 -3.766 1.00 0.00 C ATOM 1013 C ASN A 64 -5.647 2.875 -3.529 1.00 0.00 C ATOM 1014 O ASN A 64 -4.826 2.145 -2.971 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.031 3.155 -2.850 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.446 2.611 -2.892 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.270 3.039 -3.699 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.730 1.660 -2.018 1.00 0.00 N ATOM 0 H ASN A 64 -7.265 0.721 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.353 2.573 -4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.661 3.112 -1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.043 4.206 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.664 1.251 -1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.015 1.336 -1.367 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.356 4.102 -3.938 1.00 0.00 N ATOM 1026 CA LYS A 65 -4.036 4.680 -3.715 1.00 0.00 C ATOM 1027 C LYS A 65 -3.783 4.850 -2.220 1.00 0.00 C ATOM 1028 O LYS A 65 -2.657 4.714 -1.744 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.902 6.031 -4.431 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.880 7.093 -3.942 1.00 0.00 C ATOM 1031 CD LYS A 65 -4.687 8.418 -4.663 1.00 0.00 C ATOM 1032 CE LYS A 65 -3.300 8.994 -4.425 1.00 0.00 C ATOM 1033 NZ LYS A 65 -3.127 10.304 -5.103 1.00 0.00 N ATOM 0 H LYS A 65 -6.011 4.714 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.291 4.000 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.885 6.401 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.051 5.880 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.901 6.743 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.749 7.241 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.843 8.276 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.439 9.130 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.134 9.113 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.548 8.294 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.170 10.667 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.261 10.185 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.829 10.979 -4.738 1.00 0.00 H new ATOM 1047 N SER A 66 -4.852 5.113 -1.484 1.00 0.00 N ATOM 1048 CA SER A 66 -4.763 5.349 -0.055 1.00 0.00 C ATOM 1049 C SER A 66 -4.507 4.051 0.713 1.00 0.00 C ATOM 1050 O SER A 66 -4.004 4.083 1.832 1.00 0.00 O ATOM 1051 CB SER A 66 -6.048 6.011 0.424 1.00 0.00 C ATOM 1052 OG SER A 66 -6.318 7.176 -0.342 1.00 0.00 O ATOM 0 H SER A 66 -5.799 5.168 -1.859 1.00 0.00 H new ATOM 0 HA SER A 66 -3.918 6.009 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.879 5.311 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.959 6.273 1.478 1.00 0.00 H new ATOM 0 HG SER A 66 -7.147 7.591 -0.025 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.826 2.913 0.096 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.632 1.605 0.734 1.00 0.00 C ATOM 1060 C ASP A 67 -3.155 1.320 0.976 1.00 0.00 C ATOM 1061 O ASP A 67 -2.804 0.506 1.826 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.229 0.473 -0.108 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.729 0.325 0.063 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.166 -0.228 1.095 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.480 0.743 -0.840 1.00 0.00 O ATOM 0 H ASP A 67 -5.220 2.867 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.151 1.646 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.006 0.655 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.745 -0.466 0.162 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.303 1.963 0.194 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.860 1.804 0.335 1.00 0.00 C ATOM 1072 C LEU A 68 -0.269 2.888 1.232 1.00 0.00 C ATOM 1073 O LEU A 68 0.826 2.731 1.769 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.188 1.844 -1.039 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.562 0.696 -1.980 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.112 0.868 -3.333 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.183 -0.640 -1.362 1.00 0.00 C ATOM 0 H LEU A 68 -2.585 2.603 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.674 0.836 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.442 2.787 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.893 1.840 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.641 0.714 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.167 0.041 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.207 1.809 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.194 0.877 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.455 -1.446 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.892 -0.665 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.713 -0.768 -0.418 1.00 0.00 H new ATOM 1089 N ILE A 69 -1.001 3.983 1.395 1.00 0.00 N ATOM 1090 CA ILE A 69 -0.474 5.156 2.080 1.00 0.00 C ATOM 1091 C ILE A 69 -0.866 5.192 3.561 1.00 0.00 C ATOM 1092 O ILE A 69 -0.129 5.736 4.388 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.945 6.458 1.385 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.505 6.459 -0.083 1.00 0.00 C ATOM 1095 CG2 ILE A 69 -0.399 7.687 2.102 1.00 0.00 C ATOM 1096 CD1 ILE A 69 -0.976 7.670 -0.861 1.00 0.00 C ATOM 0 H ILE A 69 -1.960 4.083 1.063 1.00 0.00 H new ATOM 0 HA ILE A 69 0.612 5.087 2.024 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.033 6.496 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.583 6.411 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.883 5.558 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.744 8.588 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.752 7.694 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.691 7.660 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.626 7.600 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.065 7.709 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.576 8.575 -0.403 1.00 0.00 H new ATOM 1108 N GLU A 70 -2.011 4.616 3.908 1.00 0.00 N ATOM 1109 CA GLU A 70 -2.505 4.707 5.267 1.00 0.00 C ATOM 1110 C GLU A 70 -1.641 3.926 6.256 1.00 0.00 C ATOM 1111 O GLU A 70 -1.090 2.867 5.940 1.00 0.00 O ATOM 1112 CB GLU A 70 -3.971 4.267 5.343 1.00 0.00 C ATOM 1113 CG GLU A 70 -4.302 2.937 4.670 1.00 0.00 C ATOM 1114 CD GLU A 70 -3.806 1.724 5.433 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -4.062 1.626 6.650 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -3.174 0.846 4.815 1.00 0.00 O ATOM 0 H GLU A 70 -2.606 4.087 3.271 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.444 5.755 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.257 4.202 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.588 5.044 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.383 2.861 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.867 2.928 3.670 1.00 0.00 H new ATOM 1123 N ASP A 71 -1.514 4.474 7.450 1.00 0.00 N ATOM 1124 CA ASP A 71 -0.791 3.811 8.521 1.00 0.00 C ATOM 1125 C ASP A 71 -1.783 3.198 9.497 1.00 0.00 C ATOM 1126 O ASP A 71 -2.924 3.642 9.595 1.00 0.00 O ATOM 1127 CB ASP A 71 0.145 4.786 9.240 1.00 0.00 C ATOM 1128 CG ASP A 71 0.984 4.102 10.303 1.00 0.00 C ATOM 1129 OD1 ASP A 71 1.646 3.091 9.984 1.00 0.00 O ATOM 1130 OD2 ASP A 71 0.969 4.552 11.464 1.00 0.00 O ATOM 0 H ASP A 71 -1.904 5.382 7.704 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.174 3.021 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.802 5.260 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.444 5.579 9.700 1.00 0.00 H new ATOM 1135 N LYS A 72 -1.353 2.183 10.224 1.00 0.00 N ATOM 1136 CA LYS A 72 -2.272 1.408 11.043 1.00 0.00 C ATOM 1137 C LYS A 72 -2.449 2.036 12.421 1.00 0.00 C ATOM 1138 O LYS A 72 -3.082 1.453 13.307 1.00 0.00 O ATOM 1139 CB LYS A 72 -1.798 -0.045 11.153 1.00 0.00 C ATOM 1140 CG LYS A 72 -1.748 -0.774 9.813 1.00 0.00 C ATOM 1141 CD LYS A 72 -0.501 -0.415 9.016 1.00 0.00 C ATOM 1142 CE LYS A 72 -0.644 -0.772 7.543 1.00 0.00 C ATOM 1143 NZ LYS A 72 -1.564 0.157 6.829 1.00 0.00 N ATOM 0 H LYS A 72 -0.381 1.876 10.266 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.247 1.412 10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.806 -0.062 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.463 -0.585 11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.772 -1.850 9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.635 -0.524 9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.304 0.653 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.359 -0.938 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.336 -0.747 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.017 -1.792 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.979 -0.328 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.323 0.458 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.033 0.991 6.506 1.00 0.00 H new ATOM 1157 N LYS A 73 -1.906 3.235 12.592 1.00 0.00 N ATOM 1158 CA LYS A 73 -2.094 4.001 13.809 1.00 0.00 C ATOM 1159 C LYS A 73 -3.306 4.925 13.666 1.00 0.00 C ATOM 1160 O LYS A 73 -3.551 5.800 14.499 1.00 0.00 O ATOM 1161 CB LYS A 73 -0.822 4.800 14.097 1.00 0.00 C ATOM 1162 CG LYS A 73 -0.728 5.348 15.510 1.00 0.00 C ATOM 1163 CD LYS A 73 -0.937 6.854 15.551 1.00 0.00 C ATOM 1164 CE LYS A 73 -0.962 7.377 16.977 1.00 0.00 C ATOM 1165 NZ LYS A 73 -1.215 8.842 17.026 1.00 0.00 N ATOM 0 H LYS A 73 -1.326 3.698 11.892 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.285 3.329 14.646 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.042 4.163 13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.763 5.631 13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.474 4.861 16.138 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.249 5.106 15.929 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.139 7.348 14.996 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.874 7.105 15.054 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.735 6.856 17.541 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.011 7.156 17.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.224 9.160 18.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.463 9.342 16.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.134 9.050 16.587 1.00 0.00 H new ATOM 1179 N LEU A 74 -4.075 4.706 12.611 1.00 0.00 N ATOM 1180 CA LEU A 74 -5.251 5.510 12.337 1.00 0.00 C ATOM 1181 C LEU A 74 -6.398 5.139 13.269 1.00 0.00 C ATOM 1182 O LEU A 74 -7.303 4.392 12.902 1.00 0.00 O ATOM 1183 CB LEU A 74 -5.687 5.353 10.881 1.00 0.00 C ATOM 1184 CG LEU A 74 -4.799 6.049 9.849 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -5.337 5.814 8.447 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -4.700 7.540 10.144 1.00 0.00 C ATOM 0 H LEU A 74 -3.902 3.971 11.926 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.988 6.553 12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.725 4.290 10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.702 5.738 10.780 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.797 5.624 9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.695 6.315 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.354 4.744 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.348 6.214 8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.064 8.017 9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.695 7.984 10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.271 7.687 11.135 1.00 0.00 H new ATOM 1198 N ASN A 75 -6.321 5.635 14.488 1.00 0.00 N ATOM 1199 CA ASN A 75 -7.390 5.471 15.454 1.00 0.00 C ATOM 1200 C ASN A 75 -8.150 6.779 15.574 1.00 0.00 C ATOM 1201 O ASN A 75 -8.004 7.663 14.725 1.00 0.00 O ATOM 1202 CB ASN A 75 -6.829 5.051 16.820 1.00 0.00 C ATOM 1203 CG ASN A 75 -6.055 3.747 16.757 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -6.632 2.664 16.844 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -4.741 3.840 16.636 1.00 0.00 N ATOM 0 H ASN A 75 -5.519 6.161 14.836 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.064 4.685 15.115 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.177 5.838 17.199 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.650 4.948 17.530 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.170 2.995 16.612 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.299 4.757 16.566 1.00 0.00 H new ATOM 1212 N ILE A 76 -8.956 6.909 16.615 1.00 0.00 N ATOM 1213 CA ILE A 76 -9.716 8.131 16.818 1.00 0.00 C ATOM 1214 C ILE A 76 -8.774 9.257 17.214 1.00 0.00 C ATOM 1215 O ILE A 76 -8.147 9.225 18.277 1.00 0.00 O ATOM 1216 CB ILE A 76 -10.819 7.999 17.895 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -11.730 6.790 17.639 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -11.654 9.273 17.946 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -11.146 5.463 18.082 1.00 0.00 C ATOM 0 H ILE A 76 -9.100 6.192 17.326 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.213 8.346 15.872 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.324 7.844 18.854 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.677 6.948 18.156 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.953 6.738 16.573 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.428 9.171 18.707 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.012 10.119 18.192 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.120 9.442 16.975 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.854 4.663 17.865 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.215 5.279 17.547 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.949 5.492 19.154 1.00 0.00 H new ATOM 1231 N ASP A 77 -8.675 10.237 16.341 1.00 0.00 N ATOM 1232 CA ASP A 77 -7.777 11.368 16.522 1.00 0.00 C ATOM 1233 C ASP A 77 -8.248 12.523 15.657 1.00 0.00 C ATOM 1234 O ASP A 77 -8.088 12.500 14.435 1.00 0.00 O ATOM 1235 CB ASP A 77 -6.344 10.973 16.151 1.00 0.00 C ATOM 1236 CG ASP A 77 -5.344 12.100 16.331 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -5.337 12.732 17.405 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -4.527 12.327 15.412 1.00 0.00 O ATOM 0 H ASP A 77 -9.217 10.276 15.478 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.786 11.674 17.568 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.039 10.125 16.763 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.323 10.641 15.113 1.00 0.00 H new ATOM 1243 N THR A 78 -8.858 13.508 16.290 1.00 0.00 N ATOM 1244 CA THR A 78 -9.455 14.615 15.569 1.00 0.00 C ATOM 1245 C THR A 78 -8.412 15.671 15.212 1.00 0.00 C ATOM 1246 O THR A 78 -7.612 16.094 16.052 1.00 0.00 O ATOM 1247 CB THR A 78 -10.616 15.256 16.370 1.00 0.00 C ATOM 1248 OG1 THR A 78 -11.170 16.372 15.654 1.00 0.00 O ATOM 1249 CG2 THR A 78 -10.156 15.705 17.753 1.00 0.00 C ATOM 0 H THR A 78 -8.953 13.563 17.304 1.00 0.00 H new ATOM 0 HA THR A 78 -9.865 14.210 14.644 1.00 0.00 H new ATOM 0 HB THR A 78 -11.386 14.495 16.496 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.903 16.763 16.174 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.994 16.150 18.289 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.785 14.845 18.310 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.359 16.441 17.650 1.00 0.00 H new ATOM 1257 N VAL A 79 -8.409 16.057 13.947 1.00 0.00 N ATOM 1258 CA VAL A 79 -7.574 17.147 13.467 1.00 0.00 C ATOM 1259 C VAL A 79 -8.476 18.241 12.905 1.00 0.00 C ATOM 1260 O VAL A 79 -8.801 18.242 11.717 1.00 0.00 O ATOM 1261 CB VAL A 79 -6.572 16.685 12.381 1.00 0.00 C ATOM 1262 CG1 VAL A 79 -5.624 17.814 12.008 1.00 0.00 C ATOM 1263 CG2 VAL A 79 -5.792 15.461 12.843 1.00 0.00 C ATOM 0 H VAL A 79 -8.984 15.625 13.224 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.987 17.522 14.305 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.142 16.408 11.494 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.929 17.468 11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.197 18.657 11.622 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.066 18.127 12.891 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.095 15.157 12.062 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.237 15.704 13.749 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.484 14.645 13.049 1.00 0.00 H new ATOM 1273 N PRO A 80 -8.945 19.149 13.773 1.00 0.00 N ATOM 1274 CA PRO A 80 -9.945 20.152 13.405 1.00 0.00 C ATOM 1275 C PRO A 80 -9.402 21.231 12.471 1.00 0.00 C ATOM 1276 O PRO A 80 -8.929 22.279 12.919 1.00 0.00 O ATOM 1277 CB PRO A 80 -10.356 20.759 14.748 1.00 0.00 C ATOM 1278 CG PRO A 80 -9.185 20.546 15.643 1.00 0.00 C ATOM 1279 CD PRO A 80 -8.527 19.273 15.183 1.00 0.00 C ATOM 0 HA PRO A 80 -10.770 19.704 12.851 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.588 21.819 14.647 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.248 20.274 15.144 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.492 21.385 15.583 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.500 20.467 16.683 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.442 19.328 15.275 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.854 18.418 15.774 1.00 0.00 H new ATOM 1287 N ILE A 81 -9.449 20.962 11.175 1.00 0.00 N ATOM 1288 CA ILE A 81 -9.079 21.960 10.186 1.00 0.00 C ATOM 1289 C ILE A 81 -10.220 22.949 10.026 1.00 0.00 C ATOM 1290 O ILE A 81 -11.352 22.572 9.718 1.00 0.00 O ATOM 1291 CB ILE A 81 -8.748 21.332 8.818 1.00 0.00 C ATOM 1292 CG1 ILE A 81 -7.676 20.246 8.971 1.00 0.00 C ATOM 1293 CG2 ILE A 81 -8.292 22.398 7.834 1.00 0.00 C ATOM 1294 CD1 ILE A 81 -6.374 20.747 9.563 1.00 0.00 C ATOM 0 H ILE A 81 -9.739 20.065 10.786 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.180 22.463 10.541 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.653 20.870 8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.068 19.449 9.603 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.474 19.808 7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.063 21.934 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.085 23.134 7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.400 22.892 8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.667 19.921 9.639 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.957 21.523 8.921 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.560 21.158 10.555 1.00 0.00 H new ATOM 1306 N GLU A 82 -9.915 24.206 10.252 1.00 0.00 N ATOM 1307 CA GLU A 82 -10.919 25.247 10.244 1.00 0.00 C ATOM 1308 C GLU A 82 -11.294 25.603 8.814 1.00 0.00 C ATOM 1309 O GLU A 82 -10.459 26.068 8.036 1.00 0.00 O ATOM 1310 CB GLU A 82 -10.406 26.471 10.995 1.00 0.00 C ATOM 1311 CG GLU A 82 -11.461 27.538 11.215 1.00 0.00 C ATOM 1312 CD GLU A 82 -10.983 28.618 12.153 1.00 0.00 C ATOM 1313 OE1 GLU A 82 -11.147 28.456 13.384 1.00 0.00 O ATOM 1314 OE2 GLU A 82 -10.443 29.633 11.671 1.00 0.00 O ATOM 0 H GLU A 82 -8.969 24.536 10.446 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.814 24.885 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.014 26.155 11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.574 26.904 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.732 27.983 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.363 27.079 11.620 1.00 0.00 H new ATOM 1321 N SER A 83 -12.546 25.363 8.468 1.00 0.00 N ATOM 1322 CA SER A 83 -13.022 25.615 7.123 1.00 0.00 C ATOM 1323 C SER A 83 -13.812 26.920 7.080 1.00 0.00 C ATOM 1324 O SER A 83 -14.892 27.020 7.663 1.00 0.00 O ATOM 1325 CB SER A 83 -13.881 24.440 6.658 1.00 0.00 C ATOM 1326 OG SER A 83 -13.206 23.210 6.880 1.00 0.00 O ATOM 0 H SER A 83 -13.253 24.993 9.104 1.00 0.00 H new ATOM 0 HA SER A 83 -12.172 25.714 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.830 24.442 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.112 24.548 5.598 1.00 0.00 H new ATOM 0 HG SER A 83 -13.771 22.468 6.578 1.00 0.00 H new ATOM 1332 N GLY A 84 -13.252 27.922 6.415 1.00 0.00 N ATOM 1333 CA GLY A 84 -13.907 29.214 6.326 1.00 0.00 C ATOM 1334 C GLY A 84 -15.068 29.215 5.352 1.00 0.00 C ATOM 1335 O GLY A 84 -15.080 28.450 4.382 1.00 0.00 O ATOM 0 H GLY A 84 -12.354 27.864 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.266 29.503 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.179 29.965 6.019 1.00 0.00 H new ATOM 1339 N TYR A 85 -16.045 30.073 5.605 1.00 0.00 N ATOM 1340 CA TYR A 85 -17.217 30.166 4.748 1.00 0.00 C ATOM 1341 C TYR A 85 -17.032 31.292 3.740 1.00 0.00 C ATOM 1342 O TYR A 85 -17.012 32.470 4.105 1.00 0.00 O ATOM 1343 CB TYR A 85 -18.474 30.403 5.590 1.00 0.00 C ATOM 1344 CG TYR A 85 -19.763 30.264 4.808 1.00 0.00 C ATOM 1345 CD1 TYR A 85 -20.277 29.009 4.507 1.00 0.00 C ATOM 1346 CD2 TYR A 85 -20.465 31.381 4.376 1.00 0.00 C ATOM 1347 CE1 TYR A 85 -21.453 28.872 3.796 1.00 0.00 C ATOM 1348 CE2 TYR A 85 -21.643 31.253 3.663 1.00 0.00 C ATOM 1349 CZ TYR A 85 -22.131 29.995 3.378 1.00 0.00 C ATOM 1350 OH TYR A 85 -23.304 29.858 2.669 1.00 0.00 O ATOM 0 H TYR A 85 -16.049 30.715 6.397 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.337 29.227 4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.484 29.696 6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.428 31.402 6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.748 28.126 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.085 32.367 4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.839 27.889 3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.177 32.132 3.332 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.659 30.745 2.449 1.00 0.00 H new ATOM 1360 N THR A 86 -16.883 30.930 2.480 1.00 0.00 N ATOM 1361 CA THR A 86 -16.634 31.904 1.431 1.00 0.00 C ATOM 1362 C THR A 86 -17.514 31.606 0.214 1.00 0.00 C ATOM 1363 O THR A 86 -18.360 30.710 0.270 1.00 0.00 O ATOM 1364 CB THR A 86 -15.144 31.879 1.020 1.00 0.00 C ATOM 1365 OG1 THR A 86 -14.342 31.459 2.134 1.00 0.00 O ATOM 1366 CG2 THR A 86 -14.672 33.256 0.564 1.00 0.00 C ATOM 0 H THR A 86 -16.930 29.964 2.156 1.00 0.00 H new ATOM 0 HA THR A 86 -16.879 32.895 1.812 1.00 0.00 H new ATOM 0 HB THR A 86 -15.037 31.180 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.398 31.442 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.620 33.205 0.282 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.263 33.578 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.795 33.971 1.378 1.00 0.00 H new ATOM 1374 N LEU A 87 -17.309 32.367 -0.866 1.00 0.00 N ATOM 1375 CA LEU A 87 -18.015 32.176 -2.140 1.00 0.00 C ATOM 1376 C LEU A 87 -19.465 32.659 -2.068 1.00 0.00 C ATOM 1377 O LEU A 87 -20.205 32.337 -1.136 1.00 0.00 O ATOM 1378 CB LEU A 87 -17.974 30.710 -2.606 1.00 0.00 C ATOM 1379 CG LEU A 87 -16.653 30.236 -3.228 1.00 0.00 C ATOM 1380 CD1 LEU A 87 -15.561 30.103 -2.175 1.00 0.00 C ATOM 1381 CD2 LEU A 87 -16.855 28.917 -3.957 1.00 0.00 C ATOM 0 H LEU A 87 -16.643 33.140 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.486 32.784 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -18.199 30.072 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -18.770 30.559 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 87 -16.331 30.989 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.639 29.766 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.393 31.070 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.869 29.378 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.910 28.594 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -17.207 28.163 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.593 29.048 -4.748 1.00 0.00 H new ATOM 1393 N GLU A 88 -19.864 33.443 -3.057 1.00 0.00 N ATOM 1394 CA GLU A 88 -21.230 33.936 -3.148 1.00 0.00 C ATOM 1395 C GLU A 88 -22.094 32.943 -3.917 1.00 0.00 C ATOM 1396 O GLU A 88 -21.859 32.689 -5.098 1.00 0.00 O ATOM 1397 CB GLU A 88 -21.247 35.296 -3.843 1.00 0.00 C ATOM 1398 CG GLU A 88 -20.569 36.397 -3.046 1.00 0.00 C ATOM 1399 CD GLU A 88 -20.231 37.597 -3.900 1.00 0.00 C ATOM 1400 OE1 GLU A 88 -21.156 38.322 -4.315 1.00 0.00 O ATOM 1401 OE2 GLU A 88 -19.029 37.809 -4.175 1.00 0.00 O ATOM 0 H GLU A 88 -19.256 33.754 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 88 -21.635 34.048 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.756 35.205 -4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -22.281 35.583 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -21.222 36.707 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -19.657 36.007 -2.594 1.00 0.00 H new ATOM 1408 N HIS A 89 -23.077 32.372 -3.241 1.00 0.00 N ATOM 1409 CA HIS A 89 -23.972 31.405 -3.864 1.00 0.00 C ATOM 1410 C HIS A 89 -25.397 31.636 -3.386 1.00 0.00 C ATOM 1411 O HIS A 89 -25.644 31.779 -2.185 1.00 0.00 O ATOM 1412 CB HIS A 89 -23.513 29.960 -3.581 1.00 0.00 C ATOM 1413 CG HIS A 89 -23.539 29.560 -2.134 1.00 0.00 C ATOM 1414 ND1 HIS A 89 -24.184 28.431 -1.682 1.00 0.00 N ATOM 1415 CD2 HIS A 89 -22.983 30.135 -1.041 1.00 0.00 C ATOM 1416 CE1 HIS A 89 -24.032 28.332 -0.376 1.00 0.00 C ATOM 1417 NE2 HIS A 89 -23.304 29.351 0.039 1.00 0.00 N ATOM 0 H HIS A 89 -23.278 32.560 -2.259 1.00 0.00 H new ATOM 0 HA HIS A 89 -23.942 31.547 -4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -24.148 29.276 -4.143 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -22.498 29.836 -3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -22.396 31.042 -1.023 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -24.435 27.549 0.249 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -23.025 29.527 1.004 1.00 0.00 H new ATOM 1426 N HIS A 90 -26.323 31.699 -4.325 1.00 0.00 N ATOM 1427 CA HIS A 90 -27.707 32.010 -4.015 1.00 0.00 C ATOM 1428 C HIS A 90 -28.630 31.003 -4.692 1.00 0.00 C ATOM 1429 O HIS A 90 -28.274 30.421 -5.718 1.00 0.00 O ATOM 1430 CB HIS A 90 -28.031 33.430 -4.498 1.00 0.00 C ATOM 1431 CG HIS A 90 -29.144 34.097 -3.750 1.00 0.00 C ATOM 1432 ND1 HIS A 90 -28.923 34.998 -2.733 1.00 0.00 N ATOM 1433 CD2 HIS A 90 -30.489 34.001 -3.879 1.00 0.00 C ATOM 1434 CE1 HIS A 90 -30.080 35.426 -2.267 1.00 0.00 C ATOM 1435 NE2 HIS A 90 -31.045 34.840 -2.948 1.00 0.00 N ATOM 0 H HIS A 90 -26.140 31.538 -5.315 1.00 0.00 H new ATOM 0 HA HIS A 90 -27.858 31.954 -2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -27.134 34.043 -4.414 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -28.292 33.391 -5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -31.023 33.380 -4.583 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -30.214 36.136 -1.464 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -32.044 34.987 -2.805 1.00 0.00 H new ATOM 1444 N HIS A 91 -29.799 30.782 -4.101 1.00 0.00 N ATOM 1445 CA HIS A 91 -30.815 29.927 -4.701 1.00 0.00 C ATOM 1446 C HIS A 91 -31.310 30.518 -6.010 1.00 0.00 C ATOM 1447 O HIS A 91 -31.420 31.738 -6.148 1.00 0.00 O ATOM 1448 CB HIS A 91 -31.999 29.732 -3.753 1.00 0.00 C ATOM 1449 CG HIS A 91 -31.736 28.771 -2.639 1.00 0.00 C ATOM 1450 ND1 HIS A 91 -32.253 28.923 -1.373 1.00 0.00 N ATOM 1451 CD2 HIS A 91 -31.028 27.619 -2.618 1.00 0.00 C ATOM 1452 CE1 HIS A 91 -31.875 27.908 -0.621 1.00 0.00 C ATOM 1453 NE2 HIS A 91 -31.129 27.101 -1.353 1.00 0.00 N ATOM 0 H HIS A 91 -30.067 31.185 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 91 -30.355 28.958 -4.895 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -32.274 30.698 -3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -32.856 29.381 -4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -30.484 27.187 -3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -32.132 27.762 0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -30.699 26.234 -1.030 1.00 0.00 H new ATOM 1462 N HIS A 92 -31.608 29.653 -6.962 1.00 0.00 N ATOM 1463 CA HIS A 92 -32.081 30.084 -8.265 1.00 0.00 C ATOM 1464 C HIS A 92 -32.961 29.017 -8.896 1.00 0.00 C ATOM 1465 O HIS A 92 -32.801 27.826 -8.626 1.00 0.00 O ATOM 1466 CB HIS A 92 -30.903 30.423 -9.194 1.00 0.00 C ATOM 1467 CG HIS A 92 -29.865 29.342 -9.311 1.00 0.00 C ATOM 1468 ND1 HIS A 92 -28.576 29.494 -8.852 1.00 0.00 N ATOM 1469 CD2 HIS A 92 -29.925 28.100 -9.848 1.00 0.00 C ATOM 1470 CE1 HIS A 92 -27.891 28.393 -9.096 1.00 0.00 C ATOM 1471 NE2 HIS A 92 -28.687 27.530 -9.699 1.00 0.00 N ATOM 0 H HIS A 92 -31.530 28.641 -6.856 1.00 0.00 H new ATOM 0 HA HIS A 92 -32.676 30.987 -8.124 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -31.293 30.643 -10.188 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -30.422 31.332 -8.832 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -30.788 27.643 -10.308 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -26.854 28.226 -8.845 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -28.424 26.593 -10.004 1.00 0.00 H new ATOM 1480 N HIS A 93 -33.889 29.452 -9.728 1.00 0.00 N ATOM 1481 CA HIS A 93 -34.763 28.539 -10.445 1.00 0.00 C ATOM 1482 C HIS A 93 -34.046 28.030 -11.693 1.00 0.00 C ATOM 1483 O HIS A 93 -33.253 28.757 -12.296 1.00 0.00 O ATOM 1484 CB HIS A 93 -36.061 29.259 -10.831 1.00 0.00 C ATOM 1485 CG HIS A 93 -37.112 28.364 -11.410 1.00 0.00 C ATOM 1486 ND1 HIS A 93 -37.299 28.200 -12.765 1.00 0.00 N ATOM 1487 CD2 HIS A 93 -38.049 27.594 -10.808 1.00 0.00 C ATOM 1488 CE1 HIS A 93 -38.303 27.368 -12.970 1.00 0.00 C ATOM 1489 NE2 HIS A 93 -38.779 26.986 -11.799 1.00 0.00 N ATOM 0 H HIS A 93 -34.058 30.438 -9.925 1.00 0.00 H new ATOM 0 HA HIS A 93 -35.012 27.691 -9.807 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -36.466 29.752 -9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -35.828 30.041 -11.553 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -38.195 27.479 -9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -38.673 27.052 -13.934 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -39.560 26.345 -11.655 1.00 0.00 H new ATOM 1498 N HIS A 94 -34.301 26.787 -12.071 1.00 0.00 N ATOM 1499 CA HIS A 94 -33.689 26.233 -13.266 1.00 0.00 C ATOM 1500 C HIS A 94 -34.498 26.644 -14.486 1.00 0.00 C ATOM 1501 O HIS A 94 -34.124 27.640 -15.136 1.00 0.00 O ATOM 1502 CB HIS A 94 -33.587 24.710 -13.180 1.00 0.00 C ATOM 1503 CG HIS A 94 -32.617 24.123 -14.159 1.00 0.00 C ATOM 1504 ND1 HIS A 94 -32.997 23.353 -15.235 1.00 0.00 N ATOM 1505 CD2 HIS A 94 -31.266 24.200 -14.215 1.00 0.00 C ATOM 1506 CE1 HIS A 94 -31.924 22.983 -15.908 1.00 0.00 C ATOM 1507 NE2 HIS A 94 -30.861 23.483 -15.311 1.00 0.00 N ATOM 1508 OXT HIS A 94 -35.528 26.006 -14.763 1.00 0.00 O ATOM 0 H HIS A 94 -34.921 26.149 -11.573 1.00 0.00 H new ATOM 0 HA HIS A 94 -32.676 26.626 -13.354 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -33.287 24.430 -12.170 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -34.572 24.277 -13.352 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -30.626 24.729 -13.524 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -31.918 22.373 -16.799 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -29.895 23.357 -15.615 1.00 0.00 H new TER 1517 HIS A 94