USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= 0.467 K(o=0.57,f=-6.5!) USER MOD Set 1.2: A 115 THR OG1 : rot -79:sc= 0.0999 USER MOD Set 2.1: A 42 MET CE :methyl -149:sc= 0 (180deg=-0.0115) USER MOD Set 2.2: A 56 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.24) USER MOD Single : A 10 GLN : amide:sc= -3.7! K(o=-3.7!,f=-0.032) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 16:sc= 0.144! USER MOD Single : A 25 SER OG : rot 38:sc= 0.399 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -176:sc= -4.03! (180deg=-4.34!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00848 K(o=-0.0085,f=-3.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 40:sc= 0.168 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 80 SER OG : rot 88:sc= 0.966 USER MOD Single : A 82 SER OG : rot -60:sc= 0.456 USER MOD Single : A 84 SER OG : rot 180:sc= -0.159 USER MOD Single : A 85 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.87) USER MOD Single : A 87 THR OG1 : rot -93:sc= 0.422 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 94 TYR OH : rot -56:sc= 0.902 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -121:sc= 1.19 (180deg=-0.706) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.905 USER MOD Single : A 110 LYS NZ :NH3+ -126:sc= 0.951 (180deg=-0.169) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 113:sc= 1.24 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.960 26.403 -5.153 1.00 0.00 N ATOM 67 CA GLU A 8 -6.592 26.111 -3.772 1.00 0.00 C ATOM 68 C GLU A 8 -6.097 24.675 -3.633 1.00 0.00 C ATOM 69 O GLU A 8 -6.053 23.924 -4.608 1.00 0.00 O ATOM 70 CB GLU A 8 -7.785 26.344 -2.843 1.00 0.00 C ATOM 71 CG GLU A 8 -8.913 25.346 -3.039 1.00 0.00 C ATOM 72 CD GLU A 8 -10.222 25.819 -2.438 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.911 26.637 -3.083 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.558 25.372 -1.321 1.00 0.00 O ATOM 0 HA GLU A 8 -5.783 26.784 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.444 26.296 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.170 27.351 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.052 25.165 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.633 24.394 -2.588 1.00 0.00 H new ATOM 81 N LEU A 9 -5.725 24.299 -2.414 1.00 0.00 N ATOM 82 CA LEU A 9 -5.233 22.952 -2.145 1.00 0.00 C ATOM 83 C LEU A 9 -6.108 21.906 -2.829 1.00 0.00 C ATOM 84 O LEU A 9 -7.299 22.126 -3.044 1.00 0.00 O ATOM 85 CB LEU A 9 -5.192 22.694 -0.638 1.00 0.00 C ATOM 86 CG LEU A 9 -4.803 21.279 -0.210 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.097 21.305 1.137 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.030 20.382 -0.154 1.00 0.00 C ATOM 0 H LEU A 9 -5.755 24.908 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.223 22.873 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.488 23.394 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.175 22.920 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.115 20.872 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.827 20.289 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.195 21.913 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.762 21.732 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.734 19.379 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.743 20.785 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.494 20.338 -1.139 1.00 0.00 H new ATOM 100 N GLN A 10 -5.508 20.768 -3.164 1.00 0.00 N ATOM 101 CA GLN A 10 -6.234 19.688 -3.821 1.00 0.00 C ATOM 102 C GLN A 10 -5.419 18.399 -3.808 1.00 0.00 C ATOM 103 O GLN A 10 -4.359 18.316 -4.429 1.00 0.00 O ATOM 104 CB GLN A 10 -6.574 20.076 -5.261 1.00 0.00 C ATOM 105 CG GLN A 10 -6.816 18.883 -6.172 1.00 0.00 C ATOM 106 CD GLN A 10 -8.177 18.251 -5.957 1.00 0.00 C ATOM 107 OE1 GLN A 10 -8.988 18.167 -6.880 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.436 17.802 -4.734 1.00 0.00 N ATOM 0 H GLN A 10 -4.522 20.571 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.159 19.517 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.463 20.707 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.760 20.675 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.727 19.200 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.041 18.136 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.735 17.892 -3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.336 17.367 -4.530 1.00 0.00 H new ATOM 117 N VAL A 11 -5.921 17.394 -3.097 1.00 0.00 N ATOM 118 CA VAL A 11 -5.240 16.108 -3.004 1.00 0.00 C ATOM 119 C VAL A 11 -4.919 15.555 -4.388 1.00 0.00 C ATOM 120 O VAL A 11 -5.801 15.438 -5.240 1.00 0.00 O ATOM 121 CB VAL A 11 -6.089 15.078 -2.235 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.390 13.728 -2.203 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.379 15.572 -0.826 1.00 0.00 C ATOM 0 H VAL A 11 -6.797 17.446 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.311 16.280 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.039 14.956 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.004 13.013 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.240 13.372 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.424 13.830 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.980 14.832 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.440 15.725 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.925 16.514 -0.876 1.00 0.00 H new ATOM 133 N ILE A 12 -3.653 15.215 -4.604 1.00 0.00 N ATOM 134 CA ILE A 12 -3.216 14.673 -5.885 1.00 0.00 C ATOM 135 C ILE A 12 -2.877 13.191 -5.766 1.00 0.00 C ATOM 136 O ILE A 12 -1.841 12.824 -5.212 1.00 0.00 O ATOM 137 CB ILE A 12 -1.988 15.427 -6.426 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.345 16.888 -6.712 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.462 14.749 -7.683 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.333 17.058 -7.845 1.00 0.00 C ATOM 0 H ILE A 12 -2.912 15.305 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.045 14.800 -6.581 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.204 15.405 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.760 17.336 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.434 17.436 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.594 15.294 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.175 13.724 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.240 14.744 -8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.540 18.118 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.913 16.640 -8.760 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.259 16.538 -7.601 1.00 0.00 H new ATOM 152 N GLN A 13 -3.756 12.344 -6.292 1.00 0.00 N ATOM 153 CA GLN A 13 -3.549 10.901 -6.246 1.00 0.00 C ATOM 154 C GLN A 13 -3.254 10.349 -7.637 1.00 0.00 C ATOM 155 O GLN A 13 -4.150 9.921 -8.364 1.00 0.00 O ATOM 156 CB GLN A 13 -4.778 10.206 -5.659 1.00 0.00 C ATOM 157 CG GLN A 13 -4.729 10.058 -4.147 1.00 0.00 C ATOM 158 CD GLN A 13 -5.469 8.829 -3.657 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.292 8.258 -4.374 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.180 8.414 -2.429 1.00 0.00 N ATOM 0 H GLN A 13 -4.618 12.632 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.689 10.703 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.669 10.771 -5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.876 9.218 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.689 10.004 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.161 10.946 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.491 8.917 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.647 7.592 -2.045 1.00 0.00 H new ATOM 169 N PRO A 14 -1.967 10.359 -8.017 1.00 0.00 N ATOM 170 CA PRO A 14 -1.525 9.862 -9.323 1.00 0.00 C ATOM 171 C PRO A 14 -1.650 8.347 -9.440 1.00 0.00 C ATOM 172 O PRO A 14 -1.779 7.809 -10.539 1.00 0.00 O ATOM 173 CB PRO A 14 -0.054 10.283 -9.383 1.00 0.00 C ATOM 174 CG PRO A 14 0.367 10.390 -7.958 1.00 0.00 C ATOM 175 CD PRO A 14 -0.846 10.854 -7.201 1.00 0.00 C ATOM 0 HA PRO A 14 -2.131 10.261 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.547 9.548 -9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.065 11.233 -9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.718 9.429 -7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.190 11.096 -7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.871 10.443 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.868 11.939 -7.104 1.00 0.00 H new ATOM 183 N GLU A 15 -1.611 7.665 -8.300 1.00 0.00 N ATOM 184 CA GLU A 15 -1.720 6.211 -8.276 1.00 0.00 C ATOM 185 C GLU A 15 -3.162 5.777 -8.028 1.00 0.00 C ATOM 186 O GLU A 15 -3.524 5.389 -6.917 1.00 0.00 O ATOM 187 CB GLU A 15 -0.807 5.626 -7.197 1.00 0.00 C ATOM 188 CG GLU A 15 0.641 5.489 -7.633 1.00 0.00 C ATOM 189 CD GLU A 15 0.840 4.391 -8.660 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.384 3.256 -8.412 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.452 4.669 -9.713 1.00 0.00 O ATOM 0 H GLU A 15 -1.505 8.096 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.408 5.833 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.852 6.260 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.184 4.646 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.982 6.437 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.261 5.282 -6.761 1.00 0.00 H new ATOM 198 N LYS A 16 -3.983 5.847 -9.071 1.00 0.00 N ATOM 199 CA LYS A 16 -5.385 5.461 -8.969 1.00 0.00 C ATOM 200 C LYS A 16 -5.533 4.136 -8.229 1.00 0.00 C ATOM 201 O LYS A 16 -6.545 3.890 -7.573 1.00 0.00 O ATOM 202 CB LYS A 16 -6.008 5.352 -10.363 1.00 0.00 C ATOM 203 CG LYS A 16 -5.574 4.114 -11.128 1.00 0.00 C ATOM 204 CD LYS A 16 -4.326 4.377 -11.953 1.00 0.00 C ATOM 205 CE LYS A 16 -4.636 5.223 -13.178 1.00 0.00 C ATOM 206 NZ LYS A 16 -3.526 5.190 -14.171 1.00 0.00 N ATOM 0 H LYS A 16 -3.701 6.168 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.908 6.232 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.094 5.348 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.743 6.237 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.384 3.301 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.382 3.788 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.582 4.884 -11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.889 3.429 -12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.552 4.863 -13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.818 6.253 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.776 5.779 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.657 5.558 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.369 4.211 -14.483 1.00 0.00 H new ATOM 220 N SER A 17 -4.517 3.285 -8.339 1.00 0.00 N ATOM 221 CA SER A 17 -4.535 1.984 -7.683 1.00 0.00 C ATOM 222 C SER A 17 -3.134 1.384 -7.626 1.00 0.00 C ATOM 223 O SER A 17 -2.268 1.722 -8.434 1.00 0.00 O ATOM 224 CB SER A 17 -5.480 1.031 -8.418 1.00 0.00 C ATOM 225 OG SER A 17 -4.904 0.576 -9.630 1.00 0.00 O ATOM 0 H SER A 17 -3.671 3.474 -8.877 1.00 0.00 H new ATOM 0 HA SER A 17 -4.893 2.125 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.711 0.179 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.422 1.538 -8.627 1.00 0.00 H new ATOM 0 HG SER A 17 -5.527 -0.033 -10.080 1.00 0.00 H new ATOM 231 N VAL A 18 -2.917 0.492 -6.664 1.00 0.00 N ATOM 232 CA VAL A 18 -1.621 -0.157 -6.501 1.00 0.00 C ATOM 233 C VAL A 18 -1.758 -1.674 -6.540 1.00 0.00 C ATOM 234 O VAL A 18 -2.857 -2.205 -6.696 1.00 0.00 O ATOM 235 CB VAL A 18 -0.951 0.254 -5.176 1.00 0.00 C ATOM 236 CG1 VAL A 18 -0.588 1.731 -5.197 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.861 -0.064 -3.999 1.00 0.00 C ATOM 0 H VAL A 18 -3.622 0.202 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.996 0.169 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.031 -0.319 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.116 2.003 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.103 1.924 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.491 2.326 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.372 0.233 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.798 0.482 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.065 -1.134 -3.976 1.00 0.00 H new ATOM 247 N SER A 19 -0.633 -2.368 -6.397 1.00 0.00 N ATOM 248 CA SER A 19 -0.626 -3.826 -6.419 1.00 0.00 C ATOM 249 C SER A 19 0.540 -4.376 -5.603 1.00 0.00 C ATOM 250 O SER A 19 1.690 -3.983 -5.797 1.00 0.00 O ATOM 251 CB SER A 19 -0.539 -4.335 -7.860 1.00 0.00 C ATOM 252 OG SER A 19 0.799 -4.320 -8.326 1.00 0.00 O ATOM 0 H SER A 19 0.285 -1.944 -6.265 1.00 0.00 H new ATOM 0 HA SER A 19 -1.557 -4.176 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.935 -5.349 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.160 -3.714 -8.506 1.00 0.00 H new ATOM 0 HG SER A 19 1.410 -4.232 -7.565 1.00 0.00 H new ATOM 258 N VAL A 20 0.233 -5.289 -4.686 1.00 0.00 N ATOM 259 CA VAL A 20 1.254 -5.895 -3.840 1.00 0.00 C ATOM 260 C VAL A 20 0.914 -7.347 -3.523 1.00 0.00 C ATOM 261 O VAL A 20 -0.070 -7.889 -4.026 1.00 0.00 O ATOM 262 CB VAL A 20 1.421 -5.120 -2.520 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.395 -3.965 -2.699 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.074 -4.619 -2.021 1.00 0.00 C ATOM 0 H VAL A 20 -0.714 -5.625 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 20 2.190 -5.857 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 20 1.831 -5.798 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.501 -3.429 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.366 -4.352 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.017 -3.285 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.212 -4.074 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.367 -3.957 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.590 -5.467 -1.851 1.00 0.00 H new ATOM 274 N ALA A 21 1.735 -7.972 -2.686 1.00 0.00 N ATOM 275 CA ALA A 21 1.520 -9.362 -2.300 1.00 0.00 C ATOM 276 C ALA A 21 1.542 -9.520 -0.783 1.00 0.00 C ATOM 277 O ALA A 21 2.303 -8.845 -0.090 1.00 0.00 O ATOM 278 CB ALA A 21 2.570 -10.256 -2.941 1.00 0.00 C ATOM 0 H ALA A 21 2.555 -7.538 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 21 0.535 -9.664 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.397 -11.291 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.504 -10.174 -4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.562 -9.945 -2.613 1.00 0.00 H new ATOM 284 N ALA A 22 0.702 -10.415 -0.274 1.00 0.00 N ATOM 285 CA ALA A 22 0.627 -10.662 1.161 1.00 0.00 C ATOM 286 C ALA A 22 2.019 -10.730 1.780 1.00 0.00 C ATOM 287 O ALA A 22 2.776 -11.666 1.528 1.00 0.00 O ATOM 288 CB ALA A 22 -0.138 -11.948 1.435 1.00 0.00 C ATOM 0 H ALA A 22 0.064 -10.981 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 22 0.094 -9.830 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.187 -12.120 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.148 -11.862 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.372 -12.784 0.956 1.00 0.00 H new ATOM 294 N GLY A 23 2.351 -9.730 2.591 1.00 0.00 N ATOM 295 CA GLY A 23 3.652 -9.695 3.233 1.00 0.00 C ATOM 296 C GLY A 23 4.597 -8.709 2.575 1.00 0.00 C ATOM 297 O GLY A 23 5.773 -8.636 2.929 1.00 0.00 O ATOM 0 H GLY A 23 1.742 -8.943 2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.529 -9.430 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.094 -10.691 3.206 1.00 0.00 H new ATOM 301 N GLU A 24 4.082 -7.951 1.612 1.00 0.00 N ATOM 302 CA GLU A 24 4.890 -6.966 0.902 1.00 0.00 C ATOM 303 C GLU A 24 4.582 -5.554 1.391 1.00 0.00 C ATOM 304 O GLU A 24 3.742 -5.360 2.270 1.00 0.00 O ATOM 305 CB GLU A 24 4.641 -7.061 -0.605 1.00 0.00 C ATOM 306 CG GLU A 24 5.063 -8.390 -1.209 1.00 0.00 C ATOM 307 CD GLU A 24 6.538 -8.680 -1.009 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.363 -8.091 -1.738 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.867 -9.495 -0.122 1.00 0.00 O ATOM 0 H GLU A 24 3.110 -8.000 1.306 1.00 0.00 H new ATOM 0 HA GLU A 24 5.939 -7.181 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.580 -6.903 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.180 -6.257 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.475 -9.191 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.838 -8.388 -2.276 1.00 0.00 H new ATOM 316 N SER A 25 5.268 -4.572 0.815 1.00 0.00 N ATOM 317 CA SER A 25 5.072 -3.178 1.195 1.00 0.00 C ATOM 318 C SER A 25 4.391 -2.400 0.073 1.00 0.00 C ATOM 319 O SER A 25 4.930 -2.273 -1.025 1.00 0.00 O ATOM 320 CB SER A 25 6.413 -2.528 1.541 1.00 0.00 C ATOM 321 OG SER A 25 7.319 -2.620 0.456 1.00 0.00 O ATOM 0 H SER A 25 5.964 -4.716 0.084 1.00 0.00 H new ATOM 0 HA SER A 25 4.428 -3.154 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.257 -1.481 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.841 -3.014 2.418 1.00 0.00 H new ATOM 0 HG SER A 25 6.835 -2.490 -0.386 1.00 0.00 H new ATOM 327 N ALA A 26 3.201 -1.881 0.359 1.00 0.00 N ATOM 328 CA ALA A 26 2.446 -1.113 -0.624 1.00 0.00 C ATOM 329 C ALA A 26 2.709 0.381 -0.473 1.00 0.00 C ATOM 330 O ALA A 26 2.824 0.893 0.642 1.00 0.00 O ATOM 331 CB ALA A 26 0.959 -1.406 -0.492 1.00 0.00 C ATOM 0 H ALA A 26 2.739 -1.978 1.263 1.00 0.00 H new ATOM 0 HA ALA A 26 2.778 -1.414 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.407 -0.826 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.781 -2.469 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.622 -1.133 0.508 1.00 0.00 H new ATOM 337 N THR A 27 2.804 1.078 -1.601 1.00 0.00 N ATOM 338 CA THR A 27 3.055 2.513 -1.594 1.00 0.00 C ATOM 339 C THR A 27 1.822 3.289 -2.045 1.00 0.00 C ATOM 340 O THR A 27 1.360 3.138 -3.176 1.00 0.00 O ATOM 341 CB THR A 27 4.240 2.881 -2.507 1.00 0.00 C ATOM 342 OG1 THR A 27 5.396 2.119 -2.139 1.00 0.00 O ATOM 343 CG2 THR A 27 4.555 4.366 -2.414 1.00 0.00 C ATOM 0 H THR A 27 2.711 0.671 -2.532 1.00 0.00 H new ATOM 0 HA THR A 27 3.298 2.786 -0.567 1.00 0.00 H new ATOM 0 HB THR A 27 3.964 2.649 -3.535 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.145 2.357 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.395 4.601 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.683 4.943 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.813 4.620 -1.386 1.00 0.00 H new ATOM 351 N LEU A 28 1.294 4.121 -1.153 1.00 0.00 N ATOM 352 CA LEU A 28 0.115 4.922 -1.460 1.00 0.00 C ATOM 353 C LEU A 28 0.497 6.374 -1.728 1.00 0.00 C ATOM 354 O LEU A 28 0.422 7.221 -0.838 1.00 0.00 O ATOM 355 CB LEU A 28 -0.887 4.852 -0.306 1.00 0.00 C ATOM 356 CG LEU A 28 -1.231 3.451 0.201 1.00 0.00 C ATOM 357 CD1 LEU A 28 -2.213 3.528 1.359 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.798 2.600 -0.926 1.00 0.00 C ATOM 0 H LEU A 28 1.664 4.258 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.346 4.515 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.491 5.431 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.810 5.339 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.315 2.981 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.446 2.521 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.770 4.100 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.128 4.018 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.037 1.606 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.703 3.067 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.061 2.516 -1.725 1.00 0.00 H new ATOM 370 N ARG A 29 0.906 6.655 -2.961 1.00 0.00 N ATOM 371 CA ARG A 29 1.299 8.004 -3.348 1.00 0.00 C ATOM 372 C ARG A 29 0.248 9.022 -2.913 1.00 0.00 C ATOM 373 O ARG A 29 -0.945 8.720 -2.872 1.00 0.00 O ATOM 374 CB ARG A 29 1.506 8.084 -4.861 1.00 0.00 C ATOM 375 CG ARG A 29 2.911 7.707 -5.304 1.00 0.00 C ATOM 376 CD ARG A 29 3.306 8.434 -6.580 1.00 0.00 C ATOM 377 NE ARG A 29 3.819 9.774 -6.311 1.00 0.00 N ATOM 378 CZ ARG A 29 4.368 10.551 -7.238 1.00 0.00 C ATOM 379 NH1 ARG A 29 4.473 10.124 -8.488 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.812 11.759 -6.915 1.00 0.00 N ATOM 0 H ARG A 29 0.974 5.965 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 29 2.238 8.240 -2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.790 7.425 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.288 9.098 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.620 7.948 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.966 6.630 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.064 7.855 -7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.441 8.503 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 29 3.752 10.133 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.132 9.197 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.895 10.723 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.732 12.092 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.233 12.355 -7.628 1.00 0.00 H new ATOM 394 N CYS A 30 0.700 10.229 -2.588 1.00 0.00 N ATOM 395 CA CYS A 30 -0.199 11.291 -2.155 1.00 0.00 C ATOM 396 C CYS A 30 0.550 12.613 -2.013 1.00 0.00 C ATOM 397 O CYS A 30 1.659 12.656 -1.482 1.00 0.00 O ATOM 398 CB CYS A 30 -0.858 10.920 -0.824 1.00 0.00 C ATOM 399 SG CYS A 30 -2.071 12.142 -0.229 1.00 0.00 S ATOM 0 H CYS A 30 1.684 10.495 -2.617 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.972 11.411 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.354 9.955 -0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.082 10.797 -0.069 1.00 0.00 H new ATOM 404 N ALA A 31 -0.066 13.690 -2.491 1.00 0.00 N ATOM 405 CA ALA A 31 0.541 15.013 -2.415 1.00 0.00 C ATOM 406 C ALA A 31 -0.489 16.105 -2.685 1.00 0.00 C ATOM 407 O ALA A 31 -1.347 15.960 -3.555 1.00 0.00 O ATOM 408 CB ALA A 31 1.697 15.121 -3.399 1.00 0.00 C ATOM 0 H ALA A 31 -0.984 13.672 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 31 0.924 15.152 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.141 16.114 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.450 14.370 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.329 14.956 -4.412 1.00 0.00 H new ATOM 414 N MET A 32 -0.398 17.197 -1.933 1.00 0.00 N ATOM 415 CA MET A 32 -1.322 18.314 -2.092 1.00 0.00 C ATOM 416 C MET A 32 -0.679 19.442 -2.892 1.00 0.00 C ATOM 417 O MET A 32 0.537 19.636 -2.845 1.00 0.00 O ATOM 418 CB MET A 32 -1.768 18.833 -0.724 1.00 0.00 C ATOM 419 CG MET A 32 -2.763 17.921 -0.023 1.00 0.00 C ATOM 420 SD MET A 32 -1.960 16.592 0.894 1.00 0.00 S ATOM 421 CE MET A 32 -3.151 15.270 0.687 1.00 0.00 C ATOM 0 H MET A 32 0.306 17.332 -1.208 1.00 0.00 H new ATOM 0 HA MET A 32 -2.194 17.956 -2.639 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.891 18.958 -0.088 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.216 19.819 -0.847 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.373 18.512 0.660 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.439 17.491 -0.762 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.831 14.399 1.258 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.126 15.600 1.045 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.222 15.006 -0.368 1.00 0.00 H new ATOM 431 N THR A 33 -1.501 20.185 -3.626 1.00 0.00 N ATOM 432 CA THR A 33 -1.012 21.292 -4.437 1.00 0.00 C ATOM 433 C THR A 33 -0.518 22.438 -3.562 1.00 0.00 C ATOM 434 O THR A 33 0.135 23.363 -4.044 1.00 0.00 O ATOM 435 CB THR A 33 -2.106 21.820 -5.385 1.00 0.00 C ATOM 436 OG1 THR A 33 -2.994 22.689 -4.673 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.893 20.671 -5.995 1.00 0.00 C ATOM 0 H THR A 33 -2.509 20.040 -3.675 1.00 0.00 H new ATOM 0 HA THR A 33 -0.182 20.907 -5.030 1.00 0.00 H new ATOM 0 HB THR A 33 -1.623 22.375 -6.189 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.685 23.021 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.660 21.068 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.219 20.028 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.366 20.092 -5.202 1.00 0.00 H new ATOM 445 N SER A 34 -0.834 22.371 -2.272 1.00 0.00 N ATOM 446 CA SER A 34 -0.424 23.405 -1.330 1.00 0.00 C ATOM 447 C SER A 34 -0.563 22.915 0.109 1.00 0.00 C ATOM 448 O SER A 34 -1.140 21.858 0.364 1.00 0.00 O ATOM 449 CB SER A 34 -1.260 24.670 -1.533 1.00 0.00 C ATOM 450 OG SER A 34 -0.529 25.828 -1.169 1.00 0.00 O ATOM 0 H SER A 34 -1.373 21.611 -1.856 1.00 0.00 H new ATOM 0 HA SER A 34 0.624 23.637 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.567 24.743 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.170 24.608 -0.936 1.00 0.00 H new ATOM 0 HG SER A 34 -1.084 26.623 -1.309 1.00 0.00 H new ATOM 456 N LEU A 35 -0.030 23.692 1.045 1.00 0.00 N ATOM 457 CA LEU A 35 -0.094 23.339 2.459 1.00 0.00 C ATOM 458 C LEU A 35 -1.064 24.250 3.205 1.00 0.00 C ATOM 459 O LEU A 35 -1.358 24.030 4.380 1.00 0.00 O ATOM 460 CB LEU A 35 1.297 23.429 3.091 1.00 0.00 C ATOM 461 CG LEU A 35 2.444 22.828 2.278 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.745 23.558 2.571 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.585 21.342 2.573 1.00 0.00 C ATOM 0 H LEU A 35 0.451 24.570 0.851 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.456 22.314 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.522 24.479 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.266 22.932 4.061 1.00 0.00 H new ATOM 0 HG LEU A 35 2.215 22.947 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.550 23.117 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.639 24.610 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.980 23.471 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.406 20.931 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.791 21.200 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.659 20.830 2.311 1.00 0.00 H new ATOM 475 N ILE A 36 -1.559 25.271 2.513 1.00 0.00 N ATOM 476 CA ILE A 36 -2.498 26.212 3.109 1.00 0.00 C ATOM 477 C ILE A 36 -3.910 25.989 2.579 1.00 0.00 C ATOM 478 O ILE A 36 -4.129 25.810 1.381 1.00 0.00 O ATOM 479 CB ILE A 36 -2.083 27.670 2.836 1.00 0.00 C ATOM 480 CG1 ILE A 36 -0.657 27.919 3.331 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.056 28.631 3.503 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.381 27.334 4.698 1.00 0.00 C ATOM 0 H ILE A 36 -1.325 25.467 1.540 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.484 26.034 4.184 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.110 27.844 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.047 27.495 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.474 28.993 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.750 29.657 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.058 28.467 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.058 28.458 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.648 27.549 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.060 27.776 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.532 26.255 4.669 1.00 0.00 H new ATOM 494 N PRO A 37 -4.894 26.003 3.491 1.00 0.00 N ATOM 495 CA PRO A 37 -4.645 26.215 4.920 1.00 0.00 C ATOM 496 C PRO A 37 -3.929 25.034 5.566 1.00 0.00 C ATOM 497 O PRO A 37 -4.142 23.882 5.185 1.00 0.00 O ATOM 498 CB PRO A 37 -6.051 26.373 5.505 1.00 0.00 C ATOM 499 CG PRO A 37 -6.939 25.641 4.560 1.00 0.00 C ATOM 500 CD PRO A 37 -6.324 25.811 3.198 1.00 0.00 C ATOM 0 HA PRO A 37 -3.995 27.072 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.111 25.954 6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.333 27.423 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.009 24.587 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.951 26.044 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.491 24.936 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.745 26.667 2.671 1.00 0.00 H new ATOM 508 N VAL A 38 -3.079 25.326 6.545 1.00 0.00 N ATOM 509 CA VAL A 38 -2.333 24.287 7.245 1.00 0.00 C ATOM 510 C VAL A 38 -3.220 23.088 7.557 1.00 0.00 C ATOM 511 O VAL A 38 -4.432 23.225 7.722 1.00 0.00 O ATOM 512 CB VAL A 38 -1.727 24.819 8.558 1.00 0.00 C ATOM 513 CG1 VAL A 38 -0.683 23.852 9.095 1.00 0.00 C ATOM 514 CG2 VAL A 38 -1.127 26.201 8.346 1.00 0.00 C ATOM 0 H VAL A 38 -2.890 26.274 6.871 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.527 23.975 6.581 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.523 24.903 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.266 24.245 10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.147 22.885 9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.114 23.733 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.704 26.562 9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.343 26.145 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.904 26.888 8.011 1.00 0.00 H new ATOM 524 N GLY A 39 -2.608 21.910 7.637 1.00 0.00 N ATOM 525 CA GLY A 39 -3.358 20.702 7.929 1.00 0.00 C ATOM 526 C GLY A 39 -2.521 19.448 7.774 1.00 0.00 C ATOM 527 O GLY A 39 -1.810 19.269 6.786 1.00 0.00 O ATOM 0 H GLY A 39 -1.606 21.771 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.743 20.754 8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.220 20.644 7.265 1.00 0.00 H new ATOM 531 N PRO A 40 -2.600 18.553 8.770 1.00 0.00 N ATOM 532 CA PRO A 40 -1.849 17.294 8.763 1.00 0.00 C ATOM 533 C PRO A 40 -2.365 16.317 7.712 1.00 0.00 C ATOM 534 O PRO A 40 -3.175 16.680 6.858 1.00 0.00 O ATOM 535 CB PRO A 40 -2.079 16.736 10.170 1.00 0.00 C ATOM 536 CG PRO A 40 -3.370 17.337 10.609 1.00 0.00 C ATOM 537 CD PRO A 40 -3.428 18.700 9.978 1.00 0.00 C ATOM 0 HA PRO A 40 -0.798 17.448 8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.132 15.647 10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.266 17.010 10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.214 16.724 10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.418 17.408 11.696 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.451 18.985 9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.034 19.468 10.644 1.00 0.00 H new ATOM 545 N ILE A 41 -1.892 15.077 7.780 1.00 0.00 N ATOM 546 CA ILE A 41 -2.307 14.048 6.835 1.00 0.00 C ATOM 547 C ILE A 41 -2.710 12.768 7.558 1.00 0.00 C ATOM 548 O ILE A 41 -1.966 12.256 8.395 1.00 0.00 O ATOM 549 CB ILE A 41 -1.189 13.725 5.827 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.714 15.003 5.133 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.675 12.710 4.804 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.793 15.691 4.326 1.00 0.00 C ATOM 0 H ILE A 41 -1.221 14.761 8.480 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.167 14.444 6.296 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.347 13.292 6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.337 15.696 5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.121 14.761 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.873 12.492 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.969 11.792 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.531 13.117 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.384 16.589 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.154 15.015 3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.619 15.965 4.982 1.00 0.00 H new ATOM 564 N MET A 42 -3.890 12.254 7.229 1.00 0.00 N ATOM 565 CA MET A 42 -4.390 11.031 7.845 1.00 0.00 C ATOM 566 C MET A 42 -5.034 10.121 6.803 1.00 0.00 C ATOM 567 O MET A 42 -5.989 10.510 6.132 1.00 0.00 O ATOM 568 CB MET A 42 -5.402 11.364 8.943 1.00 0.00 C ATOM 569 CG MET A 42 -4.789 12.073 10.139 1.00 0.00 C ATOM 570 SD MET A 42 -5.986 12.387 11.450 1.00 0.00 S ATOM 571 CE MET A 42 -5.310 13.878 12.177 1.00 0.00 C ATOM 0 H MET A 42 -4.518 12.666 6.539 1.00 0.00 H new ATOM 0 HA MET A 42 -3.544 10.505 8.288 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.188 11.991 8.523 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.876 10.442 9.281 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.973 11.469 10.535 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.357 13.019 9.813 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.544 13.902 13.241 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.228 13.890 12.043 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.746 14.750 11.690 1.00 0.00 H new ATOM 581 N TRP A 43 -4.505 8.910 6.674 1.00 0.00 N ATOM 582 CA TRP A 43 -5.029 7.945 5.714 1.00 0.00 C ATOM 583 C TRP A 43 -6.173 7.140 6.320 1.00 0.00 C ATOM 584 O TRP A 43 -6.197 6.887 7.524 1.00 0.00 O ATOM 585 CB TRP A 43 -3.917 7.004 5.247 1.00 0.00 C ATOM 586 CG TRP A 43 -2.937 7.656 4.319 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.851 8.406 4.669 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.956 7.617 2.888 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.194 8.836 3.541 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.851 8.364 2.436 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.797 7.021 1.944 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.569 8.531 1.083 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.516 7.188 0.602 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.409 7.937 0.181 1.00 0.00 C ATOM 0 H TRP A 43 -3.714 8.573 7.222 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.413 8.496 4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.384 6.623 6.118 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.364 6.145 4.747 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.552 8.629 5.683 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.353 9.413 3.529 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.651 6.440 2.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.717 9.109 0.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.161 6.733 -0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.215 8.048 -0.876 1.00 0.00 H new ATOM 605 N PHE A 44 -7.120 6.740 5.478 1.00 0.00 N ATOM 606 CA PHE A 44 -8.268 5.963 5.931 1.00 0.00 C ATOM 607 C PHE A 44 -8.828 5.108 4.798 1.00 0.00 C ATOM 608 O PHE A 44 -9.178 5.620 3.734 1.00 0.00 O ATOM 609 CB PHE A 44 -9.357 6.892 6.471 1.00 0.00 C ATOM 610 CG PHE A 44 -8.930 7.680 7.676 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.007 7.128 8.945 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.452 8.973 7.541 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.615 7.850 10.056 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.057 9.700 8.648 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.140 9.138 9.907 1.00 0.00 C ATOM 0 H PHE A 44 -7.115 6.941 4.478 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.935 5.301 6.730 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.658 7.583 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.235 6.299 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.378 6.121 9.067 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.387 9.418 6.559 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.680 7.408 11.039 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.684 10.706 8.529 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.834 9.705 10.774 1.00 0.00 H new ATOM 625 N ARG A 45 -8.909 3.803 5.034 1.00 0.00 N ATOM 626 CA ARG A 45 -9.425 2.876 4.034 1.00 0.00 C ATOM 627 C ARG A 45 -10.908 2.600 4.262 1.00 0.00 C ATOM 628 O ARG A 45 -11.289 1.981 5.254 1.00 0.00 O ATOM 629 CB ARG A 45 -8.639 1.564 4.071 1.00 0.00 C ATOM 630 CG ARG A 45 -8.933 0.645 2.896 1.00 0.00 C ATOM 631 CD ARG A 45 -8.782 -0.818 3.282 1.00 0.00 C ATOM 632 NE ARG A 45 -9.574 -1.158 4.461 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.886 -1.367 4.430 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.549 -1.272 3.286 1.00 0.00 N ATOM 635 NH2 ARG A 45 -11.536 -1.672 5.546 1.00 0.00 N ATOM 0 H ARG A 45 -8.624 3.363 5.909 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.306 3.336 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.573 1.789 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.868 1.039 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.946 0.825 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.257 0.877 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.088 -1.447 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.732 -1.035 3.476 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.094 -1.239 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.052 -1.038 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.556 -1.433 3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.029 -1.746 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.543 -1.832 5.522 1.00 0.00 H new ATOM 649 N GLY A 46 -11.741 3.064 3.335 1.00 0.00 N ATOM 650 CA GLY A 46 -13.172 2.858 3.454 1.00 0.00 C ATOM 651 C GLY A 46 -13.902 4.106 3.910 1.00 0.00 C ATOM 652 O GLY A 46 -14.746 4.048 4.804 1.00 0.00 O ATOM 0 H GLY A 46 -11.450 3.579 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.571 2.539 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.362 2.051 4.161 1.00 0.00 H new ATOM 656 N ALA A 47 -13.575 5.239 3.296 1.00 0.00 N ATOM 657 CA ALA A 47 -14.205 6.506 3.645 1.00 0.00 C ATOM 658 C ALA A 47 -15.664 6.303 4.041 1.00 0.00 C ATOM 659 O ALA A 47 -16.355 5.451 3.485 1.00 0.00 O ATOM 660 CB ALA A 47 -14.103 7.483 2.483 1.00 0.00 C ATOM 0 H ALA A 47 -12.878 5.305 2.555 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.677 6.922 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.578 8.425 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.054 7.660 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.605 7.064 1.611 1.00 0.00 H new ATOM 690 N ARG A 51 -14.314 3.316 7.926 1.00 0.00 N ATOM 691 CA ARG A 51 -12.909 3.414 7.547 1.00 0.00 C ATOM 692 C ARG A 51 -12.003 3.141 8.744 1.00 0.00 C ATOM 693 O ARG A 51 -12.329 3.499 9.875 1.00 0.00 O ATOM 694 CB ARG A 51 -12.610 4.800 6.973 1.00 0.00 C ATOM 695 CG ARG A 51 -12.720 5.919 7.995 1.00 0.00 C ATOM 696 CD ARG A 51 -12.791 7.282 7.323 1.00 0.00 C ATOM 697 NE ARG A 51 -13.340 8.302 8.212 1.00 0.00 N ATOM 698 CZ ARG A 51 -13.105 9.602 8.073 1.00 0.00 C ATOM 699 NH1 ARG A 51 -12.336 10.038 7.084 1.00 0.00 N ATOM 700 NH2 ARG A 51 -13.641 10.470 8.922 1.00 0.00 N ATOM 0 HA ARG A 51 -12.710 2.661 6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.604 4.801 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.298 5.000 6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.609 5.768 8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.861 5.887 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.793 7.580 7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.407 7.213 6.427 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.937 8.000 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.924 9.375 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.157 11.037 6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.234 10.139 9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.459 11.468 8.814 1.00 0.00 H new ATOM 714 N GLU A 52 -10.865 2.504 8.485 1.00 0.00 N ATOM 715 CA GLU A 52 -9.913 2.183 9.542 1.00 0.00 C ATOM 716 C GLU A 52 -8.632 2.998 9.387 1.00 0.00 C ATOM 717 O GLU A 52 -7.923 2.878 8.387 1.00 0.00 O ATOM 718 CB GLU A 52 -9.584 0.688 9.525 1.00 0.00 C ATOM 719 CG GLU A 52 -8.609 0.267 10.611 1.00 0.00 C ATOM 720 CD GLU A 52 -8.759 -1.191 10.997 1.00 0.00 C ATOM 721 OE1 GLU A 52 -9.003 -2.021 10.096 1.00 0.00 O ATOM 722 OE2 GLU A 52 -8.634 -1.504 12.200 1.00 0.00 O ATOM 0 H GLU A 52 -10.580 2.201 7.554 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.371 2.437 10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.508 0.120 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.166 0.428 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.590 0.445 10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.762 0.890 11.492 1.00 0.00 H new ATOM 729 N LEU A 53 -8.343 3.828 10.383 1.00 0.00 N ATOM 730 CA LEU A 53 -7.148 4.665 10.359 1.00 0.00 C ATOM 731 C LEU A 53 -5.930 3.862 9.912 1.00 0.00 C ATOM 732 O LEU A 53 -5.555 2.878 10.550 1.00 0.00 O ATOM 733 CB LEU A 53 -6.896 5.268 11.742 1.00 0.00 C ATOM 734 CG LEU A 53 -5.602 6.068 11.900 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.581 7.243 10.935 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.446 6.551 13.334 1.00 0.00 C ATOM 0 H LEU A 53 -8.919 3.940 11.217 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.312 5.470 9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.734 5.919 11.991 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.892 4.460 12.473 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.762 5.415 11.664 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.653 7.801 11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.646 6.874 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.429 7.897 11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.520 7.118 13.428 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.290 7.188 13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.416 5.693 14.006 1.00 0.00 H new ATOM 748 N ILE A 54 -5.316 4.290 8.815 1.00 0.00 N ATOM 749 CA ILE A 54 -4.139 3.614 8.285 1.00 0.00 C ATOM 750 C ILE A 54 -2.857 4.287 8.762 1.00 0.00 C ATOM 751 O ILE A 54 -1.914 3.620 9.188 1.00 0.00 O ATOM 752 CB ILE A 54 -4.150 3.587 6.745 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.389 2.850 6.235 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.882 2.932 6.218 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.471 1.412 6.699 1.00 0.00 C ATOM 0 H ILE A 54 -5.614 5.103 8.275 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.169 2.590 8.658 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.185 4.613 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.281 3.382 6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.392 2.872 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.904 2.920 5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.013 3.496 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.819 1.910 6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.375 0.952 6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.598 0.865 6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.500 1.382 7.788 1.00 0.00 H new ATOM 767 N TYR A 55 -2.829 5.613 8.689 1.00 0.00 N ATOM 768 CA TYR A 55 -1.663 6.378 9.113 1.00 0.00 C ATOM 769 C TYR A 55 -2.076 7.730 9.685 1.00 0.00 C ATOM 770 O TYR A 55 -3.028 8.351 9.215 1.00 0.00 O ATOM 771 CB TYR A 55 -0.705 6.581 7.937 1.00 0.00 C ATOM 772 CG TYR A 55 0.538 7.363 8.296 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.525 6.806 9.100 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.725 8.659 7.833 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.662 7.517 9.432 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.859 9.378 8.158 1.00 0.00 C ATOM 777 CZ TYR A 55 2.825 8.802 8.958 1.00 0.00 C ATOM 778 OH TYR A 55 3.955 9.515 9.285 1.00 0.00 O ATOM 0 H TYR A 55 -3.601 6.181 8.340 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.155 5.813 9.895 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.411 5.607 7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.232 7.100 7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.401 5.800 9.472 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.030 9.113 7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.419 7.069 10.059 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.989 10.384 7.788 1.00 0.00 H new ATOM 0 HH TYR A 55 3.914 10.402 8.870 1.00 0.00 H new ATOM 788 N ASN A 56 -1.351 8.181 10.704 1.00 0.00 N ATOM 789 CA ASN A 56 -1.641 9.460 11.342 1.00 0.00 C ATOM 790 C ASN A 56 -0.364 10.268 11.547 1.00 0.00 C ATOM 791 O ASN A 56 0.520 9.868 12.305 1.00 0.00 O ATOM 792 CB ASN A 56 -2.337 9.236 12.686 1.00 0.00 C ATOM 793 CG ASN A 56 -3.276 10.371 13.047 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.464 10.156 13.290 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.746 11.588 13.083 1.00 0.00 N ATOM 0 H ASN A 56 -0.559 7.680 11.105 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.304 10.023 10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.897 8.302 12.651 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.585 9.127 13.468 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.329 12.391 13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.756 11.720 12.874 1.00 0.00 H new ATOM 802 N GLN A 57 -0.274 11.406 10.866 1.00 0.00 N ATOM 803 CA GLN A 57 0.895 12.270 10.973 1.00 0.00 C ATOM 804 C GLN A 57 1.000 12.873 12.370 1.00 0.00 C ATOM 805 O GLN A 57 2.005 12.699 13.059 1.00 0.00 O ATOM 806 CB GLN A 57 0.830 13.384 9.927 1.00 0.00 C ATOM 807 CG GLN A 57 2.194 13.918 9.521 1.00 0.00 C ATOM 808 CD GLN A 57 2.103 15.185 8.694 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.010 15.668 8.396 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.253 15.731 8.318 1.00 0.00 N ATOM 0 H GLN A 57 -0.997 11.751 10.234 1.00 0.00 H new ATOM 0 HA GLN A 57 1.782 11.663 10.792 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.317 13.010 9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.230 14.205 10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.784 14.115 10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.724 13.154 8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.136 15.297 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.254 16.585 7.760 1.00 0.00 H new ATOM 819 N LYS A 58 -0.044 13.584 12.782 1.00 0.00 N ATOM 820 CA LYS A 58 -0.071 14.213 14.097 1.00 0.00 C ATOM 821 C LYS A 58 0.670 13.361 15.123 1.00 0.00 C ATOM 822 O LYS A 58 1.600 13.831 15.777 1.00 0.00 O ATOM 823 CB LYS A 58 -1.516 14.434 14.550 1.00 0.00 C ATOM 824 CG LYS A 58 -1.638 14.893 15.992 1.00 0.00 C ATOM 825 CD LYS A 58 -1.542 16.405 16.106 1.00 0.00 C ATOM 826 CE LYS A 58 -0.103 16.859 16.303 1.00 0.00 C ATOM 827 NZ LYS A 58 -0.012 18.326 16.542 1.00 0.00 N ATOM 0 H LYS A 58 -0.883 13.739 12.224 1.00 0.00 H new ATOM 0 HA LYS A 58 0.431 15.178 14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.982 15.175 13.901 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.073 13.506 14.425 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.590 14.556 16.403 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.852 14.432 16.589 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.950 16.865 15.206 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.150 16.747 16.943 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.334 16.326 17.147 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.484 16.597 15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.984 18.596 16.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.405 18.836 15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.551 18.573 17.397 1.00 0.00 H new ATOM 841 N GLU A 59 0.251 12.106 15.257 1.00 0.00 N ATOM 842 CA GLU A 59 0.877 11.190 16.203 1.00 0.00 C ATOM 843 C GLU A 59 0.313 9.780 16.050 1.00 0.00 C ATOM 844 O GLU A 59 -0.740 9.584 15.444 1.00 0.00 O ATOM 845 CB GLU A 59 0.668 11.681 17.637 1.00 0.00 C ATOM 846 CG GLU A 59 -0.795 11.829 18.023 1.00 0.00 C ATOM 847 CD GLU A 59 -1.000 11.873 19.525 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.121 10.791 20.138 1.00 0.00 O ATOM 849 OE2 GLU A 59 -1.040 12.987 20.086 1.00 0.00 O ATOM 0 H GLU A 59 -0.518 11.701 14.723 1.00 0.00 H new ATOM 0 HA GLU A 59 1.945 11.161 15.988 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.148 10.984 18.324 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.166 12.643 17.759 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.194 12.741 17.579 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.363 10.997 17.607 1.00 0.00 H new ATOM 856 N GLY A 60 1.023 8.802 16.603 1.00 0.00 N ATOM 857 CA GLY A 60 0.578 7.423 16.516 1.00 0.00 C ATOM 858 C GLY A 60 1.693 6.480 16.109 1.00 0.00 C ATOM 859 O GLY A 60 2.380 6.712 15.113 1.00 0.00 O ATOM 0 H GLY A 60 1.898 8.939 17.109 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.177 7.112 17.481 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.236 7.352 15.794 1.00 0.00 H new ATOM 863 N HIS A 61 1.874 5.412 16.880 1.00 0.00 N ATOM 864 CA HIS A 61 2.915 4.430 16.594 1.00 0.00 C ATOM 865 C HIS A 61 2.560 3.608 15.359 1.00 0.00 C ATOM 866 O HIS A 61 1.650 2.780 15.392 1.00 0.00 O ATOM 867 CB HIS A 61 3.118 3.507 17.795 1.00 0.00 C ATOM 868 CG HIS A 61 4.072 2.383 17.532 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.346 2.576 17.042 1.00 0.00 N ATOM 870 CD2 HIS A 61 3.931 1.046 17.695 1.00 0.00 C ATOM 871 CE1 HIS A 61 5.948 1.407 16.913 1.00 0.00 C ATOM 872 NE2 HIS A 61 5.111 0.462 17.303 1.00 0.00 N ATOM 0 H HIS A 61 1.314 5.204 17.707 1.00 0.00 H new ATOM 0 HA HIS A 61 3.843 4.966 16.397 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.485 4.095 18.636 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.154 3.093 18.092 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.054 0.534 18.064 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.953 1.251 16.550 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.309 -0.539 17.312 1.00 0.00 H new ATOM 881 N PHE A 62 3.285 3.842 14.270 1.00 0.00 N ATOM 882 CA PHE A 62 3.046 3.124 13.023 1.00 0.00 C ATOM 883 C PHE A 62 4.354 2.596 12.441 1.00 0.00 C ATOM 884 O PHE A 62 4.939 3.182 11.530 1.00 0.00 O ATOM 885 CB PHE A 62 2.355 4.037 12.009 1.00 0.00 C ATOM 886 CG PHE A 62 0.939 4.379 12.377 1.00 0.00 C ATOM 887 CD1 PHE A 62 -0.088 3.479 12.142 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.635 5.599 12.957 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.392 3.791 12.479 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.666 5.917 13.297 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.681 5.011 13.059 1.00 0.00 C ATOM 0 H PHE A 62 4.043 4.523 14.226 1.00 0.00 H new ATOM 0 HA PHE A 62 2.396 2.276 13.239 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.929 4.958 11.911 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.361 3.553 11.033 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.133 2.523 11.691 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.425 6.311 13.146 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.184 3.082 12.289 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.889 6.873 13.748 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.698 5.256 13.326 1.00 0.00 H new ATOM 901 N PRO A 63 4.824 1.460 12.978 1.00 0.00 N ATOM 902 CA PRO A 63 6.067 0.827 12.528 1.00 0.00 C ATOM 903 C PRO A 63 5.940 0.228 11.132 1.00 0.00 C ATOM 904 O PRO A 63 6.915 0.163 10.383 1.00 0.00 O ATOM 905 CB PRO A 63 6.299 -0.276 13.564 1.00 0.00 C ATOM 906 CG PRO A 63 4.942 -0.588 14.095 1.00 0.00 C ATOM 907 CD PRO A 63 4.179 0.707 14.067 1.00 0.00 C ATOM 0 HA PRO A 63 6.886 1.543 12.457 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.759 -1.154 13.111 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.967 0.060 14.357 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.449 -1.345 13.485 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.001 -0.984 15.109 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.119 0.545 13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.250 1.236 15.018 1.00 0.00 H new ATOM 915 N ARG A 64 4.732 -0.207 10.787 1.00 0.00 N ATOM 916 CA ARG A 64 4.478 -0.801 9.480 1.00 0.00 C ATOM 917 C ARG A 64 4.588 0.246 8.376 1.00 0.00 C ATOM 918 O ARG A 64 5.099 -0.031 7.291 1.00 0.00 O ATOM 919 CB ARG A 64 3.092 -1.446 9.450 1.00 0.00 C ATOM 920 CG ARG A 64 3.067 -2.863 9.999 1.00 0.00 C ATOM 921 CD ARG A 64 2.763 -2.878 11.490 1.00 0.00 C ATOM 922 NE ARG A 64 1.448 -2.318 11.786 1.00 0.00 N ATOM 923 CZ ARG A 64 0.819 -2.490 12.943 1.00 0.00 C ATOM 924 NH1 ARG A 64 1.384 -3.204 13.908 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.376 -1.949 13.138 1.00 0.00 N ATOM 0 H ARG A 64 3.914 -0.159 11.395 1.00 0.00 H new ATOM 0 HA ARG A 64 5.232 -1.568 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.402 -0.830 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.728 -1.457 8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.316 -3.447 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.029 -3.342 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.812 -3.902 11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.527 -2.310 12.021 1.00 0.00 H new ATOM 0 HE ARG A 64 0.987 -1.764 11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.303 -3.622 13.762 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.899 -3.335 14.796 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.814 -1.400 12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.857 -2.082 14.027 1.00 0.00 H new ATOM 939 N VAL A 65 4.104 1.451 8.661 1.00 0.00 N ATOM 940 CA VAL A 65 4.148 2.541 7.693 1.00 0.00 C ATOM 941 C VAL A 65 5.496 3.251 7.726 1.00 0.00 C ATOM 942 O VAL A 65 5.964 3.671 8.784 1.00 0.00 O ATOM 943 CB VAL A 65 3.032 3.569 7.954 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.009 4.624 6.858 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.683 2.875 8.065 1.00 0.00 C ATOM 0 H VAL A 65 3.677 1.697 9.554 1.00 0.00 H new ATOM 0 HA VAL A 65 3.999 2.096 6.709 1.00 0.00 H new ATOM 0 HB VAL A 65 3.237 4.068 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.214 5.341 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.967 5.143 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.829 4.145 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.906 3.617 8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.468 2.348 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.707 2.162 8.889 1.00 0.00 H new ATOM 955 N THR A 66 6.118 3.383 6.558 1.00 0.00 N ATOM 956 CA THR A 66 7.414 4.042 6.452 1.00 0.00 C ATOM 957 C THR A 66 7.345 5.243 5.515 1.00 0.00 C ATOM 958 O THR A 66 7.391 5.094 4.294 1.00 0.00 O ATOM 959 CB THR A 66 8.498 3.072 5.946 1.00 0.00 C ATOM 960 OG1 THR A 66 8.693 2.017 6.895 1.00 0.00 O ATOM 961 CG2 THR A 66 9.812 3.802 5.714 1.00 0.00 C ATOM 0 H THR A 66 5.745 3.042 5.672 1.00 0.00 H new ATOM 0 HA THR A 66 7.679 4.381 7.454 1.00 0.00 H new ATOM 0 HB THR A 66 8.163 2.650 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.382 1.404 6.565 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.562 3.096 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.667 4.585 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.150 4.249 6.649 1.00 0.00 H new ATOM 969 N THR A 67 7.236 6.434 6.095 1.00 0.00 N ATOM 970 CA THR A 67 7.161 7.661 5.312 1.00 0.00 C ATOM 971 C THR A 67 8.215 7.675 4.210 1.00 0.00 C ATOM 972 O THR A 67 9.413 7.741 4.484 1.00 0.00 O ATOM 973 CB THR A 67 7.345 8.906 6.199 1.00 0.00 C ATOM 974 OG1 THR A 67 8.470 8.727 7.067 1.00 0.00 O ATOM 975 CG2 THR A 67 6.097 9.171 7.027 1.00 0.00 C ATOM 0 H THR A 67 7.198 6.575 7.105 1.00 0.00 H new ATOM 0 HA THR A 67 6.169 7.689 4.862 1.00 0.00 H new ATOM 0 HB THR A 67 7.520 9.764 5.550 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.191 8.277 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.252 10.055 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.248 9.336 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.896 8.312 7.667 1.00 0.00 H new ATOM 983 N VAL A 68 7.760 7.615 2.962 1.00 0.00 N ATOM 984 CA VAL A 68 8.664 7.623 1.818 1.00 0.00 C ATOM 985 C VAL A 68 9.622 8.808 1.883 1.00 0.00 C ATOM 986 O VAL A 68 10.839 8.641 1.803 1.00 0.00 O ATOM 987 CB VAL A 68 7.888 7.677 0.489 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.829 7.970 -0.668 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.136 6.374 0.259 1.00 0.00 C ATOM 0 H VAL A 68 6.771 7.560 2.718 1.00 0.00 H new ATOM 0 HA VAL A 68 9.234 6.695 1.859 1.00 0.00 H new ATOM 0 HB VAL A 68 7.160 8.486 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.262 8.004 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.318 8.931 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.583 7.186 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.593 6.429 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.845 5.547 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.431 6.212 1.074 1.00 0.00 H new ATOM 999 N SER A 69 9.064 10.005 2.029 1.00 0.00 N ATOM 1000 CA SER A 69 9.868 11.219 2.102 1.00 0.00 C ATOM 1001 C SER A 69 9.826 11.816 3.505 1.00 0.00 C ATOM 1002 O SER A 69 8.919 11.529 4.285 1.00 0.00 O ATOM 1003 CB SER A 69 9.371 12.247 1.083 1.00 0.00 C ATOM 1004 OG SER A 69 9.992 12.057 -0.177 1.00 0.00 O ATOM 0 H SER A 69 8.058 10.160 2.099 1.00 0.00 H new ATOM 0 HA SER A 69 10.900 10.956 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.290 12.164 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.578 13.254 1.446 1.00 0.00 H new ATOM 0 HG SER A 69 9.657 12.725 -0.811 1.00 0.00 H new ATOM 1010 N GLU A 70 10.814 12.649 3.817 1.00 0.00 N ATOM 1011 CA GLU A 70 10.890 13.285 5.127 1.00 0.00 C ATOM 1012 C GLU A 70 9.795 14.336 5.285 1.00 0.00 C ATOM 1013 O GLU A 70 9.608 15.190 4.418 1.00 0.00 O ATOM 1014 CB GLU A 70 12.264 13.930 5.326 1.00 0.00 C ATOM 1015 CG GLU A 70 12.397 14.685 6.638 1.00 0.00 C ATOM 1016 CD GLU A 70 13.817 14.681 7.171 1.00 0.00 C ATOM 1017 OE1 GLU A 70 14.672 15.381 6.590 1.00 0.00 O ATOM 1018 OE2 GLU A 70 14.072 13.977 8.171 1.00 0.00 O ATOM 0 H GLU A 70 11.572 12.899 3.182 1.00 0.00 H new ATOM 0 HA GLU A 70 10.744 12.516 5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.030 13.155 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.457 14.615 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.069 15.715 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.733 14.239 7.379 1.00 0.00 H new ATOM 1025 N LEU A 71 9.074 14.267 6.399 1.00 0.00 N ATOM 1026 CA LEU A 71 7.996 15.211 6.672 1.00 0.00 C ATOM 1027 C LEU A 71 8.512 16.414 7.457 1.00 0.00 C ATOM 1028 O LEU A 71 8.080 17.545 7.234 1.00 0.00 O ATOM 1029 CB LEU A 71 6.874 14.523 7.451 1.00 0.00 C ATOM 1030 CG LEU A 71 6.331 13.229 6.844 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.350 12.563 7.796 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.670 13.506 5.502 1.00 0.00 C ATOM 0 H LEU A 71 9.216 13.567 7.127 1.00 0.00 H new ATOM 0 HA LEU A 71 7.604 15.563 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.237 14.305 8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.048 15.226 7.556 1.00 0.00 H new ATOM 0 HG LEU A 71 7.166 12.548 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.974 11.644 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.855 12.329 8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.517 13.238 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.289 12.574 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.845 14.205 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.401 13.938 4.819 1.00 0.00 H new ATOM 1118 N ASN A 76 7.027 20.414 2.649 1.00 0.00 N ATOM 1119 CA ASN A 76 7.032 19.028 2.193 1.00 0.00 C ATOM 1120 C ASN A 76 5.642 18.602 1.732 1.00 0.00 C ATOM 1121 O ASN A 76 4.817 18.163 2.534 1.00 0.00 O ATOM 1122 CB ASN A 76 7.517 18.104 3.311 1.00 0.00 C ATOM 1123 CG ASN A 76 7.979 16.757 2.788 1.00 0.00 C ATOM 1124 OD1 ASN A 76 9.073 16.634 2.238 1.00 0.00 O ATOM 1125 ND2 ASN A 76 7.144 15.739 2.957 1.00 0.00 N ATOM 0 HA ASN A 76 7.715 18.952 1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.337 18.584 3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.712 17.955 4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.400 14.809 2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.247 15.887 3.419 1.00 0.00 H new ATOM 1132 N LEU A 77 5.389 18.733 0.434 1.00 0.00 N ATOM 1133 CA LEU A 77 4.098 18.360 -0.135 1.00 0.00 C ATOM 1134 C LEU A 77 3.956 16.844 -0.215 1.00 0.00 C ATOM 1135 O LEU A 77 2.914 16.289 0.133 1.00 0.00 O ATOM 1136 CB LEU A 77 3.937 18.973 -1.527 1.00 0.00 C ATOM 1137 CG LEU A 77 3.803 20.496 -1.578 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.784 20.982 -3.019 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.547 20.946 -0.846 1.00 0.00 C ATOM 0 H LEU A 77 6.060 19.094 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 77 3.315 18.745 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.797 18.683 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.056 18.535 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 77 4.667 20.934 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.688 22.068 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.711 20.692 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.939 20.535 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.468 22.032 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.672 20.498 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.600 20.631 0.196 1.00 0.00 H new ATOM 1151 N ASP A 78 5.011 16.179 -0.674 1.00 0.00 N ATOM 1152 CA ASP A 78 5.005 14.726 -0.797 1.00 0.00 C ATOM 1153 C ASP A 78 4.544 14.073 0.502 1.00 0.00 C ATOM 1154 O ASP A 78 5.216 14.166 1.529 1.00 0.00 O ATOM 1155 CB ASP A 78 6.399 14.219 -1.170 1.00 0.00 C ATOM 1156 CG ASP A 78 6.373 12.806 -1.720 1.00 0.00 C ATOM 1157 OD1 ASP A 78 6.263 11.859 -0.915 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.463 12.648 -2.956 1.00 0.00 O ATOM 0 H ASP A 78 5.881 16.623 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 78 4.305 14.456 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.839 14.886 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.042 14.252 -0.290 1.00 0.00 H new ATOM 1163 N PHE A 79 3.392 13.412 0.450 1.00 0.00 N ATOM 1164 CA PHE A 79 2.839 12.745 1.623 1.00 0.00 C ATOM 1165 C PHE A 79 2.683 11.248 1.373 1.00 0.00 C ATOM 1166 O PHE A 79 1.835 10.592 1.978 1.00 0.00 O ATOM 1167 CB PHE A 79 1.486 13.356 1.993 1.00 0.00 C ATOM 1168 CG PHE A 79 1.584 14.765 2.502 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.278 15.048 3.667 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.982 15.808 1.815 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.369 16.345 4.138 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.070 17.106 2.281 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.765 17.375 3.444 1.00 0.00 C ATOM 0 H PHE A 79 2.823 13.324 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 79 3.532 12.887 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.837 13.339 1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.012 12.736 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.753 14.247 4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.438 15.604 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.912 16.552 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.596 17.909 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.836 18.389 3.810 1.00 0.00 H new ATOM 1183 N SER A 80 3.507 10.714 0.478 1.00 0.00 N ATOM 1184 CA SER A 80 3.459 9.295 0.145 1.00 0.00 C ATOM 1185 C SER A 80 3.938 8.445 1.317 1.00 0.00 C ATOM 1186 O SER A 80 4.809 8.859 2.083 1.00 0.00 O ATOM 1187 CB SER A 80 4.316 9.010 -1.090 1.00 0.00 C ATOM 1188 OG SER A 80 4.353 10.132 -1.955 1.00 0.00 O ATOM 0 H SER A 80 4.216 11.242 -0.030 1.00 0.00 H new ATOM 0 HA SER A 80 2.423 9.033 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.329 8.751 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.915 8.148 -1.624 1.00 0.00 H new ATOM 0 HG SER A 80 5.090 10.723 -1.693 1.00 0.00 H new ATOM 1194 N ILE A 81 3.362 7.254 1.451 1.00 0.00 N ATOM 1195 CA ILE A 81 3.731 6.345 2.529 1.00 0.00 C ATOM 1196 C ILE A 81 3.841 4.910 2.024 1.00 0.00 C ATOM 1197 O ILE A 81 3.320 4.574 0.961 1.00 0.00 O ATOM 1198 CB ILE A 81 2.710 6.395 3.681 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.290 6.210 3.141 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.828 7.710 4.437 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.335 5.607 4.147 1.00 0.00 C ATOM 0 H ILE A 81 2.639 6.897 0.827 1.00 0.00 H new ATOM 0 HA ILE A 81 4.702 6.673 2.900 1.00 0.00 H new ATOM 0 HB ILE A 81 2.925 5.581 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.903 7.177 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.326 5.572 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.100 7.730 5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.833 7.804 4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.636 8.539 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.652 5.505 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.698 4.625 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.269 6.256 5.021 1.00 0.00 H new ATOM 1213 N SER A 82 4.522 4.068 2.795 1.00 0.00 N ATOM 1214 CA SER A 82 4.703 2.669 2.425 1.00 0.00 C ATOM 1215 C SER A 82 4.356 1.750 3.592 1.00 0.00 C ATOM 1216 O SER A 82 5.081 1.690 4.585 1.00 0.00 O ATOM 1217 CB SER A 82 6.144 2.421 1.975 1.00 0.00 C ATOM 1218 OG SER A 82 7.064 2.771 2.995 1.00 0.00 O ATOM 0 H SER A 82 4.957 4.330 3.679 1.00 0.00 H new ATOM 0 HA SER A 82 4.029 2.447 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.270 1.371 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.353 3.002 1.077 1.00 0.00 H new ATOM 0 HG SER A 82 6.966 3.722 3.212 1.00 0.00 H new ATOM 1224 N ILE A 83 3.243 1.036 3.464 1.00 0.00 N ATOM 1225 CA ILE A 83 2.801 0.118 4.506 1.00 0.00 C ATOM 1226 C ILE A 83 3.373 -1.278 4.289 1.00 0.00 C ATOM 1227 O ILE A 83 2.945 -2.003 3.391 1.00 0.00 O ATOM 1228 CB ILE A 83 1.264 0.028 4.562 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.649 1.429 4.554 1.00 0.00 C ATOM 1230 CG2 ILE A 83 0.823 -0.743 5.796 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.743 1.475 3.964 1.00 0.00 C ATOM 0 H ILE A 83 2.631 1.076 2.649 1.00 0.00 H new ATOM 0 HA ILE A 83 3.169 0.515 5.452 1.00 0.00 H new ATOM 0 HB ILE A 83 0.914 -0.507 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.614 1.808 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.297 2.098 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.265 -0.798 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.236 -1.751 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.181 -0.234 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.116 2.499 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.712 1.127 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.405 0.832 4.544 1.00 0.00 H new ATOM 1243 N SER A 84 4.342 -1.651 5.120 1.00 0.00 N ATOM 1244 CA SER A 84 4.975 -2.960 5.018 1.00 0.00 C ATOM 1245 C SER A 84 4.110 -4.034 5.672 1.00 0.00 C ATOM 1246 O SER A 84 3.234 -3.732 6.481 1.00 0.00 O ATOM 1247 CB SER A 84 6.358 -2.934 5.671 1.00 0.00 C ATOM 1248 OG SER A 84 6.888 -4.243 5.794 1.00 0.00 O ATOM 0 H SER A 84 4.705 -1.064 5.871 1.00 0.00 H new ATOM 0 HA SER A 84 5.086 -3.201 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.033 -2.319 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.290 -2.472 6.656 1.00 0.00 H new ATOM 0 HG SER A 84 7.773 -4.200 6.213 1.00 0.00 H new ATOM 1254 N ASN A 85 4.365 -5.289 5.315 1.00 0.00 N ATOM 1255 CA ASN A 85 3.610 -6.408 5.867 1.00 0.00 C ATOM 1256 C ASN A 85 2.145 -6.334 5.449 1.00 0.00 C ATOM 1257 O ASN A 85 1.245 -6.452 6.282 1.00 0.00 O ATOM 1258 CB ASN A 85 3.718 -6.420 7.393 1.00 0.00 C ATOM 1259 CG ASN A 85 3.037 -7.626 8.011 1.00 0.00 C ATOM 1260 OD1 ASN A 85 1.996 -7.503 8.655 1.00 0.00 O ATOM 1261 ND2 ASN A 85 3.625 -8.801 7.816 1.00 0.00 N ATOM 0 H ASN A 85 5.088 -5.556 4.647 1.00 0.00 H new ATOM 0 HA ASN A 85 4.035 -7.331 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.769 -6.413 7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.272 -5.509 7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.214 -9.648 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.488 -8.856 7.275 1.00 0.00 H new ATOM 1268 N ILE A 86 1.913 -6.139 4.156 1.00 0.00 N ATOM 1269 CA ILE A 86 0.557 -6.052 3.628 1.00 0.00 C ATOM 1270 C ILE A 86 -0.218 -7.340 3.886 1.00 0.00 C ATOM 1271 O ILE A 86 0.347 -8.434 3.855 1.00 0.00 O ATOM 1272 CB ILE A 86 0.559 -5.761 2.116 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.972 -4.312 1.853 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.812 -6.043 1.520 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.044 -3.298 2.330 1.00 0.00 C ATOM 0 H ILE A 86 2.646 -6.038 3.454 1.00 0.00 H new ATOM 0 HA ILE A 86 0.069 -5.227 4.148 1.00 0.00 H new ATOM 0 HB ILE A 86 1.284 -6.418 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.925 -4.119 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.133 -4.177 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.794 -5.832 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.070 -7.090 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.556 -5.409 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.315 -2.292 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.992 -3.464 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.188 -3.405 3.405 1.00 0.00 H new ATOM 1287 N THR A 87 -1.516 -7.203 4.138 1.00 0.00 N ATOM 1288 CA THR A 87 -2.369 -8.356 4.400 1.00 0.00 C ATOM 1289 C THR A 87 -3.560 -8.386 3.449 1.00 0.00 C ATOM 1290 O THR A 87 -4.017 -7.355 2.955 1.00 0.00 O ATOM 1291 CB THR A 87 -2.885 -8.354 5.851 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.585 -7.134 6.121 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.736 -8.513 6.835 1.00 0.00 C ATOM 0 H THR A 87 -2.000 -6.305 4.166 1.00 0.00 H new ATOM 0 HA THR A 87 -1.758 -9.244 4.241 1.00 0.00 H new ATOM 0 HB THR A 87 -3.565 -9.197 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.965 -6.479 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.126 -8.509 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.224 -9.456 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.034 -7.688 6.711 1.00 0.00 H new ATOM 1301 N PRO A 88 -4.077 -9.595 3.185 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.223 -9.788 2.292 1.00 0.00 C ATOM 1303 C PRO A 88 -6.520 -9.256 2.890 1.00 0.00 C ATOM 1304 O PRO A 88 -7.548 -9.198 2.216 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.293 -11.309 2.129 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.654 -11.852 3.360 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.582 -10.867 3.739 1.00 0.00 C ATOM 0 HA PRO A 88 -5.102 -9.250 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.324 -11.650 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.766 -11.636 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.384 -11.963 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.230 -12.839 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.451 -10.811 4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.616 -11.141 3.315 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.465 -8.867 4.160 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.636 -8.337 4.848 1.00 0.00 C ATOM 1317 C ALA A 89 -7.585 -6.815 4.925 1.00 0.00 C ATOM 1318 O ALA A 89 -8.544 -6.173 5.353 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.743 -8.935 6.243 1.00 0.00 C ATOM 0 H ALA A 89 -5.622 -8.909 4.733 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.521 -8.616 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.622 -8.531 6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.834 -10.019 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.850 -8.685 6.816 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.460 -6.244 4.509 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.284 -4.796 4.530 1.00 0.00 C ATOM 1327 C ASP A 90 -6.658 -4.183 3.184 1.00 0.00 C ATOM 1328 O ASP A 90 -6.818 -2.969 3.067 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.839 -4.442 4.883 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.631 -4.276 6.375 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.468 -3.611 7.020 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.630 -4.811 6.898 1.00 0.00 O ATOM 0 H ASP A 90 -5.656 -6.761 4.153 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.947 -4.385 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.176 -5.223 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.560 -3.519 4.375 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.794 -5.032 2.171 1.00 0.00 N ATOM 1338 CA ALA A 91 -7.149 -4.574 0.833 1.00 0.00 C ATOM 1339 C ALA A 91 -8.391 -3.690 0.868 1.00 0.00 C ATOM 1340 O ALA A 91 -9.049 -3.568 1.899 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.371 -5.763 -0.090 1.00 0.00 C ATOM 0 H ALA A 91 -6.664 -6.040 2.251 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.321 -3.979 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.635 -5.406 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.457 -6.355 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.180 -6.381 0.301 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.704 -3.073 -0.268 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.866 -2.207 -0.345 1.00 0.00 C ATOM 1349 C GLY A 92 -9.585 -0.927 -1.107 1.00 0.00 C ATOM 1350 O GLY A 92 -9.379 -0.950 -2.322 1.00 0.00 O ATOM 0 H GLY A 92 -8.174 -3.158 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.683 -2.742 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.199 -1.960 0.663 1.00 0.00 H new ATOM 1354 N THR A 93 -9.577 0.195 -0.394 1.00 0.00 N ATOM 1355 CA THR A 93 -9.322 1.491 -1.011 1.00 0.00 C ATOM 1356 C THR A 93 -8.872 2.514 0.025 1.00 0.00 C ATOM 1357 O THR A 93 -9.622 2.859 0.938 1.00 0.00 O ATOM 1358 CB THR A 93 -10.574 2.026 -1.733 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.341 0.935 -2.256 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.186 2.967 -2.863 1.00 0.00 C ATOM 0 H THR A 93 -9.744 0.232 0.612 1.00 0.00 H new ATOM 0 HA THR A 93 -8.526 1.342 -1.741 1.00 0.00 H new ATOM 0 HB THR A 93 -11.175 2.579 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 93 -12.136 1.283 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.086 3.332 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.627 3.811 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.566 2.434 -3.584 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.643 2.997 -0.123 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.092 3.980 0.802 1.00 0.00 C ATOM 1370 C TYR A 94 -7.281 5.396 0.268 1.00 0.00 C ATOM 1371 O TYR A 94 -6.747 5.752 -0.783 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.606 3.708 1.043 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.328 2.344 1.634 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.689 1.185 0.958 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.705 2.215 2.870 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.438 -0.063 1.496 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.448 0.971 3.413 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.817 -0.164 2.723 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.564 -1.405 3.262 1.00 0.00 O ATOM 0 H TYR A 94 -7.010 2.724 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.628 3.893 1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.070 3.801 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.209 4.472 1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.174 1.261 -0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.417 3.102 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.727 -0.954 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.961 0.888 4.373 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.401 -1.911 3.325 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.044 6.200 1.000 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.306 7.578 0.601 1.00 0.00 C ATOM 1391 C TYR A 95 -7.470 8.553 1.425 1.00 0.00 C ATOM 1392 O TYR A 95 -7.607 8.628 2.646 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.792 7.903 0.760 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.706 6.907 0.082 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.049 5.713 0.704 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.226 7.161 -1.182 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.882 4.800 0.088 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.062 6.254 -1.805 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.386 5.075 -1.167 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.218 4.169 -1.783 1.00 0.00 O ATOM 0 H TYR A 95 -8.492 5.921 1.873 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.027 7.685 -0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.035 7.942 1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -9.984 8.896 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.657 5.495 1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.972 8.082 -1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.138 3.876 0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.460 6.467 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.486 4.514 -2.660 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.604 9.298 0.747 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.744 10.269 1.413 1.00 0.00 C ATOM 1412 C CYS A 96 -6.547 11.485 1.867 1.00 0.00 C ATOM 1413 O CYS A 96 -6.849 12.375 1.072 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.616 10.709 0.479 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.077 11.170 1.336 1.00 0.00 S ATOM 0 H CYS A 96 -6.479 9.248 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.312 9.791 2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.402 9.901 -0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.959 11.559 -0.112 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.890 11.515 3.151 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.656 12.622 3.712 1.00 0.00 C ATOM 1422 C VAL A 97 -6.739 13.753 4.162 1.00 0.00 C ATOM 1423 O VAL A 97 -5.799 13.539 4.927 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.511 12.163 4.908 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.194 13.353 5.565 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.534 11.128 4.466 1.00 0.00 C ATOM 0 H VAL A 97 -6.650 10.786 3.822 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.314 12.984 2.922 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.854 11.700 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.793 13.009 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.440 14.056 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.839 13.849 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.129 10.815 5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.188 11.563 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.019 10.263 4.047 1.00 0.00 H new ATOM 1436 N LYS A 98 -7.019 14.960 3.682 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.221 16.129 4.034 1.00 0.00 C ATOM 1438 C LYS A 98 -6.880 16.918 5.161 1.00 0.00 C ATOM 1439 O LYS A 98 -7.646 17.850 4.914 1.00 0.00 O ATOM 1440 CB LYS A 98 -6.029 17.029 2.812 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.367 18.358 3.133 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.918 18.173 3.551 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.380 19.407 4.258 1.00 0.00 C ATOM 1444 NZ LYS A 98 -1.903 19.530 4.113 1.00 0.00 N ATOM 0 H LYS A 98 -7.793 15.154 3.047 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.247 15.782 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.425 16.501 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.000 17.218 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.414 19.009 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.916 18.855 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.836 17.310 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.309 17.961 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.860 20.297 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.638 19.361 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.461 19.535 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.540 18.725 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.675 20.417 3.619 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.577 16.539 6.398 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.140 17.212 7.563 1.00 0.00 C ATOM 1460 C PHE A 99 -6.579 18.625 7.699 1.00 0.00 C ATOM 1461 O PHE A 99 -5.367 18.831 7.637 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.847 16.411 8.833 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.931 15.434 9.189 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.941 14.161 8.642 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.939 15.789 10.070 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.937 13.259 8.968 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.938 14.892 10.400 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.937 13.626 9.847 1.00 0.00 C ATOM 0 H PHE A 99 -5.945 15.770 6.620 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.219 17.280 7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.910 15.870 8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.704 17.102 9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.162 13.870 7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.945 16.778 10.504 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.933 12.269 8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.718 15.181 11.089 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.717 12.924 10.102 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.470 19.594 7.884 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.065 20.987 8.026 1.00 0.00 C ATOM 1480 C ARG A 100 -6.886 21.353 9.497 1.00 0.00 C ATOM 1481 O ARG A 100 -7.707 20.995 10.342 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.102 21.910 7.383 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.360 22.087 8.217 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.328 23.061 7.563 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.330 23.552 8.506 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.139 24.575 8.252 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.065 25.210 7.091 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.025 24.963 9.161 1.00 0.00 N ATOM 0 H ARG A 100 -8.477 19.440 7.939 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.109 21.115 7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.650 22.887 7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.377 21.510 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.848 21.122 8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.092 22.449 9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.772 23.904 7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.826 22.571 6.727 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.413 23.084 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.386 24.914 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.687 25.995 6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.085 24.476 10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -13.646 25.748 8.965 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.806 22.067 9.796 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.518 22.483 11.163 1.00 0.00 C ATOM 1504 C LYS A 101 -6.676 23.289 11.743 1.00 0.00 C ATOM 1505 O LYS A 101 -6.951 24.404 11.302 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.233 23.314 11.205 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.474 23.194 12.515 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.363 24.227 12.613 1.00 0.00 C ATOM 1509 CE LYS A 101 -2.921 25.641 12.665 1.00 0.00 C ATOM 1510 NZ LYS A 101 -1.962 26.593 13.290 1.00 0.00 N ATOM 0 H LYS A 101 -5.115 22.370 9.109 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.384 21.586 11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.582 23.003 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.482 24.361 11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.164 23.320 13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.050 22.193 12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.766 24.037 13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.697 24.129 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.158 25.975 11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.854 25.643 13.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.379 27.545 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.755 26.289 14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.081 26.611 12.738 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.352 22.716 12.735 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.471 23.397 13.359 1.00 0.00 C ATOM 1526 C GLY A 102 -8.504 23.200 14.861 1.00 0.00 C ATOM 1527 O GLY A 102 -7.565 22.658 15.444 1.00 0.00 O ATOM 0 H GLY A 102 -7.144 21.793 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.414 24.463 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.402 23.031 12.927 1.00 0.00 H new ATOM 1531 N SER A 103 -9.587 23.644 15.491 1.00 0.00 N ATOM 1532 CA SER A 103 -9.736 23.520 16.936 1.00 0.00 C ATOM 1533 C SER A 103 -11.160 23.110 17.303 1.00 0.00 C ATOM 1534 O SER A 103 -12.126 23.454 16.621 1.00 0.00 O ATOM 1535 CB SER A 103 -9.380 24.840 17.623 1.00 0.00 C ATOM 1536 OG SER A 103 -9.954 24.913 18.917 1.00 0.00 O ATOM 0 H SER A 103 -10.374 24.093 15.023 1.00 0.00 H new ATOM 0 HA SER A 103 -9.053 22.744 17.281 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.297 24.935 17.697 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.733 25.675 17.018 1.00 0.00 H new ATOM 0 HG SER A 103 -9.710 25.765 19.335 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.293 22.358 18.405 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.150 21.943 19.223 1.00 0.00 C ATOM 1544 C PRO A 104 -9.270 20.920 18.513 1.00 0.00 C ATOM 1545 O PRO A 104 -8.273 20.455 19.066 1.00 0.00 O ATOM 1546 CB PRO A 104 -10.806 21.320 20.458 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.145 20.867 19.988 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.571 21.855 18.938 1.00 0.00 C ATOM 0 HA PRO A 104 -9.487 22.778 19.451 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.218 20.486 20.840 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.895 22.045 21.267 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.094 19.859 19.577 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.859 20.840 20.811 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.172 21.382 18.161 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.173 22.658 19.363 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.645 20.575 17.286 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.889 19.607 16.500 1.00 0.00 C ATOM 1558 C ASP A 105 -9.024 19.895 15.008 1.00 0.00 C ATOM 1559 O ASP A 105 -9.737 20.815 14.605 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.366 18.186 16.803 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.606 17.552 17.951 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -9.001 17.768 19.115 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -7.615 16.840 17.685 1.00 0.00 O ATOM 0 H ASP A 105 -10.468 20.951 16.814 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.838 19.695 16.775 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.429 18.206 17.042 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.252 17.570 15.911 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.334 19.105 14.193 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.377 19.275 12.745 1.00 0.00 C ATOM 1570 C ASP A 106 -9.775 18.988 12.206 1.00 0.00 C ATOM 1571 O ASP A 106 -10.661 18.558 12.944 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.358 18.354 12.072 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.297 16.985 12.721 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.269 16.215 12.575 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.276 16.683 13.373 1.00 0.00 O ATOM 0 H ASP A 106 -7.738 18.340 14.510 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.125 20.311 12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.614 18.242 11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.372 18.817 12.113 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.965 19.229 10.913 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.255 18.997 10.273 1.00 0.00 C ATOM 1582 C VAL A 107 -11.078 18.480 8.850 1.00 0.00 C ATOM 1583 O VAL A 107 -10.147 18.874 8.148 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.104 20.282 10.240 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.313 20.099 9.335 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.534 20.673 11.645 1.00 0.00 C ATOM 0 H VAL A 107 -9.242 19.585 10.288 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.772 18.244 10.867 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.494 21.089 9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.901 21.017 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.979 19.870 8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.927 19.279 9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.133 21.583 11.602 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.127 19.869 12.081 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.651 20.848 12.260 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.978 17.596 8.431 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.920 17.026 7.090 1.00 0.00 C ATOM 1598 C GLU A 108 -12.119 18.105 6.030 1.00 0.00 C ATOM 1599 O GLU A 108 -13.211 18.654 5.883 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.983 15.936 6.929 1.00 0.00 C ATOM 1601 CG GLU A 108 -13.057 15.361 5.525 1.00 0.00 C ATOM 1602 CD GLU A 108 -14.440 14.846 5.178 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.917 13.919 5.867 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -15.045 15.367 4.219 1.00 0.00 O ATOM 0 H GLU A 108 -12.755 17.259 9.000 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.933 16.585 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.774 15.130 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.956 16.347 7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.768 16.128 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.337 14.549 5.431 1.00 0.00 H new ATOM 1611 N PHE A 109 -11.054 18.406 5.294 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.109 19.421 4.248 1.00 0.00 C ATOM 1613 C PHE A 109 -11.187 18.776 2.868 1.00 0.00 C ATOM 1614 O PHE A 109 -12.114 19.032 2.100 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.885 20.334 4.329 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.840 21.374 3.246 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.580 22.541 3.357 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.058 21.186 2.118 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.541 23.499 2.362 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.014 22.141 1.120 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.756 23.299 1.242 1.00 0.00 C ATOM 0 H PHE A 109 -10.142 17.961 5.403 1.00 0.00 H new ATOM 0 HA PHE A 109 -12.008 20.017 4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.876 20.831 5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.983 19.725 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.194 22.703 4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.476 20.282 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.123 24.403 2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.400 21.982 0.246 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.723 24.047 0.464 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.204 17.937 2.558 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.159 17.253 1.271 1.00 0.00 C ATOM 1633 C LYS A 110 -10.014 15.746 1.460 1.00 0.00 C ATOM 1634 O LYS A 110 -9.616 15.281 2.528 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.998 17.786 0.428 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.264 17.746 -1.067 1.00 0.00 C ATOM 1637 CD LYS A 110 -10.199 18.864 -1.497 1.00 0.00 C ATOM 1638 CE LYS A 110 -9.459 20.185 -1.641 1.00 0.00 C ATOM 1639 NZ LYS A 110 -10.391 21.346 -1.632 1.00 0.00 N ATOM 0 H LYS A 110 -9.428 17.714 3.181 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.097 17.447 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.787 18.814 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.104 17.202 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.321 17.831 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.699 16.783 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.668 18.603 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -10.999 18.972 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.741 20.289 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.890 20.183 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.229 21.928 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.373 21.003 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.223 21.920 -0.781 1.00 0.00 H new ATOM 1653 N SER A 111 -10.337 14.989 0.416 1.00 0.00 N ATOM 1654 CA SER A 111 -10.245 13.535 0.469 1.00 0.00 C ATOM 1655 C SER A 111 -9.673 12.980 -0.832 1.00 0.00 C ATOM 1656 O SER A 111 -10.135 13.318 -1.921 1.00 0.00 O ATOM 1657 CB SER A 111 -11.623 12.925 0.735 1.00 0.00 C ATOM 1658 OG SER A 111 -11.580 11.511 0.648 1.00 0.00 O ATOM 0 H SER A 111 -10.665 15.359 -0.476 1.00 0.00 H new ATOM 0 HA SER A 111 -9.574 13.267 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.970 13.221 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.342 13.315 0.015 1.00 0.00 H new ATOM 0 HG SER A 111 -12.472 11.145 0.824 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.663 12.124 -0.709 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.043 11.535 -1.881 1.00 0.00 C ATOM 1666 C GLY A 112 -8.984 10.617 -2.636 1.00 0.00 C ATOM 1667 O GLY A 112 -9.743 9.861 -2.030 1.00 0.00 O ATOM 0 H GLY A 112 -8.263 11.828 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.704 12.329 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.159 10.974 -1.577 1.00 0.00 H new ATOM 1671 N ALA A 113 -8.937 10.684 -3.962 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.792 9.852 -4.800 1.00 0.00 C ATOM 1673 C ALA A 113 -10.003 8.478 -4.175 1.00 0.00 C ATOM 1674 O ALA A 113 -11.134 8.009 -4.051 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.193 9.715 -6.192 1.00 0.00 C ATOM 0 H ALA A 113 -8.316 11.306 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.764 10.338 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -9.841 9.091 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.100 10.701 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.208 9.254 -6.120 1.00 0.00 H new ATOM 1681 N GLY A 114 -8.907 7.835 -3.783 1.00 0.00 N ATOM 1682 CA GLY A 114 -8.994 6.520 -3.176 1.00 0.00 C ATOM 1683 C GLY A 114 -8.144 5.492 -3.895 1.00 0.00 C ATOM 1684 O GLY A 114 -8.567 4.915 -4.898 1.00 0.00 O ATOM 0 H GLY A 114 -7.960 8.202 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.679 6.583 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.033 6.191 -3.176 1.00 0.00 H new ATOM 1688 N THR A 115 -6.938 5.262 -3.385 1.00 0.00 N ATOM 1689 CA THR A 115 -6.024 4.299 -3.986 1.00 0.00 C ATOM 1690 C THR A 115 -6.437 2.869 -3.657 1.00 0.00 C ATOM 1691 O THR A 115 -6.334 2.433 -2.511 1.00 0.00 O ATOM 1692 CB THR A 115 -4.577 4.525 -3.512 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.157 5.855 -3.837 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.633 3.519 -4.152 1.00 0.00 C ATOM 0 H THR A 115 -6.572 5.730 -2.556 1.00 0.00 H new ATOM 0 HA THR A 115 -6.072 4.449 -5.064 1.00 0.00 H new ATOM 0 HB THR A 115 -4.548 4.389 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.913 5.898 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.617 3.699 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.937 2.509 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.667 3.627 -5.236 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.905 2.145 -4.669 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.333 0.763 -4.484 1.00 0.00 C ATOM 1704 C GLU A 116 -6.133 -0.154 -4.265 1.00 0.00 C ATOM 1705 O GLU A 116 -5.177 -0.140 -5.040 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.137 0.289 -5.697 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.490 -1.188 -5.653 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.221 -1.651 -6.899 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -9.979 -0.843 -7.475 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -9.034 -2.819 -7.297 1.00 0.00 O ATOM 0 H GLU A 116 -6.997 2.492 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.966 0.721 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.056 0.872 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.565 0.491 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.578 -1.772 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.111 -1.383 -4.779 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.191 -0.950 -3.203 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.110 -1.874 -2.879 1.00 0.00 C ATOM 1719 C LEU A 117 -5.402 -3.267 -3.427 1.00 0.00 C ATOM 1720 O LEU A 117 -6.499 -3.797 -3.251 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.906 -1.942 -1.365 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.692 -2.738 -0.886 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.422 -2.224 -1.545 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.574 -2.670 0.630 1.00 0.00 C ATOM 0 H LEU A 117 -6.975 -0.974 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.197 -1.504 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.821 -0.924 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.800 -2.377 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.829 -3.780 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.569 -2.803 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.507 -2.326 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.279 -1.174 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.704 -3.242 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.461 -1.631 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.473 -3.088 1.084 1.00 0.00 H new ATOM 1736 N SER A 118 -4.412 -3.856 -4.091 1.00 0.00 N ATOM 1737 CA SER A 118 -4.564 -5.187 -4.666 1.00 0.00 C ATOM 1738 C SER A 118 -3.600 -6.174 -4.014 1.00 0.00 C ATOM 1739 O SER A 118 -2.507 -6.421 -4.523 1.00 0.00 O ATOM 1740 CB SER A 118 -4.322 -5.144 -6.177 1.00 0.00 C ATOM 1741 OG SER A 118 -4.666 -3.878 -6.712 1.00 0.00 O ATOM 0 H SER A 118 -3.497 -3.432 -4.244 1.00 0.00 H new ATOM 0 HA SER A 118 -5.584 -5.523 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.274 -5.359 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.911 -5.921 -6.665 1.00 0.00 H new ATOM 0 HG SER A 118 -3.857 -3.428 -7.033 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.014 -6.735 -2.882 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.189 -7.696 -2.159 1.00 0.00 C ATOM 1749 C VAL A 119 -3.204 -9.058 -2.843 1.00 0.00 C ATOM 1750 O VAL A 119 -4.254 -9.689 -2.970 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.665 -7.860 -0.703 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.693 -8.727 0.082 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.833 -6.500 -0.042 1.00 0.00 C ATOM 0 H VAL A 119 -4.915 -6.541 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.172 -7.304 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.635 -8.358 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.046 -8.832 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.628 -9.711 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.708 -8.260 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.170 -6.634 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.879 -5.973 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.571 -5.917 -0.592 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.032 -9.506 -3.282 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.910 -10.794 -3.955 1.00 0.00 C ATOM 1765 C ARG A 120 -1.354 -11.852 -3.007 1.00 0.00 C ATOM 1766 O ARG A 120 -0.260 -11.699 -2.463 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.007 -10.668 -5.183 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.717 -10.112 -6.407 1.00 0.00 C ATOM 1769 CD ARG A 120 -2.560 -11.174 -7.093 1.00 0.00 C ATOM 1770 NE ARG A 120 -1.770 -11.994 -8.008 1.00 0.00 N ATOM 1771 CZ ARG A 120 -2.220 -13.111 -8.568 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -3.448 -13.539 -8.309 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -1.441 -13.802 -9.391 1.00 0.00 N ATOM 0 H ARG A 120 -1.154 -8.996 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.905 -11.105 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.163 -10.023 -4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.598 -11.649 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.352 -9.277 -6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.981 -9.721 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -3.021 -11.813 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.370 -10.695 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 120 -0.821 -11.692 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.050 -13.010 -7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.791 -14.397 -8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.496 -13.475 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.787 -14.660 -9.821 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.114 -12.924 -2.813 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.696 -14.008 -1.932 1.00 0.00 C ATOM 1789 C ALA A 121 -0.205 -14.291 -2.079 1.00 0.00 C ATOM 1790 O ALA A 121 0.411 -13.927 -3.081 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.505 -15.264 -2.221 1.00 0.00 C ATOM 0 H ALA A 121 -3.023 -13.066 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.880 -13.699 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.183 -16.065 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.563 -15.061 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.349 -15.567 -3.256 1.00 0.00 H new ATOM 1797 N LYS A 122 0.371 -14.942 -1.074 1.00 0.00 N ATOM 1798 CA LYS A 122 1.790 -15.274 -1.090 1.00 0.00 C ATOM 1799 C LYS A 122 2.114 -16.219 -2.243 1.00 0.00 C ATOM 1800 O LYS A 122 1.269 -16.986 -2.705 1.00 0.00 O ATOM 1801 CB LYS A 122 2.201 -15.914 0.238 1.00 0.00 C ATOM 1802 CG LYS A 122 1.782 -17.368 0.368 1.00 0.00 C ATOM 1803 CD LYS A 122 0.291 -17.542 0.134 1.00 0.00 C ATOM 1804 CE LYS A 122 -0.135 -18.992 0.304 1.00 0.00 C ATOM 1805 NZ LYS A 122 -1.607 -19.160 0.155 1.00 0.00 N ATOM 0 H LYS A 122 -0.124 -15.250 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 122 2.352 -14.351 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.284 -15.846 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.763 -15.344 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.337 -17.973 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.040 -17.735 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.263 -16.915 0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.037 -17.203 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.377 -19.610 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.173 -19.348 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.856 -20.162 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.096 -18.591 0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.898 -18.844 -0.792 1.00 0.00 H new