USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 848 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 60 TYR OH : rot 180:sc= 0.217 USER MOD Set 1.2: A 101 SER OG : rot -162:sc= -6.49! USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.0552 USER MOD Set 2.2: A 100 TYR OH : rot 165:sc= -1.17 USER MOD Set 3.1: A 49 SER OG : rot 170:sc= -0.0662 USER MOD Set 3.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0804 X(o=-0.08,f=0) USER MOD Single : A 26 GLN : amide:sc= -2.96! C(o=-3!,f=-6.9!) USER MOD Single : A 32 TYR OH : rot 165:sc= -0.681 USER MOD Single : A 33 ASN : amide:sc= -4.72! C(o=-4.7!,f=-5.5!) USER MOD Single : A 36 SER OG : rot -92:sc= 0.305 USER MOD Single : A 37 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.6!) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 0.133 (180deg=-0.44) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.157 USER MOD Single : A 42 SER OG : rot 178:sc= -0.0598 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -9.56! C(o=-9.6!,f=-12!) USER MOD Single : A 69 THR OG1 : rot -29:sc= 0.809 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.383 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.6!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 121:sc= 0.622 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0649 X(o=-0.065,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -6.252 13.379 16.654 1.00 0.00 N ATOM 2 CA GLY A 9 -7.671 13.580 17.071 1.00 0.00 C ATOM 3 C GLY A 9 -8.426 12.253 16.966 1.00 0.00 C ATOM 4 O GLY A 9 -8.170 11.324 17.706 1.00 0.00 O ATOM 0 HA2 GLY A 9 -7.711 13.954 18.094 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.144 14.331 16.439 1.00 0.00 H new ATOM 7 N ALA A 10 -9.354 12.158 16.054 1.00 0.00 N ATOM 8 CA ALA A 10 -10.123 10.892 15.906 1.00 0.00 C ATOM 9 C ALA A 10 -9.224 9.786 15.329 1.00 0.00 C ATOM 10 O ALA A 10 -9.256 8.671 15.812 1.00 0.00 O ATOM 11 CB ALA A 10 -11.327 11.121 14.990 1.00 0.00 C ATOM 0 H ALA A 10 -9.612 12.902 15.406 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.476 10.577 16.888 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.886 10.191 14.885 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.972 11.886 15.422 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.981 11.449 14.010 1.00 0.00 H new ATOM 17 N PRO A 11 -8.442 10.106 14.319 1.00 0.00 N ATOM 18 CA PRO A 11 -7.516 9.120 13.676 1.00 0.00 C ATOM 19 C PRO A 11 -6.291 8.883 14.563 1.00 0.00 C ATOM 20 O PRO A 11 -5.722 9.809 15.109 1.00 0.00 O ATOM 21 CB PRO A 11 -7.122 9.802 12.374 1.00 0.00 C ATOM 22 CG PRO A 11 -7.315 11.295 12.582 1.00 0.00 C ATOM 23 CD PRO A 11 -8.362 11.469 13.684 1.00 0.00 C ATOM 0 HA PRO A 11 -7.969 8.141 13.519 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.086 9.578 12.119 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.738 9.444 11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.375 11.768 12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.645 11.772 11.659 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.062 12.230 14.405 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.325 11.778 13.277 1.00 0.00 H new ATOM 31 N VAL A 12 -5.880 7.654 14.715 1.00 0.00 N ATOM 32 CA VAL A 12 -4.708 7.355 15.558 1.00 0.00 C ATOM 33 C VAL A 12 -3.657 6.690 14.673 1.00 0.00 C ATOM 34 O VAL A 12 -4.000 6.011 13.736 1.00 0.00 O ATOM 35 CB VAL A 12 -5.158 6.377 16.646 1.00 0.00 C ATOM 36 CG1 VAL A 12 -3.938 5.833 17.372 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.097 7.061 17.654 1.00 0.00 C ATOM 0 H VAL A 12 -6.317 6.840 14.282 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.295 8.255 16.013 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.704 5.561 16.172 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.257 5.136 18.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.293 5.316 16.662 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.389 6.657 17.828 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.400 6.342 18.415 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.577 7.894 18.128 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.980 7.433 17.134 1.00 0.00 H new ATOM 47 N PRO A 13 -2.410 6.902 14.980 1.00 0.00 N ATOM 48 CA PRO A 13 -1.283 6.324 14.201 1.00 0.00 C ATOM 49 C PRO A 13 -0.955 4.914 14.693 1.00 0.00 C ATOM 50 O PRO A 13 -1.130 4.588 15.851 1.00 0.00 O ATOM 51 CB PRO A 13 -0.142 7.289 14.493 1.00 0.00 C ATOM 52 CG PRO A 13 -0.458 7.971 15.825 1.00 0.00 C ATOM 53 CD PRO A 13 -1.945 7.742 16.128 1.00 0.00 C ATOM 0 HA PRO A 13 -1.494 6.221 13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.808 6.757 14.549 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.048 8.026 13.696 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.162 7.559 16.621 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.239 9.037 15.770 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.087 7.233 17.081 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.493 8.683 16.185 1.00 0.00 H new ATOM 61 N VAL A 14 -0.485 4.076 13.814 1.00 0.00 N ATOM 62 CA VAL A 14 -0.147 2.682 14.217 1.00 0.00 C ATOM 63 C VAL A 14 1.101 2.699 15.098 1.00 0.00 C ATOM 64 O VAL A 14 1.825 3.673 15.158 1.00 0.00 O ATOM 65 CB VAL A 14 0.092 1.835 12.951 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.552 1.941 12.492 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.250 0.373 13.232 1.00 0.00 C ATOM 0 H VAL A 14 -0.320 4.296 12.832 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.968 2.244 14.784 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.552 2.216 12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.697 1.335 11.597 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.788 2.981 12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.209 1.582 13.284 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.079 -0.220 12.333 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.381 0.000 14.038 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.297 0.294 13.525 1.00 0.00 H new ATOM 77 N ASP A 15 1.350 1.625 15.785 1.00 0.00 N ATOM 78 CA ASP A 15 2.548 1.565 16.677 1.00 0.00 C ATOM 79 C ASP A 15 2.915 0.108 16.950 1.00 0.00 C ATOM 80 O ASP A 15 2.225 -0.807 16.548 1.00 0.00 O ATOM 81 CB ASP A 15 2.251 2.264 18.011 1.00 0.00 C ATOM 82 CG ASP A 15 1.095 3.254 17.844 1.00 0.00 C ATOM 83 OD1 ASP A 15 0.014 2.816 17.484 1.00 0.00 O ATOM 84 OD2 ASP A 15 1.310 4.431 18.080 1.00 0.00 O ATOM 0 H ASP A 15 0.778 0.781 15.771 1.00 0.00 H new ATOM 0 HA ASP A 15 3.378 2.069 16.181 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.998 1.523 18.770 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.140 2.788 18.361 1.00 0.00 H new ATOM 89 N GLU A 16 4.002 -0.109 17.637 1.00 0.00 N ATOM 90 CA GLU A 16 4.427 -1.504 17.949 1.00 0.00 C ATOM 91 C GLU A 16 4.866 -2.205 16.659 1.00 0.00 C ATOM 92 O GLU A 16 4.287 -3.193 16.255 1.00 0.00 O ATOM 93 CB GLU A 16 3.249 -2.264 18.561 1.00 0.00 C ATOM 94 CG GLU A 16 3.771 -3.263 19.597 1.00 0.00 C ATOM 95 CD GLU A 16 3.738 -4.673 19.007 1.00 0.00 C ATOM 96 OE1 GLU A 16 4.564 -4.958 18.155 1.00 0.00 O ATOM 97 OE2 GLU A 16 2.887 -5.447 19.416 1.00 0.00 O ATOM 0 H GLU A 16 4.617 0.621 17.997 1.00 0.00 H new ATOM 0 HA GLU A 16 5.259 -1.484 18.653 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.556 -1.566 19.030 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.695 -2.788 17.782 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.789 -3.003 19.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.161 -3.220 20.499 1.00 0.00 H new ATOM 104 N ASN A 17 5.879 -1.703 16.000 1.00 0.00 N ATOM 105 CA ASN A 17 6.331 -2.349 14.737 1.00 0.00 C ATOM 106 C ASN A 17 5.229 -2.210 13.684 1.00 0.00 C ATOM 107 O ASN A 17 5.279 -2.820 12.634 1.00 0.00 O ATOM 108 CB ASN A 17 6.609 -3.832 14.993 1.00 0.00 C ATOM 109 CG ASN A 17 8.058 -4.152 14.621 1.00 0.00 C ATOM 110 OD1 ASN A 17 8.309 -4.889 13.689 1.00 0.00 O ATOM 111 ND2 ASN A 17 9.029 -3.625 15.316 1.00 0.00 N ATOM 0 H ASN A 17 6.408 -0.878 16.282 1.00 0.00 H new ATOM 0 HA ASN A 17 7.243 -1.868 14.382 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.431 -4.070 16.042 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.927 -4.447 14.406 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.999 -3.832 15.076 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.818 -3.006 16.099 1.00 0.00 H new ATOM 118 N ASP A 18 4.234 -1.410 13.963 1.00 0.00 N ATOM 119 CA ASP A 18 3.121 -1.222 12.992 1.00 0.00 C ATOM 120 C ASP A 18 2.747 -2.565 12.372 1.00 0.00 C ATOM 121 O ASP A 18 3.025 -2.830 11.221 1.00 0.00 O ATOM 122 CB ASP A 18 3.556 -0.251 11.893 1.00 0.00 C ATOM 123 CG ASP A 18 4.403 0.867 12.505 1.00 0.00 C ATOM 124 OD1 ASP A 18 4.217 1.150 13.676 1.00 0.00 O ATOM 125 OD2 ASP A 18 5.224 1.419 11.790 1.00 0.00 O ATOM 0 H ASP A 18 4.146 -0.876 14.828 1.00 0.00 H new ATOM 0 HA ASP A 18 2.255 -0.813 13.512 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.129 -0.780 11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.681 0.171 11.398 1.00 0.00 H new ATOM 130 N GLU A 19 2.115 -3.414 13.128 1.00 0.00 N ATOM 131 CA GLU A 19 1.723 -4.743 12.578 1.00 0.00 C ATOM 132 C GLU A 19 0.365 -4.630 11.882 1.00 0.00 C ATOM 133 O GLU A 19 0.184 -5.115 10.783 1.00 0.00 O ATOM 134 CB GLU A 19 1.653 -5.777 13.708 1.00 0.00 C ATOM 135 CG GLU A 19 0.627 -5.335 14.755 1.00 0.00 C ATOM 136 CD GLU A 19 -0.750 -5.887 14.384 1.00 0.00 C ATOM 137 OE1 GLU A 19 -0.824 -7.054 14.032 1.00 0.00 O ATOM 138 OE2 GLU A 19 -1.709 -5.135 14.458 1.00 0.00 O ATOM 0 H GLU A 19 1.852 -3.249 14.100 1.00 0.00 H new ATOM 0 HA GLU A 19 2.469 -5.067 11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.377 -6.751 13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.633 -5.889 14.171 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.921 -5.694 15.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.592 -4.247 14.809 1.00 0.00 H new ATOM 145 N GLY A 20 -0.592 -3.988 12.497 1.00 0.00 N ATOM 146 CA GLY A 20 -1.920 -3.846 11.842 1.00 0.00 C ATOM 147 C GLY A 20 -1.762 -2.971 10.599 1.00 0.00 C ATOM 148 O GLY A 20 -2.230 -3.303 9.527 1.00 0.00 O ATOM 0 H GLY A 20 -0.511 -3.559 13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.313 -4.825 11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.635 -3.398 12.531 1.00 0.00 H new ATOM 152 N LEU A 21 -1.100 -1.854 10.734 1.00 0.00 N ATOM 153 CA LEU A 21 -0.902 -0.956 9.565 1.00 0.00 C ATOM 154 C LEU A 21 -0.019 -1.653 8.529 1.00 0.00 C ATOM 155 O LEU A 21 -0.185 -1.464 7.342 1.00 0.00 O ATOM 156 CB LEU A 21 -0.236 0.341 10.029 1.00 0.00 C ATOM 157 CG LEU A 21 -0.033 1.285 8.837 1.00 0.00 C ATOM 158 CD1 LEU A 21 1.179 0.829 8.021 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.281 1.279 7.949 1.00 0.00 C ATOM 0 H LEU A 21 -0.687 -1.525 11.607 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.866 -0.724 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.853 0.825 10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.724 0.119 10.495 1.00 0.00 H new ATOM 0 HG LEU A 21 0.138 2.296 9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.321 1.501 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.069 0.845 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.011 -0.184 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.130 1.951 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.461 0.269 7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.142 1.612 8.529 1.00 0.00 H new ATOM 171 N GLN A 22 0.918 -2.463 8.957 1.00 0.00 N ATOM 172 CA GLN A 22 1.786 -3.157 7.965 1.00 0.00 C ATOM 173 C GLN A 22 0.934 -4.111 7.134 1.00 0.00 C ATOM 174 O GLN A 22 1.065 -4.185 5.931 1.00 0.00 O ATOM 175 CB GLN A 22 2.886 -3.936 8.679 1.00 0.00 C ATOM 176 CG GLN A 22 4.093 -3.023 8.908 1.00 0.00 C ATOM 177 CD GLN A 22 5.078 -3.175 7.749 1.00 0.00 C ATOM 178 OE1 GLN A 22 6.023 -3.934 7.835 1.00 0.00 O ATOM 179 NE2 GLN A 22 4.897 -2.481 6.658 1.00 0.00 N ATOM 0 H GLN A 22 1.115 -2.670 9.936 1.00 0.00 H new ATOM 0 HA GLN A 22 2.250 -2.416 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.518 -4.315 9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.179 -4.801 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.767 -1.986 8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.581 -3.277 9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.104 -1.844 6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.548 -2.576 5.879 1.00 0.00 H new ATOM 188 N ARG A 23 0.047 -4.827 7.762 1.00 0.00 N ATOM 189 CA ARG A 23 -0.828 -5.755 6.999 1.00 0.00 C ATOM 190 C ARG A 23 -1.738 -4.921 6.099 1.00 0.00 C ATOM 191 O ARG A 23 -2.267 -5.393 5.111 1.00 0.00 O ATOM 192 CB ARG A 23 -1.677 -6.577 7.971 1.00 0.00 C ATOM 193 CG ARG A 23 -0.940 -7.869 8.328 1.00 0.00 C ATOM 194 CD ARG A 23 -1.902 -8.827 9.035 1.00 0.00 C ATOM 195 NE ARG A 23 -1.223 -10.134 9.264 1.00 0.00 N ATOM 196 CZ ARG A 23 -1.891 -11.247 9.135 1.00 0.00 C ATOM 197 NH1 ARG A 23 -2.066 -11.770 7.951 1.00 0.00 N ATOM 198 NH2 ARG A 23 -2.384 -11.839 10.187 1.00 0.00 N ATOM 0 H ARG A 23 -0.110 -4.810 8.770 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.224 -6.435 6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.877 -5.999 8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.642 -6.809 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.543 -8.335 7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.090 -7.649 8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.224 -8.401 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.798 -8.971 8.431 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.236 -10.158 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.680 -11.308 7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.588 -12.640 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.248 -11.432 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.906 -12.709 10.085 1.00 0.00 H new ATOM 212 N ALA A 24 -1.908 -3.672 6.437 1.00 0.00 N ATOM 213 CA ALA A 24 -2.768 -2.774 5.617 1.00 0.00 C ATOM 214 C ALA A 24 -2.049 -2.438 4.318 1.00 0.00 C ATOM 215 O ALA A 24 -2.567 -2.642 3.232 1.00 0.00 O ATOM 216 CB ALA A 24 -3.039 -1.484 6.391 1.00 0.00 C ATOM 0 H ALA A 24 -1.484 -3.232 7.254 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.712 -3.273 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.668 -0.826 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.547 -1.720 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.095 -0.985 6.608 1.00 0.00 H new ATOM 222 N LEU A 25 -0.859 -1.925 4.418 1.00 0.00 N ATOM 223 CA LEU A 25 -0.106 -1.575 3.206 1.00 0.00 C ATOM 224 C LEU A 25 0.144 -2.828 2.387 1.00 0.00 C ATOM 225 O LEU A 25 0.149 -2.800 1.186 1.00 0.00 O ATOM 226 CB LEU A 25 1.211 -0.959 3.645 1.00 0.00 C ATOM 227 CG LEU A 25 2.099 -0.696 2.428 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.660 0.726 2.505 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.255 -1.700 2.413 1.00 0.00 C ATOM 0 H LEU A 25 -0.379 -1.735 5.298 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.663 -0.869 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.026 -0.026 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.721 -1.627 4.339 1.00 0.00 H new ATOM 0 HG LEU A 25 1.510 -0.806 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.293 0.915 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.838 1.441 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.249 0.836 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.888 -1.513 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.844 -1.590 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.856 -2.713 2.359 1.00 0.00 H new ATOM 241 N GLN A 26 0.354 -3.931 3.018 1.00 0.00 N ATOM 242 CA GLN A 26 0.606 -5.168 2.235 1.00 0.00 C ATOM 243 C GLN A 26 -0.693 -5.652 1.577 1.00 0.00 C ATOM 244 O GLN A 26 -0.665 -6.436 0.653 1.00 0.00 O ATOM 245 CB GLN A 26 1.165 -6.259 3.149 1.00 0.00 C ATOM 246 CG GLN A 26 2.620 -6.545 2.773 1.00 0.00 C ATOM 247 CD GLN A 26 3.420 -5.241 2.800 1.00 0.00 C ATOM 248 OE1 GLN A 26 3.636 -4.625 1.774 1.00 0.00 O ATOM 249 NE2 GLN A 26 3.870 -4.790 3.938 1.00 0.00 N ATOM 0 H GLN A 26 0.364 -4.039 4.032 1.00 0.00 H new ATOM 0 HA GLN A 26 1.335 -4.948 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.103 -5.943 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.569 -7.167 3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.052 -7.264 3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.669 -6.994 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.689 -5.306 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.403 -3.921 3.967 1.00 0.00 H new ATOM 258 N PHE A 27 -1.826 -5.194 2.034 1.00 0.00 N ATOM 259 CA PHE A 27 -3.111 -5.629 1.419 1.00 0.00 C ATOM 260 C PHE A 27 -3.353 -4.835 0.138 1.00 0.00 C ATOM 261 O PHE A 27 -3.497 -5.380 -0.946 1.00 0.00 O ATOM 262 CB PHE A 27 -4.225 -5.340 2.408 1.00 0.00 C ATOM 263 CG PHE A 27 -5.519 -6.007 2.000 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.633 -6.644 0.759 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.617 -5.964 2.867 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.845 -7.235 0.385 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.827 -6.557 2.496 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.942 -7.191 1.255 1.00 0.00 C ATOM 0 H PHE A 27 -1.917 -4.536 2.808 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.079 -6.692 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.932 -5.688 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.377 -4.263 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.786 -6.679 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.529 -5.472 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.935 -7.725 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.672 -6.526 3.167 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.878 -7.647 0.967 1.00 0.00 H new ATOM 278 N ALA A 28 -3.385 -3.548 0.262 1.00 0.00 N ATOM 279 CA ALA A 28 -3.610 -2.684 -0.931 1.00 0.00 C ATOM 280 C ALA A 28 -2.367 -2.703 -1.807 1.00 0.00 C ATOM 281 O ALA A 28 -2.440 -2.842 -3.009 1.00 0.00 O ATOM 282 CB ALA A 28 -3.884 -1.259 -0.467 1.00 0.00 C ATOM 0 H ALA A 28 -3.265 -3.047 1.142 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.461 -3.054 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.050 -0.620 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.770 -1.247 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.028 -0.889 0.098 1.00 0.00 H new ATOM 288 N ILE A 29 -1.223 -2.568 -1.218 1.00 0.00 N ATOM 289 CA ILE A 29 0.020 -2.590 -2.026 1.00 0.00 C ATOM 290 C ILE A 29 0.108 -3.933 -2.733 1.00 0.00 C ATOM 291 O ILE A 29 0.519 -4.035 -3.871 1.00 0.00 O ATOM 292 CB ILE A 29 1.239 -2.384 -1.110 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.342 -1.699 -1.895 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.752 -3.716 -0.580 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.726 -0.511 -2.605 1.00 0.00 C ATOM 0 H ILE A 29 -1.091 -2.443 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 29 0.007 -1.788 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 29 0.938 -1.767 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.142 -1.375 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.785 -2.388 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.614 -3.543 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.964 -4.208 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.046 -4.351 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.493 0.007 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.939 -0.856 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.302 0.172 -1.870 1.00 0.00 H new ATOM 307 N ALA A 30 -0.293 -4.963 -2.057 1.00 0.00 N ATOM 308 CA ALA A 30 -0.264 -6.308 -2.678 1.00 0.00 C ATOM 309 C ALA A 30 -1.118 -6.247 -3.936 1.00 0.00 C ATOM 310 O ALA A 30 -0.854 -6.913 -4.917 1.00 0.00 O ATOM 311 CB ALA A 30 -0.848 -7.343 -1.717 1.00 0.00 C ATOM 0 H ALA A 30 -0.641 -4.933 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 30 0.761 -6.596 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.822 -8.328 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.260 -7.360 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.879 -7.080 -1.482 1.00 0.00 H new ATOM 317 N GLU A 31 -2.145 -5.441 -3.914 1.00 0.00 N ATOM 318 CA GLU A 31 -3.012 -5.338 -5.115 1.00 0.00 C ATOM 319 C GLU A 31 -2.408 -4.366 -6.131 1.00 0.00 C ATOM 320 O GLU A 31 -2.736 -4.413 -7.299 1.00 0.00 O ATOM 321 CB GLU A 31 -4.427 -4.892 -4.718 1.00 0.00 C ATOM 322 CG GLU A 31 -4.466 -3.383 -4.447 1.00 0.00 C ATOM 323 CD GLU A 31 -5.644 -2.763 -5.201 1.00 0.00 C ATOM 324 OE1 GLU A 31 -5.841 -3.120 -6.351 1.00 0.00 O ATOM 325 OE2 GLU A 31 -6.330 -1.942 -4.615 1.00 0.00 O ATOM 0 H GLU A 31 -2.417 -4.856 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.078 -6.322 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.129 -5.141 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.748 -5.434 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.565 -3.197 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.532 -2.921 -4.766 1.00 0.00 H new ATOM 332 N TYR A 32 -1.514 -3.495 -5.728 1.00 0.00 N ATOM 333 CA TYR A 32 -0.916 -2.578 -6.719 1.00 0.00 C ATOM 334 C TYR A 32 0.055 -3.394 -7.577 1.00 0.00 C ATOM 335 O TYR A 32 -0.008 -3.390 -8.795 1.00 0.00 O ATOM 336 CB TYR A 32 -0.178 -1.462 -5.992 1.00 0.00 C ATOM 337 CG TYR A 32 -0.398 -0.146 -6.696 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.274 -0.036 -8.088 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.719 0.982 -5.936 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.471 1.198 -8.704 1.00 0.00 C ATOM 341 CE2 TYR A 32 -0.919 2.211 -6.549 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.794 2.327 -7.938 1.00 0.00 C ATOM 343 OH TYR A 32 -0.987 3.547 -8.553 1.00 0.00 O ATOM 0 H TYR A 32 -1.184 -3.388 -4.769 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.682 -2.126 -7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.529 -1.395 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.888 -1.687 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.027 -0.904 -8.681 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.812 0.897 -4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.374 1.285 -9.776 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.171 3.077 -5.955 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.431 4.160 -7.931 1.00 0.00 H new ATOM 353 N ASN A 33 0.940 -4.121 -6.941 1.00 0.00 N ATOM 354 CA ASN A 33 1.895 -4.957 -7.706 1.00 0.00 C ATOM 355 C ASN A 33 1.114 -6.029 -8.477 1.00 0.00 C ATOM 356 O ASN A 33 1.296 -6.199 -9.666 1.00 0.00 O ATOM 357 CB ASN A 33 2.896 -5.616 -6.743 1.00 0.00 C ATOM 358 CG ASN A 33 2.262 -6.846 -6.084 1.00 0.00 C ATOM 359 OD1 ASN A 33 1.645 -6.740 -5.043 1.00 0.00 O ATOM 360 ND2 ASN A 33 2.387 -8.014 -6.652 1.00 0.00 N ATOM 0 H ASN A 33 1.037 -4.167 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 33 2.448 -4.337 -8.411 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.796 -5.907 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.202 -4.901 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.967 -8.838 -6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.905 -8.103 -7.526 1.00 0.00 H new ATOM 367 N ARG A 34 0.231 -6.745 -7.821 1.00 0.00 N ATOM 368 CA ARG A 34 -0.552 -7.778 -8.543 1.00 0.00 C ATOM 369 C ARG A 34 -1.499 -7.073 -9.515 1.00 0.00 C ATOM 370 O ARG A 34 -2.051 -7.682 -10.409 1.00 0.00 O ATOM 371 CB ARG A 34 -1.344 -8.641 -7.549 1.00 0.00 C ATOM 372 CG ARG A 34 -0.440 -9.762 -7.028 1.00 0.00 C ATOM 373 CD ARG A 34 -0.571 -9.863 -5.506 1.00 0.00 C ATOM 374 NE ARG A 34 0.325 -10.942 -5.002 1.00 0.00 N ATOM 375 CZ ARG A 34 0.107 -11.479 -3.831 1.00 0.00 C ATOM 376 NH1 ARG A 34 0.050 -10.725 -2.768 1.00 0.00 N ATOM 377 NH2 ARG A 34 -0.052 -12.769 -3.727 1.00 0.00 N ATOM 0 H ARG A 34 0.025 -6.655 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 34 0.119 -8.437 -9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.700 -8.029 -6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.224 -9.063 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.716 -10.710 -7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.596 -9.564 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.308 -8.912 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.604 -10.076 -5.232 1.00 0.00 H new ATOM 0 HE ARG A 34 1.109 -11.261 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.176 -9.716 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.120 -11.144 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.006 -13.357 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.222 -13.190 -2.814 1.00 0.00 H new ATOM 391 N ALA A 35 -1.674 -5.784 -9.360 1.00 0.00 N ATOM 392 CA ALA A 35 -2.567 -5.044 -10.291 1.00 0.00 C ATOM 393 C ALA A 35 -1.870 -4.940 -11.644 1.00 0.00 C ATOM 394 O ALA A 35 -2.497 -4.937 -12.685 1.00 0.00 O ATOM 395 CB ALA A 35 -2.843 -3.641 -9.747 1.00 0.00 C ATOM 0 H ALA A 35 -1.238 -5.219 -8.632 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.515 -5.571 -10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.498 -3.106 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.325 -3.717 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.903 -3.099 -9.645 1.00 0.00 H new ATOM 401 N SER A 36 -0.571 -4.874 -11.630 1.00 0.00 N ATOM 402 CA SER A 36 0.187 -4.789 -12.910 1.00 0.00 C ATOM 403 C SER A 36 0.520 -6.205 -13.392 1.00 0.00 C ATOM 404 O SER A 36 0.879 -6.415 -14.534 1.00 0.00 O ATOM 405 CB SER A 36 1.483 -4.006 -12.688 1.00 0.00 C ATOM 406 OG SER A 36 2.342 -4.189 -13.803 1.00 0.00 O ATOM 0 H SER A 36 0.002 -4.875 -10.786 1.00 0.00 H new ATOM 0 HA SER A 36 -0.417 -4.278 -13.660 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.263 -2.947 -12.555 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.975 -4.346 -11.777 1.00 0.00 H new ATOM 0 HG SER A 36 2.938 -4.949 -13.636 1.00 0.00 H new ATOM 412 N ASN A 37 0.403 -7.180 -12.530 1.00 0.00 N ATOM 413 CA ASN A 37 0.711 -8.583 -12.934 1.00 0.00 C ATOM 414 C ASN A 37 2.029 -8.616 -13.711 1.00 0.00 C ATOM 415 O ASN A 37 2.868 -7.750 -13.562 1.00 0.00 O ATOM 416 CB ASN A 37 -0.414 -9.116 -13.823 1.00 0.00 C ATOM 417 CG ASN A 37 -1.754 -8.553 -13.341 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.280 -8.984 -12.334 1.00 0.00 O ATOM 419 ND2 ASN A 37 -2.331 -7.603 -14.024 1.00 0.00 N ATOM 0 H ASN A 37 0.107 -7.065 -11.561 1.00 0.00 H new ATOM 0 HA ASN A 37 0.799 -9.204 -12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.239 -8.830 -14.860 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.432 -10.205 -13.791 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.224 -7.221 -13.713 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.889 -7.242 -14.869 1.00 0.00 H new ATOM 426 N ASP A 38 2.214 -9.602 -14.549 1.00 0.00 N ATOM 427 CA ASP A 38 3.460 -9.685 -15.342 1.00 0.00 C ATOM 428 C ASP A 38 3.671 -8.328 -16.038 1.00 0.00 C ATOM 429 O ASP A 38 2.866 -7.435 -15.874 1.00 0.00 O ATOM 430 CB ASP A 38 3.260 -10.805 -16.357 1.00 0.00 C ATOM 431 CG ASP A 38 4.415 -10.842 -17.358 1.00 0.00 C ATOM 432 OD1 ASP A 38 5.508 -11.212 -16.958 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.189 -10.502 -18.507 1.00 0.00 O ATOM 0 H ASP A 38 1.546 -10.355 -14.714 1.00 0.00 H new ATOM 0 HA ASP A 38 4.338 -9.898 -14.732 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.190 -11.762 -15.840 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.318 -10.659 -16.886 1.00 0.00 H new ATOM 438 N LYS A 39 4.727 -8.135 -16.800 1.00 0.00 N ATOM 439 CA LYS A 39 4.913 -6.810 -17.456 1.00 0.00 C ATOM 440 C LYS A 39 5.274 -5.770 -16.376 1.00 0.00 C ATOM 441 O LYS A 39 4.494 -4.880 -16.116 1.00 0.00 O ATOM 442 CB LYS A 39 3.603 -6.387 -18.130 1.00 0.00 C ATOM 443 CG LYS A 39 3.005 -7.574 -18.892 1.00 0.00 C ATOM 444 CD LYS A 39 3.943 -7.972 -20.034 1.00 0.00 C ATOM 445 CE LYS A 39 3.120 -8.483 -21.217 1.00 0.00 C ATOM 446 NZ LYS A 39 2.171 -9.531 -20.748 1.00 0.00 N ATOM 0 H LYS A 39 5.452 -8.827 -16.990 1.00 0.00 H new ATOM 0 HA LYS A 39 5.706 -6.875 -18.201 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.896 -6.031 -17.381 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.786 -5.559 -18.814 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.859 -8.417 -18.217 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.025 -7.309 -19.288 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.545 -7.116 -20.339 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.635 -8.745 -19.698 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.572 -7.660 -21.675 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.779 -8.891 -21.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.968 -10.190 -21.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.595 -10.053 -19.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.286 -9.083 -20.435 1.00 0.00 H new ATOM 460 N TYR A 40 6.430 -5.866 -15.734 1.00 0.00 N ATOM 461 CA TYR A 40 6.789 -4.879 -14.696 1.00 0.00 C ATOM 462 C TYR A 40 5.637 -4.747 -13.693 1.00 0.00 C ATOM 463 O TYR A 40 4.584 -5.327 -13.875 1.00 0.00 O ATOM 464 CB TYR A 40 7.109 -3.554 -15.398 1.00 0.00 C ATOM 465 CG TYR A 40 5.855 -2.762 -15.661 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.202 -2.108 -14.613 1.00 0.00 C ATOM 467 CD2 TYR A 40 5.345 -2.683 -16.961 1.00 0.00 C ATOM 468 CE1 TYR A 40 4.039 -1.376 -14.861 1.00 0.00 C ATOM 469 CE2 TYR A 40 4.180 -1.954 -17.212 1.00 0.00 C ATOM 470 CZ TYR A 40 3.524 -1.299 -16.161 1.00 0.00 C ATOM 471 OH TYR A 40 2.374 -0.578 -16.408 1.00 0.00 O ATOM 0 H TYR A 40 7.127 -6.593 -15.899 1.00 0.00 H new ATOM 0 HA TYR A 40 7.666 -5.194 -14.131 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.790 -2.968 -14.781 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.622 -3.752 -16.339 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.597 -2.169 -13.610 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.852 -3.186 -17.771 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.537 -0.869 -14.050 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.785 -1.895 -18.215 1.00 0.00 H new ATOM 0 HH TYR A 40 2.156 -0.627 -17.362 1.00 0.00 H new ATOM 481 N SER A 41 5.818 -4.027 -12.619 1.00 0.00 N ATOM 482 CA SER A 41 4.696 -3.930 -11.628 1.00 0.00 C ATOM 483 C SER A 41 4.821 -2.682 -10.746 1.00 0.00 C ATOM 484 O SER A 41 5.671 -1.837 -10.950 1.00 0.00 O ATOM 485 CB SER A 41 4.706 -5.174 -10.737 1.00 0.00 C ATOM 486 OG SER A 41 5.369 -4.876 -9.518 1.00 0.00 O ATOM 0 H SER A 41 6.667 -3.513 -12.384 1.00 0.00 H new ATOM 0 HA SER A 41 3.761 -3.859 -12.184 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.685 -5.500 -10.538 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.210 -5.995 -11.246 1.00 0.00 H new ATOM 0 HG SER A 41 5.375 -5.672 -8.946 1.00 0.00 H new ATOM 492 N SER A 42 3.956 -2.567 -9.764 1.00 0.00 N ATOM 493 CA SER A 42 3.985 -1.383 -8.854 1.00 0.00 C ATOM 494 C SER A 42 4.309 -1.826 -7.418 1.00 0.00 C ATOM 495 O SER A 42 3.742 -2.776 -6.917 1.00 0.00 O ATOM 496 CB SER A 42 2.615 -0.691 -8.877 1.00 0.00 C ATOM 497 OG SER A 42 2.253 -0.409 -10.221 1.00 0.00 O ATOM 0 H SER A 42 3.227 -3.249 -9.555 1.00 0.00 H new ATOM 0 HA SER A 42 4.755 -0.691 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.864 -1.330 -8.413 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.651 0.231 -8.297 1.00 0.00 H new ATOM 0 HG SER A 42 1.364 0.004 -10.241 1.00 0.00 H new ATOM 503 N ARG A 43 5.216 -1.147 -6.747 1.00 0.00 N ATOM 504 CA ARG A 43 5.553 -1.557 -5.342 1.00 0.00 C ATOM 505 C ARG A 43 5.693 -0.314 -4.454 1.00 0.00 C ATOM 506 O ARG A 43 6.186 0.693 -4.884 1.00 0.00 O ATOM 507 CB ARG A 43 6.872 -2.334 -5.343 1.00 0.00 C ATOM 508 CG ARG A 43 6.696 -3.635 -6.127 1.00 0.00 C ATOM 509 CD ARG A 43 7.293 -4.796 -5.331 1.00 0.00 C ATOM 510 NE ARG A 43 6.937 -6.084 -5.989 1.00 0.00 N ATOM 511 CZ ARG A 43 7.866 -6.967 -6.240 1.00 0.00 C ATOM 512 NH1 ARG A 43 8.998 -6.588 -6.767 1.00 0.00 N ATOM 513 NH2 ARG A 43 7.661 -8.225 -5.964 1.00 0.00 N ATOM 0 H ARG A 43 5.729 -0.341 -7.104 1.00 0.00 H new ATOM 0 HA ARG A 43 4.755 -2.188 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.662 -1.731 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.179 -2.552 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.638 -3.817 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.186 -3.556 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.376 -4.692 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.916 -4.781 -4.308 1.00 0.00 H new ATOM 0 HE ARG A 43 5.968 -6.276 -6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.156 -5.604 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.725 -7.276 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.775 -8.519 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.386 -8.915 -6.160 1.00 0.00 H new ATOM 527 N VAL A 44 5.259 -0.387 -3.218 1.00 0.00 N ATOM 528 CA VAL A 44 5.356 0.795 -2.290 1.00 0.00 C ATOM 529 C VAL A 44 6.704 1.504 -2.432 1.00 0.00 C ATOM 530 O VAL A 44 7.587 1.069 -3.144 1.00 0.00 O ATOM 531 CB VAL A 44 5.116 0.319 -0.851 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.381 0.445 0.004 1.00 0.00 C ATOM 533 CG2 VAL A 44 3.996 1.163 -0.237 1.00 0.00 C ATOM 0 H VAL A 44 4.838 -1.219 -2.805 1.00 0.00 H new ATOM 0 HA VAL A 44 4.592 1.526 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 44 4.836 -0.734 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.172 0.099 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.176 -0.162 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.697 1.488 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.814 0.836 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.290 2.213 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.086 1.042 -0.824 1.00 0.00 H new ATOM 543 N VAL A 45 6.861 2.608 -1.752 1.00 0.00 N ATOM 544 CA VAL A 45 8.132 3.366 -1.849 1.00 0.00 C ATOM 545 C VAL A 45 8.387 4.068 -0.515 1.00 0.00 C ATOM 546 O VAL A 45 9.212 3.650 0.273 1.00 0.00 O ATOM 547 CB VAL A 45 8.031 4.425 -2.958 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.163 4.262 -3.936 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.772 4.273 -3.773 1.00 0.00 C ATOM 0 H VAL A 45 6.159 3.015 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 45 8.946 2.680 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 45 8.050 5.391 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.081 5.018 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.113 4.380 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.116 3.270 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.743 5.042 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.758 3.289 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.903 4.378 -3.123 1.00 0.00 H new ATOM 559 N ARG A 46 7.676 5.134 -0.254 1.00 0.00 N ATOM 560 CA ARG A 46 7.868 5.862 1.030 1.00 0.00 C ATOM 561 C ARG A 46 6.501 6.241 1.600 1.00 0.00 C ATOM 562 O ARG A 46 5.949 7.277 1.281 1.00 0.00 O ATOM 563 CB ARG A 46 8.690 7.128 0.783 1.00 0.00 C ATOM 564 CG ARG A 46 9.544 7.430 2.016 1.00 0.00 C ATOM 565 CD ARG A 46 9.671 8.944 2.192 1.00 0.00 C ATOM 566 NE ARG A 46 11.072 9.283 2.569 1.00 0.00 N ATOM 567 CZ ARG A 46 11.351 10.464 3.048 1.00 0.00 C ATOM 568 NH1 ARG A 46 10.631 11.494 2.700 1.00 0.00 N ATOM 569 NH2 ARG A 46 12.350 10.614 3.874 1.00 0.00 N ATOM 0 H ARG A 46 6.971 5.530 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 46 8.396 5.224 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.328 6.996 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.029 7.968 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.090 6.987 2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.532 6.982 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.398 9.453 1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.982 9.291 2.962 1.00 0.00 H new ATOM 0 HE ARG A 46 11.813 8.592 2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.851 11.376 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.848 12.418 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.913 9.808 4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.568 11.537 4.248 1.00 0.00 H new ATOM 583 N VAL A 47 5.950 5.413 2.443 1.00 0.00 N ATOM 584 CA VAL A 47 4.626 5.721 3.038 1.00 0.00 C ATOM 585 C VAL A 47 4.598 7.177 3.484 1.00 0.00 C ATOM 586 O VAL A 47 5.603 7.859 3.511 1.00 0.00 O ATOM 587 CB VAL A 47 4.388 4.775 4.207 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.485 5.421 5.257 1.00 0.00 C ATOM 589 CG2 VAL A 47 3.727 3.493 3.695 1.00 0.00 C ATOM 0 H VAL A 47 6.365 4.532 2.745 1.00 0.00 H new ATOM 0 HA VAL A 47 3.830 5.580 2.307 1.00 0.00 H new ATOM 0 HB VAL A 47 5.349 4.546 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.330 4.725 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.956 6.330 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.524 5.670 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.555 2.814 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.775 3.738 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.380 3.014 2.965 1.00 0.00 H new ATOM 599 N ILE A 48 3.440 7.658 3.805 1.00 0.00 N ATOM 600 CA ILE A 48 3.298 9.064 4.220 1.00 0.00 C ATOM 601 C ILE A 48 2.305 9.119 5.367 1.00 0.00 C ATOM 602 O ILE A 48 2.568 9.660 6.423 1.00 0.00 O ATOM 603 CB ILE A 48 2.720 9.821 3.036 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.805 10.067 1.990 1.00 0.00 C ATOM 605 CG2 ILE A 48 2.138 11.163 3.494 1.00 0.00 C ATOM 606 CD1 ILE A 48 3.141 10.345 0.637 1.00 0.00 C ATOM 0 H ILE A 48 2.571 7.124 3.796 1.00 0.00 H new ATOM 0 HA ILE A 48 4.252 9.491 4.530 1.00 0.00 H new ATOM 0 HB ILE A 48 1.925 9.219 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.427 10.912 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.460 9.199 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.728 11.694 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.347 10.987 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.925 11.764 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.909 10.522 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.537 9.486 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.504 11.225 0.719 1.00 0.00 H new ATOM 618 N SER A 49 1.147 8.572 5.143 1.00 0.00 N ATOM 619 CA SER A 49 0.099 8.601 6.208 1.00 0.00 C ATOM 620 C SER A 49 -0.475 7.203 6.473 1.00 0.00 C ATOM 621 O SER A 49 -1.452 6.800 5.878 1.00 0.00 O ATOM 622 CB SER A 49 -1.031 9.534 5.774 1.00 0.00 C ATOM 623 OG SER A 49 -1.232 10.528 6.767 1.00 0.00 O ATOM 0 H SER A 49 0.877 8.108 4.276 1.00 0.00 H new ATOM 0 HA SER A 49 0.560 8.959 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.785 10.002 4.821 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.949 8.965 5.623 1.00 0.00 H new ATOM 0 HG SER A 49 -1.838 11.216 6.423 1.00 0.00 H new ATOM 629 N ALA A 50 0.101 6.485 7.402 1.00 0.00 N ATOM 630 CA ALA A 50 -0.425 5.130 7.761 1.00 0.00 C ATOM 631 C ALA A 50 -1.167 5.261 9.099 1.00 0.00 C ATOM 632 O ALA A 50 -0.550 5.405 10.138 1.00 0.00 O ATOM 633 CB ALA A 50 0.739 4.150 7.920 1.00 0.00 C ATOM 0 H ALA A 50 0.920 6.780 7.933 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.091 4.759 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.352 3.165 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.291 4.086 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.404 4.500 8.710 1.00 0.00 H new ATOM 639 N LYS A 51 -2.476 5.245 9.098 1.00 0.00 N ATOM 640 CA LYS A 51 -3.215 5.405 10.386 1.00 0.00 C ATOM 641 C LYS A 51 -4.387 4.432 10.455 1.00 0.00 C ATOM 642 O LYS A 51 -4.856 3.925 9.453 1.00 0.00 O ATOM 643 CB LYS A 51 -3.739 6.838 10.494 1.00 0.00 C ATOM 644 CG LYS A 51 -4.242 7.301 9.126 1.00 0.00 C ATOM 645 CD LYS A 51 -4.483 8.811 9.155 1.00 0.00 C ATOM 646 CE LYS A 51 -4.069 9.420 7.815 1.00 0.00 C ATOM 647 NZ LYS A 51 -4.046 10.904 7.929 1.00 0.00 N ATOM 0 H LYS A 51 -3.060 5.129 8.270 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.534 5.193 11.211 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.545 6.888 11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.948 7.500 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.512 7.053 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.164 6.780 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.535 9.018 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.912 9.265 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.085 9.052 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.766 9.116 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.764 11.318 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.993 11.247 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.364 11.185 8.662 1.00 0.00 H new ATOM 661 N ARG A 52 -4.861 4.172 11.642 1.00 0.00 N ATOM 662 CA ARG A 52 -6.002 3.229 11.798 1.00 0.00 C ATOM 663 C ARG A 52 -7.113 3.877 12.640 1.00 0.00 C ATOM 664 O ARG A 52 -7.182 3.691 13.839 1.00 0.00 O ATOM 665 CB ARG A 52 -5.512 1.960 12.475 1.00 0.00 C ATOM 666 CG ARG A 52 -4.818 1.068 11.444 1.00 0.00 C ATOM 667 CD ARG A 52 -3.712 0.262 12.126 1.00 0.00 C ATOM 668 NE ARG A 52 -4.216 -0.279 13.420 1.00 0.00 N ATOM 669 CZ ARG A 52 -3.426 -0.329 14.459 1.00 0.00 C ATOM 670 NH1 ARG A 52 -2.320 -1.017 14.402 1.00 0.00 N ATOM 671 NH2 ARG A 52 -3.745 0.309 15.552 1.00 0.00 N ATOM 0 H ARG A 52 -4.507 4.572 12.511 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.407 2.986 10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.821 2.208 13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.350 1.429 12.926 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.542 0.395 10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.397 1.678 10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.391 -0.554 11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.841 0.894 12.299 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.178 -0.610 13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.073 -1.515 13.547 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.702 -1.057 15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.611 0.846 15.595 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.128 0.270 16.364 1.00 0.00 H new ATOM 685 N GLN A 53 -7.984 4.637 12.022 1.00 0.00 N ATOM 686 CA GLN A 53 -9.086 5.293 12.786 1.00 0.00 C ATOM 687 C GLN A 53 -9.751 4.265 13.703 1.00 0.00 C ATOM 688 O GLN A 53 -9.635 3.074 13.496 1.00 0.00 O ATOM 689 CB GLN A 53 -10.122 5.852 11.809 1.00 0.00 C ATOM 690 CG GLN A 53 -9.865 7.343 11.586 1.00 0.00 C ATOM 691 CD GLN A 53 -10.877 8.162 12.390 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.155 7.855 13.532 1.00 0.00 O ATOM 693 NE2 GLN A 53 -11.444 9.199 11.836 1.00 0.00 N ATOM 0 H GLN A 53 -7.978 4.830 11.021 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.679 6.106 13.387 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.068 5.318 10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.127 5.701 12.203 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.850 7.598 11.892 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.948 7.582 10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.210 9.456 10.877 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.121 9.752 12.362 1.00 0.00 H new ATOM 702 N LEU A 54 -10.436 4.711 14.725 1.00 0.00 N ATOM 703 CA LEU A 54 -11.082 3.743 15.656 1.00 0.00 C ATOM 704 C LEU A 54 -12.568 4.069 15.852 1.00 0.00 C ATOM 705 O LEU A 54 -12.947 4.750 16.783 1.00 0.00 O ATOM 706 CB LEU A 54 -10.375 3.800 17.010 1.00 0.00 C ATOM 707 CG LEU A 54 -10.133 2.378 17.520 1.00 0.00 C ATOM 708 CD1 LEU A 54 -8.667 1.999 17.299 1.00 0.00 C ATOM 709 CD2 LEU A 54 -10.457 2.309 19.012 1.00 0.00 C ATOM 0 H LEU A 54 -10.574 5.696 14.952 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.001 2.745 15.225 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.427 4.330 16.915 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.981 4.356 17.725 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.774 1.684 16.976 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.494 0.986 17.662 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.435 2.047 16.235 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.026 2.693 17.842 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.285 1.296 19.375 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.817 3.003 19.556 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.501 2.578 19.170 1.00 0.00 H new ATOM 721 N VAL A 55 -13.414 3.552 15.001 1.00 0.00 N ATOM 722 CA VAL A 55 -14.876 3.785 15.153 1.00 0.00 C ATOM 723 C VAL A 55 -15.521 2.410 15.346 1.00 0.00 C ATOM 724 O VAL A 55 -14.861 1.495 15.797 1.00 0.00 O ATOM 725 CB VAL A 55 -15.417 4.477 13.894 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.645 3.449 12.781 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.736 5.182 14.221 1.00 0.00 C ATOM 0 H VAL A 55 -13.151 2.975 14.202 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.099 4.430 16.003 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.687 5.211 13.553 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.029 3.953 11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.702 2.958 12.540 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.367 2.704 13.116 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.118 5.673 13.326 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.463 4.449 14.572 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.567 5.927 14.999 1.00 0.00 H new ATOM 737 N SER A 56 -16.776 2.230 15.009 1.00 0.00 N ATOM 738 CA SER A 56 -17.383 0.871 15.181 1.00 0.00 C ATOM 739 C SER A 56 -16.369 -0.180 14.723 1.00 0.00 C ATOM 740 O SER A 56 -16.334 -1.286 15.216 1.00 0.00 O ATOM 741 CB SER A 56 -18.654 0.739 14.329 1.00 0.00 C ATOM 742 OG SER A 56 -18.313 0.878 12.957 1.00 0.00 O ATOM 0 H SER A 56 -17.395 2.947 14.631 1.00 0.00 H new ATOM 0 HA SER A 56 -17.643 0.726 16.230 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.124 -0.229 14.503 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.379 1.501 14.615 1.00 0.00 H new ATOM 0 HG SER A 56 -19.121 0.793 12.409 1.00 0.00 H new ATOM 748 N GLY A 57 -15.528 0.182 13.798 1.00 0.00 N ATOM 749 CA GLY A 57 -14.486 -0.750 13.299 1.00 0.00 C ATOM 750 C GLY A 57 -13.235 0.096 13.017 1.00 0.00 C ATOM 751 O GLY A 57 -13.316 1.308 13.002 1.00 0.00 O ATOM 0 H GLY A 57 -15.520 1.103 13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.272 -1.523 14.038 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.822 -1.258 12.395 1.00 0.00 H new ATOM 755 N ILE A 58 -12.079 -0.480 12.799 1.00 0.00 N ATOM 756 CA ILE A 58 -10.907 0.396 12.537 1.00 0.00 C ATOM 757 C ILE A 58 -10.858 0.761 11.063 1.00 0.00 C ATOM 758 O ILE A 58 -11.214 -0.016 10.204 1.00 0.00 O ATOM 759 CB ILE A 58 -9.610 -0.315 12.892 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.565 -0.568 14.389 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.429 0.565 12.492 1.00 0.00 C ATOM 762 CD1 ILE A 58 -10.056 -1.979 14.645 1.00 0.00 C ATOM 0 H ILE A 58 -11.902 -1.485 12.791 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.013 1.290 13.151 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.557 -1.265 12.361 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.549 -0.445 14.765 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.190 0.153 14.916 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.497 0.060 12.744 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.461 0.752 11.419 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.484 1.513 13.027 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.033 -2.184 15.715 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.077 -2.081 14.278 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.412 -2.688 14.126 1.00 0.00 H new ATOM 774 N LYS A 59 -10.374 1.920 10.753 1.00 0.00 N ATOM 775 CA LYS A 59 -10.248 2.294 9.327 1.00 0.00 C ATOM 776 C LYS A 59 -8.771 2.491 9.079 1.00 0.00 C ATOM 777 O LYS A 59 -8.092 3.160 9.819 1.00 0.00 O ATOM 778 CB LYS A 59 -11.008 3.581 9.016 1.00 0.00 C ATOM 779 CG LYS A 59 -12.086 3.823 10.078 1.00 0.00 C ATOM 780 CD LYS A 59 -13.228 4.639 9.471 1.00 0.00 C ATOM 781 CE LYS A 59 -13.710 5.677 10.486 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.053 6.943 9.779 1.00 0.00 N ATOM 0 H LYS A 59 -10.061 2.624 11.422 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.672 1.520 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.317 4.424 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.467 3.513 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.464 2.871 10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.660 4.353 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.891 5.134 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.050 3.981 9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.581 5.300 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.934 5.862 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.381 7.648 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.211 7.305 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.807 6.760 9.086 1.00 0.00 H new ATOM 796 N TYR A 60 -8.269 1.887 8.070 1.00 0.00 N ATOM 797 CA TYR A 60 -6.812 1.998 7.791 1.00 0.00 C ATOM 798 C TYR A 60 -6.585 2.963 6.638 1.00 0.00 C ATOM 799 O TYR A 60 -6.681 2.592 5.489 1.00 0.00 O ATOM 800 CB TYR A 60 -6.269 0.622 7.427 1.00 0.00 C ATOM 801 CG TYR A 60 -6.170 -0.256 8.669 1.00 0.00 C ATOM 802 CD1 TYR A 60 -7.277 -0.418 9.520 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.972 -0.927 8.969 1.00 0.00 C ATOM 804 CE1 TYR A 60 -7.179 -1.234 10.647 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.883 -1.740 10.099 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.985 -1.894 10.939 1.00 0.00 C ATOM 807 OH TYR A 60 -5.895 -2.700 12.055 1.00 0.00 O ATOM 0 H TYR A 60 -8.796 1.313 7.412 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.295 2.373 8.675 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.920 0.150 6.691 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.287 0.722 6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.205 0.090 9.301 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.116 -0.813 8.321 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.033 -1.356 11.297 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.959 -2.251 10.324 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.995 -3.084 12.109 1.00 0.00 H new ATOM 817 N ILE A 61 -6.268 4.195 6.914 1.00 0.00 N ATOM 818 CA ILE A 61 -6.039 5.135 5.805 1.00 0.00 C ATOM 819 C ILE A 61 -4.546 5.222 5.558 1.00 0.00 C ATOM 820 O ILE A 61 -3.778 5.597 6.418 1.00 0.00 O ATOM 821 CB ILE A 61 -6.527 6.517 6.168 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.443 6.479 7.398 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.278 7.127 4.983 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.593 5.500 7.155 1.00 0.00 C ATOM 0 H ILE A 61 -6.160 4.581 7.852 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.575 4.781 4.925 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.659 7.131 6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.875 6.176 8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.837 7.475 7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.629 8.124 5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.610 7.194 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.131 6.498 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.241 5.476 8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.168 5.822 6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.190 4.503 6.974 1.00 0.00 H new ATOM 836 N LEU A 62 -4.133 4.843 4.410 1.00 0.00 N ATOM 837 CA LEU A 62 -2.728 4.842 4.082 1.00 0.00 C ATOM 838 C LEU A 62 -2.445 5.734 2.894 1.00 0.00 C ATOM 839 O LEU A 62 -3.263 5.909 2.017 1.00 0.00 O ATOM 840 CB LEU A 62 -2.423 3.441 3.695 1.00 0.00 C ATOM 841 CG LEU A 62 -0.989 3.118 4.013 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.826 1.635 3.850 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.076 3.833 3.038 1.00 0.00 C ATOM 0 H LEU A 62 -4.744 4.522 3.659 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.133 5.203 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.085 2.757 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.608 3.301 2.630 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.735 3.434 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.204 1.356 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.498 1.118 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.066 1.353 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.962 3.597 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.303 3.508 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.230 4.909 3.118 1.00 0.00 H new ATOM 855 N GLN A 63 -1.267 6.240 2.837 1.00 0.00 N ATOM 856 CA GLN A 63 -0.852 7.055 1.691 1.00 0.00 C ATOM 857 C GLN A 63 0.558 6.654 1.365 1.00 0.00 C ATOM 858 O GLN A 63 1.346 6.343 2.232 1.00 0.00 O ATOM 859 CB GLN A 63 -0.816 8.520 2.012 1.00 0.00 C ATOM 860 CG GLN A 63 -2.202 9.143 1.863 1.00 0.00 C ATOM 861 CD GLN A 63 -2.978 9.003 3.175 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.572 7.977 3.436 1.00 0.00 O ATOM 863 NE2 GLN A 63 -2.998 10.002 4.016 1.00 0.00 N ATOM 0 H GLN A 63 -0.554 6.120 3.556 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.561 6.895 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.455 8.665 3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.113 9.025 1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.111 10.195 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.745 8.654 1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.499 10.864 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.513 9.920 4.893 1.00 0.00 H new ATOM 872 N VAL A 64 0.885 6.708 0.138 1.00 0.00 N ATOM 873 CA VAL A 64 2.273 6.365 -0.276 1.00 0.00 C ATOM 874 C VAL A 64 2.491 6.837 -1.712 1.00 0.00 C ATOM 875 O VAL A 64 1.607 6.741 -2.536 1.00 0.00 O ATOM 876 CB VAL A 64 2.536 4.826 -0.216 1.00 0.00 C ATOM 877 CG1 VAL A 64 1.876 4.195 1.002 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.974 4.151 -1.454 1.00 0.00 C ATOM 0 H VAL A 64 0.258 6.976 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 64 2.959 6.857 0.413 1.00 0.00 H new ATOM 0 HB VAL A 64 3.615 4.686 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.079 3.124 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.276 4.649 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.799 4.359 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.163 3.079 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.900 4.328 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.455 4.561 -2.342 1.00 0.00 H new ATOM 888 N GLU A 65 3.666 7.293 -2.035 1.00 0.00 N ATOM 889 CA GLU A 65 3.926 7.693 -3.443 1.00 0.00 C ATOM 890 C GLU A 65 4.341 6.415 -4.165 1.00 0.00 C ATOM 891 O GLU A 65 5.482 6.231 -4.482 1.00 0.00 O ATOM 892 CB GLU A 65 5.058 8.728 -3.507 1.00 0.00 C ATOM 893 CG GLU A 65 6.134 8.380 -2.475 1.00 0.00 C ATOM 894 CD GLU A 65 7.518 8.646 -3.070 1.00 0.00 C ATOM 895 OE1 GLU A 65 7.644 9.601 -3.819 1.00 0.00 O ATOM 896 OE2 GLU A 65 8.427 7.893 -2.765 1.00 0.00 O ATOM 0 H GLU A 65 4.450 7.405 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 65 3.047 8.149 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.492 8.746 -4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.663 9.725 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.994 8.976 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.047 7.334 -2.183 1.00 0.00 H new ATOM 903 N ILE A 66 3.393 5.532 -4.363 1.00 0.00 N ATOM 904 CA ILE A 66 3.633 4.190 -4.992 1.00 0.00 C ATOM 905 C ILE A 66 4.884 4.136 -5.821 1.00 0.00 C ATOM 906 O ILE A 66 5.333 5.087 -6.434 1.00 0.00 O ATOM 907 CB ILE A 66 2.409 3.744 -5.813 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.120 4.384 -5.291 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.228 2.230 -5.732 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.774 3.797 -3.927 1.00 0.00 C ATOM 0 H ILE A 66 2.420 5.693 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 66 3.783 3.489 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 66 2.593 4.058 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.244 5.464 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.304 4.207 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.358 1.936 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.116 1.736 -6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.081 1.936 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.144 4.254 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.632 2.720 -4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.586 3.997 -3.228 1.00 0.00 H new ATOM 922 N GLY A 67 5.449 2.970 -5.777 1.00 0.00 N ATOM 923 CA GLY A 67 6.696 2.686 -6.447 1.00 0.00 C ATOM 924 C GLY A 67 6.410 1.956 -7.770 1.00 0.00 C ATOM 925 O GLY A 67 5.268 1.716 -8.106 1.00 0.00 O ATOM 0 H GLY A 67 5.059 2.174 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.237 3.612 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.332 2.072 -5.810 1.00 0.00 H new ATOM 929 N ARG A 68 7.416 1.536 -8.499 1.00 0.00 N ATOM 930 CA ARG A 68 7.151 0.799 -9.759 1.00 0.00 C ATOM 931 C ARG A 68 8.448 0.235 -10.220 1.00 0.00 C ATOM 932 O ARG A 68 9.504 0.612 -9.754 1.00 0.00 O ATOM 933 CB ARG A 68 6.584 1.691 -10.858 1.00 0.00 C ATOM 934 CG ARG A 68 5.058 1.716 -10.770 1.00 0.00 C ATOM 935 CD ARG A 68 4.463 1.297 -12.116 1.00 0.00 C ATOM 936 NE ARG A 68 4.332 2.492 -12.995 1.00 0.00 N ATOM 937 CZ ARG A 68 3.199 2.738 -13.593 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.111 2.891 -12.890 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.154 2.834 -14.893 1.00 0.00 N ATOM 0 H ARG A 68 8.401 1.674 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 68 6.406 0.028 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.980 2.702 -10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.895 1.322 -11.835 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.717 1.042 -9.984 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.715 2.716 -10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.100 0.551 -12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.488 0.834 -11.966 1.00 0.00 H new ATOM 0 HE ARG A 68 5.127 3.117 -13.129 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.146 2.818 -11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.225 3.083 -13.357 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.005 2.717 -15.443 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.268 3.026 -15.360 1.00 0.00 H new ATOM 953 N THR A 69 8.395 -0.706 -11.085 1.00 0.00 N ATOM 954 CA THR A 69 9.624 -1.325 -11.502 1.00 0.00 C ATOM 955 C THR A 69 9.433 -1.856 -12.920 1.00 0.00 C ATOM 956 O THR A 69 8.916 -2.941 -13.127 1.00 0.00 O ATOM 957 CB THR A 69 9.926 -2.427 -10.493 1.00 0.00 C ATOM 958 OG1 THR A 69 9.439 -3.674 -10.971 1.00 0.00 O ATOM 959 CG2 THR A 69 9.268 -2.084 -9.136 1.00 0.00 C ATOM 0 H THR A 69 7.545 -1.068 -11.517 1.00 0.00 H new ATOM 0 HA THR A 69 10.467 -0.634 -11.527 1.00 0.00 H new ATOM 0 HB THR A 69 11.005 -2.502 -10.358 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.657 -3.523 -11.542 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.485 -2.873 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.665 -1.138 -8.768 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.189 -1.999 -9.266 1.00 0.00 H new ATOM 967 N THR A 70 9.812 -1.060 -13.894 1.00 0.00 N ATOM 968 CA THR A 70 9.637 -1.461 -15.325 1.00 0.00 C ATOM 969 C THR A 70 10.252 -2.830 -15.556 1.00 0.00 C ATOM 970 O THR A 70 9.638 -3.715 -16.113 1.00 0.00 O ATOM 971 CB THR A 70 10.325 -0.443 -16.244 1.00 0.00 C ATOM 972 OG1 THR A 70 10.027 -0.750 -17.598 1.00 0.00 O ATOM 973 CG2 THR A 70 11.839 -0.473 -16.036 1.00 0.00 C ATOM 0 H THR A 70 10.238 -0.144 -13.756 1.00 0.00 H new ATOM 0 HA THR A 70 8.571 -1.494 -15.550 1.00 0.00 H new ATOM 0 HB THR A 70 9.957 0.554 -16.002 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.465 -0.099 -18.185 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.311 0.255 -16.696 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.069 -0.226 -14.999 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.218 -1.469 -16.264 1.00 0.00 H new ATOM 981 N CYS A 71 11.462 -3.006 -15.134 1.00 0.00 N ATOM 982 CA CYS A 71 12.123 -4.326 -15.329 1.00 0.00 C ATOM 983 C CYS A 71 11.128 -5.432 -14.952 1.00 0.00 C ATOM 984 O CYS A 71 10.673 -5.478 -13.827 1.00 0.00 O ATOM 985 CB CYS A 71 13.354 -4.419 -14.427 1.00 0.00 C ATOM 986 SG CYS A 71 13.981 -6.119 -14.442 1.00 0.00 S ATOM 0 H CYS A 71 12.026 -2.299 -14.663 1.00 0.00 H new ATOM 0 HA CYS A 71 12.432 -4.439 -16.368 1.00 0.00 H new ATOM 0 HB2 CYS A 71 14.126 -3.732 -14.774 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.097 -4.123 -13.410 1.00 0.00 H new ATOM 991 N PRO A 72 10.805 -6.290 -15.892 1.00 0.00 N ATOM 992 CA PRO A 72 9.841 -7.404 -15.655 1.00 0.00 C ATOM 993 C PRO A 72 10.528 -8.525 -14.854 1.00 0.00 C ATOM 994 O PRO A 72 11.633 -8.359 -14.381 1.00 0.00 O ATOM 995 CB PRO A 72 9.479 -7.860 -17.066 1.00 0.00 C ATOM 996 CG PRO A 72 10.625 -7.440 -17.976 1.00 0.00 C ATOM 997 CD PRO A 72 11.348 -6.277 -17.294 1.00 0.00 C ATOM 0 HA PRO A 72 8.963 -7.116 -15.077 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.337 -8.940 -17.098 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.543 -7.406 -17.390 1.00 0.00 H new ATOM 0 HG2 PRO A 72 11.309 -8.273 -18.142 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.248 -7.138 -18.953 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.429 -6.416 -17.306 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.143 -5.330 -17.794 1.00 0.00 H new ATOM 1005 N LYS A 73 9.896 -9.664 -14.689 1.00 0.00 N ATOM 1006 CA LYS A 73 10.544 -10.760 -13.913 1.00 0.00 C ATOM 1007 C LYS A 73 11.578 -11.482 -14.791 1.00 0.00 C ATOM 1008 O LYS A 73 12.545 -12.026 -14.295 1.00 0.00 O ATOM 1009 CB LYS A 73 9.479 -11.760 -13.457 1.00 0.00 C ATOM 1010 CG LYS A 73 8.851 -12.434 -14.679 1.00 0.00 C ATOM 1011 CD LYS A 73 7.352 -12.133 -14.714 1.00 0.00 C ATOM 1012 CE LYS A 73 6.666 -12.822 -13.532 1.00 0.00 C ATOM 1013 NZ LYS A 73 5.236 -12.406 -13.477 1.00 0.00 N ATOM 0 H LYS A 73 8.968 -9.877 -15.056 1.00 0.00 H new ATOM 0 HA LYS A 73 11.045 -10.335 -13.043 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.926 -12.510 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.711 -11.249 -12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.326 -12.073 -15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.016 -13.511 -14.638 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.185 -11.057 -14.668 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.922 -12.483 -15.652 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.737 -13.905 -13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.169 -12.558 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.769 -12.874 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.179 -11.374 -13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.761 -12.679 -14.361 1.00 0.00 H new ATOM 1027 N SER A 74 11.387 -11.502 -16.089 1.00 0.00 N ATOM 1028 CA SER A 74 12.366 -12.202 -16.971 1.00 0.00 C ATOM 1029 C SER A 74 13.584 -11.304 -17.222 1.00 0.00 C ATOM 1030 O SER A 74 14.709 -11.762 -17.212 1.00 0.00 O ATOM 1031 CB SER A 74 11.695 -12.531 -18.307 1.00 0.00 C ATOM 1032 OG SER A 74 11.062 -11.367 -18.818 1.00 0.00 O ATOM 0 H SER A 74 10.600 -11.066 -16.570 1.00 0.00 H new ATOM 0 HA SER A 74 12.695 -13.120 -16.484 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.436 -12.897 -19.018 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.962 -13.327 -18.172 1.00 0.00 H new ATOM 0 HG SER A 74 10.634 -11.577 -19.674 1.00 0.00 H new ATOM 1038 N SER A 75 13.375 -10.032 -17.457 1.00 0.00 N ATOM 1039 CA SER A 75 14.532 -9.127 -17.719 1.00 0.00 C ATOM 1040 C SER A 75 15.141 -8.648 -16.396 1.00 0.00 C ATOM 1041 O SER A 75 15.506 -7.498 -16.256 1.00 0.00 O ATOM 1042 CB SER A 75 14.053 -7.916 -18.521 1.00 0.00 C ATOM 1043 OG SER A 75 14.891 -7.737 -19.653 1.00 0.00 O ATOM 0 H SER A 75 12.458 -9.585 -17.478 1.00 0.00 H new ATOM 0 HA SER A 75 15.289 -9.672 -18.282 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.021 -8.062 -18.839 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.071 -7.023 -17.897 1.00 0.00 H new ATOM 0 HG SER A 75 14.584 -6.962 -20.168 1.00 0.00 H new ATOM 1049 N GLY A 76 15.262 -9.514 -15.424 1.00 0.00 N ATOM 1050 CA GLY A 76 15.853 -9.089 -14.123 1.00 0.00 C ATOM 1051 C GLY A 76 16.773 -10.196 -13.591 1.00 0.00 C ATOM 1052 O GLY A 76 17.871 -10.383 -14.075 1.00 0.00 O ATOM 0 H GLY A 76 14.978 -10.492 -15.475 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.416 -8.165 -14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.062 -8.882 -13.403 1.00 0.00 H new ATOM 1056 N ASP A 77 16.336 -10.936 -12.601 1.00 0.00 N ATOM 1057 CA ASP A 77 17.193 -12.025 -12.051 1.00 0.00 C ATOM 1058 C ASP A 77 18.634 -11.532 -11.908 1.00 0.00 C ATOM 1059 O ASP A 77 19.576 -12.268 -12.131 1.00 0.00 O ATOM 1060 CB ASP A 77 17.159 -13.225 -13.000 1.00 0.00 C ATOM 1061 CG ASP A 77 15.800 -13.920 -12.896 1.00 0.00 C ATOM 1062 OD1 ASP A 77 15.457 -14.348 -11.805 1.00 0.00 O ATOM 1063 OD2 ASP A 77 15.124 -14.012 -13.908 1.00 0.00 O ATOM 0 H ASP A 77 15.426 -10.831 -12.153 1.00 0.00 H new ATOM 0 HA ASP A 77 16.816 -12.319 -11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.334 -12.897 -14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.957 -13.924 -12.748 1.00 0.00 H new ATOM 1068 N LEU A 78 18.820 -10.294 -11.536 1.00 0.00 N ATOM 1069 CA LEU A 78 20.206 -9.767 -11.380 1.00 0.00 C ATOM 1070 C LEU A 78 20.296 -8.933 -10.095 1.00 0.00 C ATOM 1071 O LEU A 78 20.704 -9.424 -9.060 1.00 0.00 O ATOM 1072 CB LEU A 78 20.560 -8.892 -12.584 1.00 0.00 C ATOM 1073 CG LEU A 78 21.743 -9.512 -13.331 1.00 0.00 C ATOM 1074 CD1 LEU A 78 21.399 -9.639 -14.817 1.00 0.00 C ATOM 1075 CD2 LEU A 78 22.974 -8.619 -13.166 1.00 0.00 C ATOM 0 H LEU A 78 18.075 -9.627 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 78 20.906 -10.601 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.701 -8.804 -13.249 1.00 0.00 H new ATOM 0 HB3 LEU A 78 20.812 -7.884 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 78 21.954 -10.500 -12.922 1.00 0.00 H new ATOM 0 HD11 LEU A 78 22.242 -10.081 -15.349 1.00 0.00 H new ATOM 0 HD12 LEU A 78 20.522 -10.275 -14.934 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.188 -8.651 -15.227 1.00 0.00 H new ATOM 0 HD21 LEU A 78 23.817 -9.060 -13.698 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.764 -7.631 -13.575 1.00 0.00 H new ATOM 0 HD23 LEU A 78 23.219 -8.529 -12.108 1.00 0.00 H new ATOM 1087 N GLN A 79 19.921 -7.676 -10.143 1.00 0.00 N ATOM 1088 CA GLN A 79 19.994 -6.834 -8.915 1.00 0.00 C ATOM 1089 C GLN A 79 19.688 -5.379 -9.271 1.00 0.00 C ATOM 1090 O GLN A 79 20.575 -4.557 -9.388 1.00 0.00 O ATOM 1091 CB GLN A 79 21.397 -6.928 -8.312 1.00 0.00 C ATOM 1092 CG GLN A 79 21.561 -5.860 -7.228 1.00 0.00 C ATOM 1093 CD GLN A 79 22.716 -6.244 -6.303 1.00 0.00 C ATOM 1094 OE1 GLN A 79 23.832 -6.421 -6.748 1.00 0.00 O ATOM 1095 NE2 GLN A 79 22.494 -6.380 -5.024 1.00 0.00 N ATOM 0 H GLN A 79 19.570 -7.203 -10.976 1.00 0.00 H new ATOM 0 HA GLN A 79 19.263 -7.190 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 79 21.556 -7.919 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 79 22.148 -6.790 -9.090 1.00 0.00 H new ATOM 0 HG2 GLN A 79 21.755 -4.890 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 79 20.639 -5.764 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 79 21.557 -6.231 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 79 23.258 -6.635 -4.398 1.00 0.00 H new ATOM 1104 N SER A 80 18.437 -5.059 -9.438 1.00 0.00 N ATOM 1105 CA SER A 80 18.060 -3.661 -9.781 1.00 0.00 C ATOM 1106 C SER A 80 16.574 -3.618 -10.132 1.00 0.00 C ATOM 1107 O SER A 80 15.730 -3.490 -9.269 1.00 0.00 O ATOM 1108 CB SER A 80 18.892 -3.185 -10.975 1.00 0.00 C ATOM 1109 OG SER A 80 19.227 -4.297 -11.792 1.00 0.00 O ATOM 0 H SER A 80 17.655 -5.709 -9.351 1.00 0.00 H new ATOM 0 HA SER A 80 18.252 -3.006 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.331 -2.451 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 80 19.798 -2.690 -10.626 1.00 0.00 H new ATOM 0 HG SER A 80 19.758 -3.993 -12.557 1.00 0.00 H new ATOM 1115 N CYS A 81 16.256 -3.735 -11.389 1.00 0.00 N ATOM 1116 CA CYS A 81 14.826 -3.715 -11.821 1.00 0.00 C ATOM 1117 C CYS A 81 14.045 -2.678 -11.014 1.00 0.00 C ATOM 1118 O CYS A 81 13.593 -2.941 -9.917 1.00 0.00 O ATOM 1119 CB CYS A 81 14.213 -5.099 -11.602 1.00 0.00 C ATOM 1120 SG CYS A 81 15.005 -6.291 -12.708 1.00 0.00 S ATOM 0 H CYS A 81 16.931 -3.845 -12.146 1.00 0.00 H new ATOM 0 HA CYS A 81 14.776 -3.451 -12.877 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.344 -5.407 -10.565 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.140 -5.068 -11.792 1.00 0.00 H new ATOM 1125 N GLU A 82 13.878 -1.498 -11.543 1.00 0.00 N ATOM 1126 CA GLU A 82 13.127 -0.457 -10.789 1.00 0.00 C ATOM 1127 C GLU A 82 12.281 0.395 -11.739 1.00 0.00 C ATOM 1128 O GLU A 82 12.327 0.243 -12.945 1.00 0.00 O ATOM 1129 CB GLU A 82 14.119 0.444 -10.051 1.00 0.00 C ATOM 1130 CG GLU A 82 13.925 0.285 -8.541 1.00 0.00 C ATOM 1131 CD GLU A 82 14.945 -0.716 -7.998 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.114 -0.369 -7.939 1.00 0.00 O ATOM 1133 OE2 GLU A 82 14.541 -1.813 -7.650 1.00 0.00 O ATOM 0 H GLU A 82 14.226 -1.211 -12.458 1.00 0.00 H new ATOM 0 HA GLU A 82 12.464 -0.950 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.140 0.182 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 82 13.968 1.484 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.045 1.248 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.913 -0.059 -8.328 1.00 0.00 H new ATOM 1140 N PHE A 83 11.488 1.272 -11.166 1.00 0.00 N ATOM 1141 CA PHE A 83 10.590 2.180 -11.955 1.00 0.00 C ATOM 1142 C PHE A 83 11.096 2.319 -13.394 1.00 0.00 C ATOM 1143 O PHE A 83 10.501 1.829 -14.334 1.00 0.00 O ATOM 1144 CB PHE A 83 10.660 3.556 -11.335 1.00 0.00 C ATOM 1145 CG PHE A 83 9.440 3.904 -10.507 1.00 0.00 C ATOM 1146 CD1 PHE A 83 8.295 4.491 -11.090 1.00 0.00 C ATOM 1147 CD2 PHE A 83 9.478 3.697 -9.133 1.00 0.00 C ATOM 1148 CE1 PHE A 83 7.196 4.844 -10.292 1.00 0.00 C ATOM 1149 CE2 PHE A 83 8.403 4.045 -8.355 1.00 0.00 C ATOM 1150 CZ PHE A 83 7.256 4.613 -8.902 1.00 0.00 C ATOM 0 H PHE A 83 11.424 1.399 -10.156 1.00 0.00 H new ATOM 0 HA PHE A 83 9.580 1.769 -11.951 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.547 3.618 -10.705 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.777 4.297 -12.125 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.265 4.669 -12.155 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.355 3.262 -8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.317 5.286 -10.736 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.448 3.874 -7.290 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.421 4.874 -8.269 1.00 0.00 H new ATOM 1160 N HIS A 84 12.215 2.990 -13.555 1.00 0.00 N ATOM 1161 CA HIS A 84 12.804 3.181 -14.909 1.00 0.00 C ATOM 1162 C HIS A 84 14.298 3.460 -14.775 1.00 0.00 C ATOM 1163 O HIS A 84 14.851 4.347 -15.395 1.00 0.00 O ATOM 1164 CB HIS A 84 12.116 4.332 -15.626 1.00 0.00 C ATOM 1165 CG HIS A 84 11.295 3.794 -16.767 1.00 0.00 C ATOM 1166 ND1 HIS A 84 11.873 3.324 -17.935 1.00 0.00 N ATOM 1167 CD2 HIS A 84 9.942 3.643 -16.930 1.00 0.00 C ATOM 1168 CE1 HIS A 84 10.880 2.917 -18.744 1.00 0.00 C ATOM 1169 NE2 HIS A 84 9.681 3.090 -18.181 1.00 0.00 N ATOM 0 H HIS A 84 12.745 3.415 -12.794 1.00 0.00 H new ATOM 0 HA HIS A 84 12.657 2.274 -15.496 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.478 4.878 -14.931 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.858 5.038 -15.999 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.193 3.912 -16.200 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.033 2.501 -19.729 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.770 2.865 -18.581 1.00 0.00 H new ATOM 1177 N ASP A 85 14.944 2.668 -13.979 1.00 0.00 N ATOM 1178 CA ASP A 85 16.418 2.794 -13.772 1.00 0.00 C ATOM 1179 C ASP A 85 16.843 4.233 -13.438 1.00 0.00 C ATOM 1180 O ASP A 85 17.992 4.585 -13.613 1.00 0.00 O ATOM 1181 CB ASP A 85 17.138 2.343 -15.044 1.00 0.00 C ATOM 1182 CG ASP A 85 17.400 0.837 -14.977 1.00 0.00 C ATOM 1183 OD1 ASP A 85 16.440 0.086 -15.032 1.00 0.00 O ATOM 1184 OD2 ASP A 85 18.555 0.461 -14.872 1.00 0.00 O ATOM 0 H ASP A 85 14.507 1.916 -13.446 1.00 0.00 H new ATOM 0 HA ASP A 85 16.688 2.166 -12.923 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.533 2.579 -15.920 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.079 2.882 -15.152 1.00 0.00 H new ATOM 1189 N GLU A 86 15.959 5.071 -12.953 1.00 0.00 N ATOM 1190 CA GLU A 86 16.390 6.472 -12.619 1.00 0.00 C ATOM 1191 C GLU A 86 15.175 7.388 -12.434 1.00 0.00 C ATOM 1192 O GLU A 86 14.094 7.072 -12.883 1.00 0.00 O ATOM 1193 CB GLU A 86 17.255 7.022 -13.757 1.00 0.00 C ATOM 1194 CG GLU A 86 16.738 6.490 -15.095 1.00 0.00 C ATOM 1195 CD GLU A 86 16.935 7.553 -16.179 1.00 0.00 C ATOM 1196 OE1 GLU A 86 16.136 8.473 -16.228 1.00 0.00 O ATOM 1197 OE2 GLU A 86 17.882 7.428 -16.937 1.00 0.00 O ATOM 0 H GLU A 86 14.978 4.856 -12.776 1.00 0.00 H new ATOM 0 HA GLU A 86 16.957 6.445 -11.688 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.230 8.112 -13.753 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.294 6.727 -13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.269 5.577 -15.365 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.682 6.232 -15.012 1.00 0.00 H new ATOM 1204 N PRO A 87 15.411 8.519 -11.805 1.00 0.00 N ATOM 1205 CA PRO A 87 14.363 9.568 -11.541 1.00 0.00 C ATOM 1206 C PRO A 87 13.855 10.111 -12.880 1.00 0.00 C ATOM 1207 O PRO A 87 13.865 9.391 -13.859 1.00 0.00 O ATOM 1208 CB PRO A 87 15.121 10.617 -10.727 1.00 0.00 C ATOM 1209 CG PRO A 87 16.596 10.414 -11.029 1.00 0.00 C ATOM 1210 CD PRO A 87 16.767 8.922 -11.307 1.00 0.00 C ATOM 0 HA PRO A 87 13.479 9.214 -11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.804 11.623 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.923 10.499 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.904 11.009 -11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.213 10.727 -10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.543 8.735 -12.050 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.048 8.373 -10.408 1.00 0.00 H new ATOM 1218 N GLU A 88 13.409 11.354 -12.936 1.00 0.00 N ATOM 1219 CA GLU A 88 12.897 11.929 -14.230 1.00 0.00 C ATOM 1220 C GLU A 88 12.338 10.803 -15.099 1.00 0.00 C ATOM 1221 O GLU A 88 12.637 10.689 -16.271 1.00 0.00 O ATOM 1222 CB GLU A 88 14.046 12.620 -14.970 1.00 0.00 C ATOM 1223 CG GLU A 88 13.966 14.130 -14.739 1.00 0.00 C ATOM 1224 CD GLU A 88 14.978 14.536 -13.665 1.00 0.00 C ATOM 1225 OE1 GLU A 88 14.897 14.001 -12.572 1.00 0.00 O ATOM 1226 OE2 GLU A 88 15.814 15.376 -13.954 1.00 0.00 O ATOM 0 H GLU A 88 13.378 11.992 -12.141 1.00 0.00 H new ATOM 0 HA GLU A 88 12.110 12.654 -14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.003 12.237 -14.616 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.990 12.401 -16.036 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.172 14.662 -15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.959 14.408 -14.429 1.00 0.00 H new ATOM 1233 N LEU A 89 11.554 9.952 -14.505 1.00 0.00 N ATOM 1234 CA LEU A 89 10.986 8.793 -15.233 1.00 0.00 C ATOM 1235 C LEU A 89 10.559 7.787 -14.180 1.00 0.00 C ATOM 1236 O LEU A 89 9.465 7.259 -14.207 1.00 0.00 O ATOM 1237 CB LEU A 89 12.047 8.176 -16.148 1.00 0.00 C ATOM 1238 CG LEU A 89 11.812 8.637 -17.589 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.142 9.073 -18.208 1.00 0.00 C ATOM 1240 CD2 LEU A 89 11.225 7.484 -18.403 1.00 0.00 C ATOM 0 H LEU A 89 11.279 10.014 -13.525 1.00 0.00 H new ATOM 0 HA LEU A 89 10.143 9.094 -15.856 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.043 8.472 -15.818 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.003 7.088 -16.091 1.00 0.00 H new ATOM 0 HG LEU A 89 11.116 9.476 -17.594 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.976 9.401 -19.234 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.561 9.895 -17.628 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.838 8.234 -18.204 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.057 7.811 -19.429 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.920 6.645 -18.399 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.278 7.173 -17.962 1.00 0.00 H new ATOM 1252 N ALA A 90 11.409 7.557 -13.221 1.00 0.00 N ATOM 1253 CA ALA A 90 11.051 6.628 -12.126 1.00 0.00 C ATOM 1254 C ALA A 90 10.359 7.412 -11.039 1.00 0.00 C ATOM 1255 O ALA A 90 10.605 7.221 -9.864 1.00 0.00 O ATOM 1256 CB ALA A 90 12.281 5.939 -11.535 1.00 0.00 C ATOM 0 H ALA A 90 12.337 7.975 -13.151 1.00 0.00 H new ATOM 0 HA ALA A 90 10.399 5.855 -12.533 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.972 5.266 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.788 5.368 -12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.962 6.690 -11.135 1.00 0.00 H new ATOM 1262 N LYS A 91 9.477 8.278 -11.420 1.00 0.00 N ATOM 1263 CA LYS A 91 8.753 9.045 -10.416 1.00 0.00 C ATOM 1264 C LYS A 91 7.983 8.052 -9.568 1.00 0.00 C ATOM 1265 O LYS A 91 8.382 6.922 -9.380 1.00 0.00 O ATOM 1266 CB LYS A 91 7.783 10.012 -11.100 1.00 0.00 C ATOM 1267 CG LYS A 91 8.488 10.704 -12.268 1.00 0.00 C ATOM 1268 CD LYS A 91 8.597 12.203 -11.984 1.00 0.00 C ATOM 1269 CE LYS A 91 7.195 12.805 -11.874 1.00 0.00 C ATOM 1270 NZ LYS A 91 7.285 14.169 -11.278 1.00 0.00 N ATOM 0 H LYS A 91 9.233 8.481 -12.389 1.00 0.00 H new ATOM 0 HA LYS A 91 9.438 9.630 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.907 9.471 -11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.428 10.754 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.481 10.277 -12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.933 10.538 -13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.149 12.369 -11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.154 12.695 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.732 12.857 -12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.561 12.168 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.332 14.579 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.711 14.107 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.875 14.774 -11.884 1.00 0.00 H new ATOM 1284 N TYR A 92 6.911 8.482 -9.025 1.00 0.00 N ATOM 1285 CA TYR A 92 6.109 7.639 -8.151 1.00 0.00 C ATOM 1286 C TYR A 92 4.670 8.105 -8.291 1.00 0.00 C ATOM 1287 O TYR A 92 4.382 9.041 -9.010 1.00 0.00 O ATOM 1288 CB TYR A 92 6.663 7.891 -6.775 1.00 0.00 C ATOM 1289 CG TYR A 92 8.159 7.606 -6.842 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.618 6.288 -6.728 1.00 0.00 C ATOM 1291 CD2 TYR A 92 9.081 8.642 -7.082 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.982 6.000 -6.847 1.00 0.00 C ATOM 1293 CE2 TYR A 92 10.446 8.350 -7.194 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.897 7.032 -7.079 1.00 0.00 C ATOM 1295 OH TYR A 92 12.241 6.748 -7.195 1.00 0.00 O ATOM 0 H TYR A 92 6.543 9.424 -9.157 1.00 0.00 H new ATOM 0 HA TYR A 92 6.137 6.573 -8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.479 8.920 -6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.180 7.247 -6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.915 5.489 -6.547 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.736 9.661 -7.180 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.328 4.981 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.153 9.147 -7.370 1.00 0.00 H new ATOM 0 HH TYR A 92 12.738 7.577 -7.356 1.00 0.00 H new ATOM 1305 N THR A 93 3.767 7.471 -7.641 1.00 0.00 N ATOM 1306 CA THR A 93 2.342 7.902 -7.777 1.00 0.00 C ATOM 1307 C THR A 93 1.702 8.003 -6.396 1.00 0.00 C ATOM 1308 O THR A 93 2.087 7.325 -5.474 1.00 0.00 O ATOM 1309 CB THR A 93 1.575 6.913 -8.667 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.399 7.538 -9.165 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.192 5.680 -7.859 1.00 0.00 C ATOM 0 H THR A 93 3.932 6.677 -7.022 1.00 0.00 H new ATOM 0 HA THR A 93 2.303 8.884 -8.249 1.00 0.00 H new ATOM 0 HB THR A 93 2.210 6.612 -9.500 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.090 6.908 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.648 4.982 -8.496 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.094 5.199 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.560 5.976 -7.022 1.00 0.00 H new ATOM 1319 N THR A 94 0.741 8.864 -6.248 1.00 0.00 N ATOM 1320 CA THR A 94 0.092 9.039 -4.916 1.00 0.00 C ATOM 1321 C THR A 94 -1.142 8.157 -4.801 1.00 0.00 C ATOM 1322 O THR A 94 -2.144 8.381 -5.451 1.00 0.00 O ATOM 1323 CB THR A 94 -0.311 10.506 -4.737 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.801 11.341 -5.030 1.00 0.00 O ATOM 1325 CG2 THR A 94 -0.763 10.740 -3.295 1.00 0.00 C ATOM 0 H THR A 94 0.373 9.458 -6.991 1.00 0.00 H new ATOM 0 HA THR A 94 0.801 8.750 -4.140 1.00 0.00 H new ATOM 0 HB THR A 94 -1.131 10.743 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.544 12.280 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.050 11.784 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.617 10.100 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.055 10.503 -2.614 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.075 7.152 -3.977 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.232 6.253 -3.815 1.00 0.00 C ATOM 1335 C CYS A 95 -2.613 6.170 -2.338 1.00 0.00 C ATOM 1336 O CYS A 95 -1.802 6.424 -1.454 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.831 4.887 -4.312 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.275 4.022 -4.970 1.00 0.00 S ATOM 0 H CYS A 95 -0.261 6.919 -3.408 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.087 6.627 -4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.069 4.981 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.390 4.310 -3.499 1.00 0.00 H new ATOM 1343 N THR A 96 -3.842 5.814 -2.072 1.00 0.00 N ATOM 1344 CA THR A 96 -4.305 5.705 -0.664 1.00 0.00 C ATOM 1345 C THR A 96 -4.984 4.348 -0.451 1.00 0.00 C ATOM 1346 O THR A 96 -5.724 3.870 -1.294 1.00 0.00 O ATOM 1347 CB THR A 96 -5.310 6.820 -0.364 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.789 8.061 -0.817 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.564 6.891 1.142 1.00 0.00 C ATOM 0 H THR A 96 -4.546 5.594 -2.776 1.00 0.00 H new ATOM 0 HA THR A 96 -3.447 5.796 0.002 1.00 0.00 H new ATOM 0 HB THR A 96 -6.248 6.610 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.433 8.775 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.280 7.685 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.966 5.939 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.628 7.099 1.659 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.744 3.732 0.676 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.367 2.413 0.967 1.00 0.00 C ATOM 1359 C PHE A 97 -6.353 2.561 2.127 1.00 0.00 C ATOM 1360 O PHE A 97 -6.045 3.148 3.137 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.289 1.410 1.369 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.226 1.318 0.278 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.496 1.765 -1.032 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.977 0.746 0.563 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.524 1.642 -2.028 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.019 0.618 -0.438 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.283 1.063 -1.730 1.00 0.00 C ATOM 0 H PHE A 97 -4.137 4.092 1.413 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.886 2.061 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.830 1.715 2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.737 0.430 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.455 2.203 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.758 0.404 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.729 1.993 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.063 0.170 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.533 0.962 -2.501 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.529 2.020 2.012 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.488 2.138 3.140 1.00 0.00 C ATOM 1379 C VAL A 98 -8.870 0.726 3.580 1.00 0.00 C ATOM 1380 O VAL A 98 -9.601 0.030 2.903 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.715 2.929 2.681 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.940 2.551 3.520 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.435 4.426 2.838 1.00 0.00 C ATOM 0 H VAL A 98 -7.866 1.507 1.197 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.045 2.670 3.982 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.919 2.694 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.804 3.123 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.143 1.486 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.746 2.775 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.306 4.995 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.226 4.649 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.574 4.701 2.229 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.349 0.281 4.690 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.650 -1.103 5.140 1.00 0.00 C ATOM 1395 C VAL A 99 -9.456 -1.097 6.441 1.00 0.00 C ATOM 1396 O VAL A 99 -9.004 -0.626 7.461 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.320 -1.860 5.339 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.339 -2.677 6.637 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.111 -2.788 4.152 1.00 0.00 C ATOM 0 H VAL A 99 -7.731 0.815 5.301 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.253 -1.602 4.381 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.505 -1.139 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.390 -3.200 6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.490 -2.009 7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.151 -3.403 6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.175 -3.332 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.937 -3.497 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.071 -2.201 3.234 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.620 -1.675 6.428 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.409 -1.738 7.683 1.00 0.00 C ATOM 1411 C TYR A 100 -10.949 -2.973 8.460 1.00 0.00 C ATOM 1412 O TYR A 100 -10.729 -4.023 7.888 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.896 -1.835 7.359 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.670 -1.047 8.380 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.426 0.322 8.526 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.626 -1.677 9.183 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.135 1.063 9.473 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.339 -0.936 10.131 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.093 0.436 10.277 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.794 1.165 11.214 1.00 0.00 O ATOM 0 H TYR A 100 -11.056 -2.103 5.611 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.254 -0.839 8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.090 -1.448 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.216 -2.877 7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.688 0.807 7.905 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.814 -2.735 9.071 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -13.944 2.120 9.585 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.079 -1.421 10.750 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.571 0.650 11.515 1.00 0.00 H new ATOM 1430 N SER A 101 -10.759 -2.864 9.748 1.00 0.00 N ATOM 1431 CA SER A 101 -10.271 -4.029 10.520 1.00 0.00 C ATOM 1432 C SER A 101 -11.183 -4.247 11.739 1.00 0.00 C ATOM 1433 O SER A 101 -11.177 -3.472 12.678 1.00 0.00 O ATOM 1434 CB SER A 101 -8.831 -3.706 10.957 1.00 0.00 C ATOM 1435 OG SER A 101 -8.853 -3.019 12.189 1.00 0.00 O ATOM 0 H SER A 101 -10.922 -2.017 10.293 1.00 0.00 H new ATOM 0 HA SER A 101 -10.285 -4.943 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.254 -4.626 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.338 -3.098 10.199 1.00 0.00 H new ATOM 0 HG SER A 101 -7.996 -2.563 12.325 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.971 -5.291 11.719 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.896 -5.582 12.861 1.00 0.00 C ATOM 1443 C ILE A 102 -12.199 -6.572 13.813 1.00 0.00 C ATOM 1444 O ILE A 102 -12.108 -7.743 13.512 1.00 0.00 O ATOM 1445 CB ILE A 102 -14.182 -6.213 12.310 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.466 -5.640 10.913 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -15.350 -5.894 13.246 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.938 -5.851 10.542 1.00 0.00 C ATOM 0 H ILE A 102 -12.015 -5.963 10.953 1.00 0.00 H new ATOM 0 HA ILE A 102 -13.143 -4.666 13.397 1.00 0.00 H new ATOM 0 HB ILE A 102 -14.062 -7.294 12.243 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.227 -4.577 10.893 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.825 -6.124 10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -16.263 -6.342 12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -15.143 -6.299 14.237 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.477 -4.814 13.314 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.126 -5.440 9.550 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.164 -6.917 10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.573 -5.346 11.270 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.704 -6.079 14.923 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.970 -6.917 15.933 1.00 0.00 C ATOM 1462 C PRO A 103 -11.877 -7.955 16.609 1.00 0.00 C ATOM 1463 O PRO A 103 -11.541 -9.121 16.668 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.454 -5.887 16.932 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.341 -4.664 16.788 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.810 -4.642 15.334 1.00 0.00 C ATOM 0 HA PRO A 103 -10.178 -7.513 15.480 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.495 -6.278 17.949 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.413 -5.637 16.728 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -12.190 -4.717 17.469 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.792 -3.755 17.033 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.831 -4.271 15.245 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -11.182 -3.999 14.717 1.00 0.00 H new ATOM 1474 N TRP A 104 -13.002 -7.563 17.142 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.874 -8.570 17.820 1.00 0.00 C ATOM 1476 C TRP A 104 -14.253 -9.710 16.859 1.00 0.00 C ATOM 1477 O TRP A 104 -14.826 -10.698 17.271 1.00 0.00 O ATOM 1478 CB TRP A 104 -15.151 -7.895 18.351 1.00 0.00 C ATOM 1479 CG TRP A 104 -16.050 -7.483 17.222 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.886 -8.303 16.538 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -16.238 -6.153 16.655 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.557 -7.565 15.583 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -17.191 -6.236 15.612 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.671 -4.897 16.935 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.570 -5.114 14.877 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -16.051 -3.765 16.197 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.999 -3.874 15.170 1.00 0.00 C ATOM 0 H TRP A 104 -13.353 -6.605 17.140 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.314 -8.992 18.654 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.682 -8.581 19.012 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.885 -7.021 18.946 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.007 -9.362 16.712 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.241 -7.956 14.935 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.938 -4.803 17.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.300 -5.203 14.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.611 -2.805 16.422 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.287 -2.999 14.606 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.982 -9.577 15.585 1.00 0.00 N ATOM 1499 CA LEU A 105 -14.369 -10.622 14.627 1.00 0.00 C ATOM 1500 C LEU A 105 -13.218 -10.904 13.655 1.00 0.00 C ATOM 1501 O LEU A 105 -13.410 -11.533 12.634 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.521 -10.036 13.869 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.775 -10.912 13.911 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.725 -11.941 12.780 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.899 -11.631 15.257 1.00 0.00 C ATOM 0 H LEU A 105 -13.503 -8.775 15.176 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.619 -11.559 15.125 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.757 -9.054 14.280 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.226 -9.884 12.831 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.646 -10.269 13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.620 -12.563 12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.677 -11.425 11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.842 -12.569 12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.799 -12.246 15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.026 -12.264 15.413 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.961 -10.895 16.058 1.00 0.00 H new ATOM 1517 N ASN A 106 -12.030 -10.450 13.972 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.861 -10.684 13.082 1.00 0.00 C ATOM 1519 C ASN A 106 -11.295 -10.678 11.618 1.00 0.00 C ATOM 1520 O ASN A 106 -11.059 -11.612 10.879 1.00 0.00 O ATOM 1521 CB ASN A 106 -10.243 -12.018 13.454 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.803 -12.083 12.940 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -8.209 -11.068 12.636 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -8.216 -13.243 12.830 1.00 0.00 N ATOM 0 H ASN A 106 -11.823 -9.922 14.820 1.00 0.00 H new ATOM 0 HA ASN A 106 -10.127 -9.888 13.210 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.259 -12.147 14.536 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.828 -12.832 13.027 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.257 -13.299 12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.717 -14.094 13.086 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.934 -9.622 11.204 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.398 -9.524 9.794 1.00 0.00 C ATOM 1533 C GLN A 107 -11.752 -8.307 9.132 1.00 0.00 C ATOM 1534 O GLN A 107 -12.211 -7.188 9.272 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.921 -9.373 9.767 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.572 -10.758 9.786 1.00 0.00 C ATOM 1537 CD GLN A 107 -15.196 -11.048 8.419 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -14.547 -10.912 7.401 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -16.437 -11.444 8.354 1.00 0.00 N ATOM 0 H GLN A 107 -12.157 -8.815 11.787 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.114 -10.427 9.253 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.255 -8.791 10.626 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.227 -8.828 8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.828 -11.518 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.335 -10.802 10.563 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.981 -11.558 9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.863 -11.640 7.448 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.689 -8.519 8.410 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.999 -7.391 7.726 1.00 0.00 C ATOM 1550 C ILE A 108 -10.494 -7.339 6.273 1.00 0.00 C ATOM 1551 O ILE A 108 -10.701 -8.360 5.649 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.477 -7.643 7.802 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.793 -6.456 8.495 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.877 -7.866 6.403 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.334 -6.331 8.051 1.00 0.00 C ATOM 0 H ILE A 108 -10.264 -9.435 8.263 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.215 -6.433 8.199 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.305 -8.549 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.328 -5.536 8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.838 -6.586 9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.805 -8.041 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.349 -8.732 5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.052 -6.984 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.871 -5.483 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.796 -7.244 8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.294 -6.177 6.973 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.697 -6.170 5.726 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.187 -6.104 4.320 1.00 0.00 C ATOM 1569 C LYS A 109 -10.726 -4.808 3.647 1.00 0.00 C ATOM 1570 O LYS A 109 -10.669 -3.757 4.259 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.716 -6.157 4.316 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.218 -6.256 2.873 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.740 -6.099 2.850 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.162 -5.401 1.556 1.00 0.00 C ATOM 1575 NZ LYS A 109 -15.896 -4.147 1.884 1.00 0.00 N ATOM 0 H LYS A 109 -10.547 -5.271 6.184 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.779 -6.950 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.063 -7.014 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.123 -5.266 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.753 -5.483 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.934 -7.217 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.218 -7.076 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.069 -5.519 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.285 -5.174 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.796 -6.061 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.183 -3.672 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.741 -4.376 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.277 -3.516 2.432 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.411 -4.884 2.380 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.965 -3.672 1.636 1.00 0.00 C ATOM 1591 C LEU A 110 -11.173 -2.797 1.337 1.00 0.00 C ATOM 1592 O LEU A 110 -12.304 -3.227 1.443 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.300 -4.092 0.330 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.030 -3.269 0.119 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.188 -3.269 1.399 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.221 -3.888 -1.012 1.00 0.00 C ATOM 0 H LEU A 110 -10.444 -5.740 1.827 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.250 -3.113 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.058 -5.154 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.986 -3.943 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.301 -2.243 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.285 -2.680 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.766 -2.834 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.914 -4.293 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.312 -3.307 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.956 -4.913 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.815 -3.888 -1.926 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.950 -1.568 0.975 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.106 -0.679 0.685 1.00 0.00 C ATOM 1610 C LEU A 111 -11.696 0.406 -0.299 1.00 0.00 C ATOM 1611 O LEU A 111 -11.876 0.285 -1.494 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.583 -0.027 1.984 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.815 -0.770 2.505 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.499 -1.386 3.870 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.980 0.211 2.647 1.00 0.00 C ATOM 0 H LEU A 111 -10.029 -1.143 0.868 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.911 -1.272 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.788 -0.052 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.824 1.022 1.810 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.087 -1.559 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.376 -1.916 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.668 -2.085 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.227 -0.597 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.858 -0.318 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.708 1.000 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.205 0.651 1.676 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.161 1.473 0.202 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.747 2.588 -0.701 1.00 0.00 C ATOM 1629 C GLU A 112 -9.275 2.443 -1.093 1.00 0.00 C ATOM 1630 O GLU A 112 -8.449 3.275 -0.774 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.971 3.940 -0.017 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.223 3.871 0.861 1.00 0.00 C ATOM 1633 CD GLU A 112 -13.128 5.066 0.553 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.941 4.951 -0.349 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -12.992 6.075 1.226 1.00 0.00 O ATOM 0 H GLU A 112 -10.989 1.629 1.195 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.358 2.541 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.103 4.200 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.083 4.724 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.758 2.939 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.942 3.876 1.914 1.00 0.00 H new ATOM 1642 N SER A 113 -8.955 1.405 -1.814 1.00 0.00 N ATOM 1643 CA SER A 113 -7.549 1.203 -2.273 1.00 0.00 C ATOM 1644 C SER A 113 -7.453 1.712 -3.707 1.00 0.00 C ATOM 1645 O SER A 113 -7.720 0.992 -4.650 1.00 0.00 O ATOM 1646 CB SER A 113 -7.203 -0.287 -2.231 1.00 0.00 C ATOM 1647 OG SER A 113 -8.273 -1.038 -2.787 1.00 0.00 O ATOM 0 H SER A 113 -9.611 0.681 -2.108 1.00 0.00 H new ATOM 0 HA SER A 113 -6.854 1.740 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.285 -0.474 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.021 -0.600 -1.203 1.00 0.00 H new ATOM 0 HG SER A 113 -7.947 -1.554 -3.553 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.095 2.953 -3.888 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.011 3.497 -5.273 1.00 0.00 C ATOM 1655 C LYS A 114 -6.145 4.753 -5.282 1.00 0.00 C ATOM 1656 O LYS A 114 -5.889 5.349 -4.258 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.416 3.847 -5.768 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.593 3.338 -7.200 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.909 2.564 -7.308 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.915 3.378 -8.123 1.00 0.00 C ATOM 1661 NZ LYS A 114 -11.972 2.471 -8.654 1.00 0.00 N ATOM 0 H LYS A 114 -6.859 3.610 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.567 2.747 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.165 3.398 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.568 4.926 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.593 4.176 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.757 2.695 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.737 1.598 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.308 2.364 -6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.364 4.151 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.409 3.885 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.657 3.023 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.536 1.749 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.461 2.007 -7.862 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.684 5.152 -6.433 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.821 6.362 -6.510 1.00 0.00 C ATOM 1677 C CYS A 115 -5.553 7.471 -7.267 1.00 0.00 C ATOM 1678 O CYS A 115 -6.363 7.212 -8.135 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.519 6.014 -7.243 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.103 4.270 -6.969 1.00 0.00 S ATOM 0 H CYS A 115 -5.868 4.692 -7.325 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.591 6.707 -5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.629 6.207 -8.310 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.709 6.650 -6.886 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.274 8.706 -6.946 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.953 9.835 -7.645 1.00 0.00 C ATOM 1687 C GLN A 116 -7.441 9.519 -7.803 1.00 0.00 C ATOM 1688 CB GLN A 116 -5.324 10.032 -9.025 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.893 11.299 -9.668 1.00 0.00 C ATOM 1690 CD GLN A 116 -4.884 12.440 -9.527 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -5.158 13.432 -8.880 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -3.721 12.343 -10.109 1.00 0.00 N ATOM 0 H GLN A 116 -4.604 8.982 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 116 -5.837 10.747 -7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -4.241 10.112 -8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.528 9.167 -9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.110 11.119 -10.721 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.834 11.571 -9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -3.490 11.511 -10.652 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -3.042 13.099 -10.021 1.00 0.00 H new TER 1701 GLN A 116