USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 849 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 57 HIS : no HD1:sc= -2.17 X(o=-2.5,f=-3!) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.332 K(o=-2.5,f=-1.9) USER MOD Single : A 4 THR OG1 : rot 150:sc= -1.16 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 43:sc= 0.867 USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 0.673 (180deg=0.251) USER MOD Single : A 13 THR OG1 : rot 120:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -3.59! C(o=-3.6!,f=-8!) USER MOD Single : A 16 HIS : no HD1:sc= -0.0258 K(o=-0.026,f=-0.57) USER MOD Single : A 31 GLN : amide:sc= -0.0088 X(o=-0.0088,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= -0.0188 (180deg=-0.0601) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -178:sc= -2.04! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00341 K(o=-0.0034,f=-1.4!) USER MOD Single : A 89 SER OG : rot 180:sc= -2.28! USER MOD Single : A 95 LYS NZ :NH3+ -117:sc= 0.189 (180deg=-0.531) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-0.34) USER MOD Single : A 106 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.13) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.879 X(o=-0.88,f=-0.44) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 9.325 21.237 3.936 1.00 0.00 N ATOM 47 CA THR A 4 9.448 19.989 4.686 1.00 0.00 C ATOM 48 C THR A 4 8.893 18.815 3.882 1.00 0.00 C ATOM 49 O THR A 4 8.099 19.004 2.957 1.00 0.00 O ATOM 50 CB THR A 4 8.718 20.098 6.030 1.00 0.00 C ATOM 51 OG1 THR A 4 8.621 18.833 6.662 1.00 0.00 O ATOM 52 CG2 THR A 4 7.314 20.657 5.910 1.00 0.00 C ATOM 0 HA THR A 4 10.507 19.810 4.873 1.00 0.00 H new ATOM 0 HB THR A 4 9.320 20.788 6.622 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.616 18.953 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.856 20.706 6.898 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.356 21.657 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.718 20.010 5.266 1.00 0.00 H new ATOM 60 N VAL A 5 9.312 17.601 4.240 1.00 0.00 N ATOM 61 CA VAL A 5 8.855 16.400 3.554 1.00 0.00 C ATOM 62 C VAL A 5 8.377 15.345 4.548 1.00 0.00 C ATOM 63 O VAL A 5 9.147 14.872 5.388 1.00 0.00 O ATOM 64 CB VAL A 5 9.969 15.795 2.674 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.427 14.651 1.827 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.603 16.867 1.795 1.00 0.00 C ATOM 0 H VAL A 5 9.967 17.427 5.002 1.00 0.00 H new ATOM 0 HA VAL A 5 8.022 16.698 2.918 1.00 0.00 H new ATOM 0 HB VAL A 5 10.741 15.393 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.230 14.240 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.032 13.872 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.631 15.022 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.386 16.419 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.842 17.304 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.035 17.645 2.424 1.00 0.00 H new ATOM 76 N LYS A 6 7.101 14.980 4.437 1.00 0.00 N ATOM 77 CA LYS A 6 6.499 13.976 5.309 1.00 0.00 C ATOM 78 C LYS A 6 5.665 12.997 4.487 1.00 0.00 C ATOM 79 O LYS A 6 4.672 13.386 3.865 1.00 0.00 O ATOM 80 CB LYS A 6 5.623 14.642 6.375 1.00 0.00 C ATOM 81 CG LYS A 6 6.341 15.707 7.190 1.00 0.00 C ATOM 82 CD LYS A 6 5.393 16.820 7.604 1.00 0.00 C ATOM 83 CE LYS A 6 6.091 17.853 8.474 1.00 0.00 C ATOM 84 NZ LYS A 6 5.167 18.444 9.482 1.00 0.00 N ATOM 0 H LYS A 6 6.460 15.369 3.745 1.00 0.00 H new ATOM 0 HA LYS A 6 7.300 13.430 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.758 15.093 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.245 13.875 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.781 15.253 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.161 16.124 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.989 17.305 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.548 16.396 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.935 17.388 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.496 18.645 7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.680 19.143 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.374 18.910 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.800 17.692 10.100 1.00 0.00 H new ATOM 98 N ARG A 7 6.077 11.732 4.476 1.00 0.00 N ATOM 99 CA ARG A 7 5.373 10.698 3.722 1.00 0.00 C ATOM 100 C ARG A 7 5.254 9.410 4.535 1.00 0.00 C ATOM 101 O ARG A 7 5.925 9.244 5.553 1.00 0.00 O ATOM 102 CB ARG A 7 6.099 10.423 2.401 1.00 0.00 C ATOM 103 CG ARG A 7 5.546 11.214 1.227 1.00 0.00 C ATOM 104 CD ARG A 7 6.578 11.374 0.120 1.00 0.00 C ATOM 105 NE ARG A 7 5.991 11.931 -1.097 1.00 0.00 N ATOM 106 CZ ARG A 7 6.702 12.446 -2.103 1.00 0.00 C ATOM 107 NH1 ARG A 7 8.032 12.468 -2.050 1.00 0.00 N ATOM 108 NH2 ARG A 7 6.082 12.940 -3.167 1.00 0.00 N ATOM 0 H ARG A 7 6.897 11.397 4.982 1.00 0.00 H new ATOM 0 HA ARG A 7 4.367 11.059 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.156 10.659 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.033 9.359 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.664 10.710 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.225 12.197 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.382 12.024 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.024 10.405 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 7 4.975 11.926 -1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.516 12.089 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.567 12.863 -2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.063 12.926 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.624 13.334 -3.936 1.00 0.00 H new ATOM 122 N THR A 8 4.391 8.503 4.077 1.00 0.00 N ATOM 123 CA THR A 8 4.176 7.224 4.760 1.00 0.00 C ATOM 124 C THR A 8 3.174 6.362 3.997 1.00 0.00 C ATOM 125 O THR A 8 2.092 6.830 3.634 1.00 0.00 O ATOM 126 CB THR A 8 3.682 7.453 6.196 1.00 0.00 C ATOM 127 OG1 THR A 8 3.159 6.256 6.749 1.00 0.00 O ATOM 128 CG2 THR A 8 2.608 8.518 6.304 1.00 0.00 C ATOM 0 H THR A 8 3.828 8.629 3.236 1.00 0.00 H new ATOM 0 HA THR A 8 5.131 6.699 4.795 1.00 0.00 H new ATOM 0 HB THR A 8 4.560 7.791 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.749 5.507 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.307 8.626 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.999 9.468 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.745 8.227 5.705 1.00 0.00 H new ATOM 136 N ILE A 9 3.531 5.097 3.770 1.00 0.00 N ATOM 137 CA ILE A 9 2.651 4.174 3.066 1.00 0.00 C ATOM 138 C ILE A 9 1.997 3.202 4.045 1.00 0.00 C ATOM 139 O ILE A 9 2.675 2.425 4.720 1.00 0.00 O ATOM 140 CB ILE A 9 3.394 3.385 1.961 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.398 2.542 1.156 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.491 2.505 2.552 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.902 2.142 -0.214 1.00 0.00 C ATOM 0 H ILE A 9 4.420 4.693 4.064 1.00 0.00 H new ATOM 0 HA ILE A 9 1.881 4.776 2.584 1.00 0.00 H new ATOM 0 HB ILE A 9 3.871 4.101 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.158 1.642 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.471 3.103 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.994 1.964 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.214 3.129 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.050 1.793 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.142 1.548 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.115 3.037 -0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.813 1.553 -0.109 1.00 0.00 H new ATOM 155 N ARG A 10 0.672 3.257 4.117 1.00 0.00 N ATOM 156 CA ARG A 10 -0.088 2.393 5.009 1.00 0.00 C ATOM 157 C ARG A 10 -0.971 1.437 4.210 1.00 0.00 C ATOM 158 O ARG A 10 -1.976 1.847 3.628 1.00 0.00 O ATOM 159 CB ARG A 10 -0.947 3.243 5.952 1.00 0.00 C ATOM 160 CG ARG A 10 -1.753 2.430 6.954 1.00 0.00 C ATOM 161 CD ARG A 10 -2.580 3.328 7.862 1.00 0.00 C ATOM 162 NE ARG A 10 -1.978 3.477 9.187 1.00 0.00 N ATOM 163 CZ ARG A 10 -2.499 4.222 10.164 1.00 0.00 C ATOM 164 NH1 ARG A 10 -3.628 4.898 9.967 1.00 0.00 N ATOM 165 NH2 ARG A 10 -1.889 4.295 11.340 1.00 0.00 N ATOM 0 H ARG A 10 0.100 3.895 3.564 1.00 0.00 H new ATOM 0 HA ARG A 10 0.611 1.801 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.300 3.932 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.630 3.849 5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.411 1.743 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.079 1.822 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.686 4.310 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.583 2.914 7.965 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.107 2.981 9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.101 4.849 9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.020 5.465 10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.022 3.782 11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.287 4.864 12.087 1.00 0.00 H new ATOM 179 N ILE A 11 -0.586 0.161 4.187 1.00 0.00 N ATOM 180 CA ILE A 11 -1.344 -0.853 3.459 1.00 0.00 C ATOM 181 C ILE A 11 -1.941 -1.880 4.419 1.00 0.00 C ATOM 182 O ILE A 11 -1.251 -2.393 5.302 1.00 0.00 O ATOM 183 CB ILE A 11 -0.475 -1.571 2.400 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.772 -2.186 3.043 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.082 -0.604 1.290 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.547 -3.100 2.116 1.00 0.00 C ATOM 0 H ILE A 11 0.244 -0.193 4.663 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.152 -0.335 2.941 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.065 -2.378 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.429 -1.384 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.474 -2.748 3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.529 -1.125 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.981 -0.218 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.487 0.224 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.416 -3.498 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.907 -3.923 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.876 -2.538 1.242 1.00 0.00 H new ATOM 198 N LYS A 12 -3.233 -2.169 4.246 1.00 0.00 N ATOM 199 CA LYS A 12 -3.933 -3.126 5.102 1.00 0.00 C ATOM 200 C LYS A 12 -4.575 -4.238 4.274 1.00 0.00 C ATOM 201 O LYS A 12 -5.196 -3.973 3.243 1.00 0.00 O ATOM 202 CB LYS A 12 -5.004 -2.409 5.927 1.00 0.00 C ATOM 203 CG LYS A 12 -4.500 -1.884 7.262 1.00 0.00 C ATOM 204 CD LYS A 12 -3.708 -0.593 7.095 1.00 0.00 C ATOM 205 CE LYS A 12 -2.426 -0.618 7.912 1.00 0.00 C ATOM 206 NZ LYS A 12 -2.598 0.018 9.251 1.00 0.00 N ATOM 0 H LYS A 12 -3.815 -1.753 3.519 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.202 -3.577 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.400 -1.576 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.832 -3.095 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.346 -1.709 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.872 -2.638 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.467 -0.446 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.321 0.254 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.100 -1.650 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.638 -0.101 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.798 -0.240 9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.632 1.052 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.484 -0.314 9.682 1.00 0.00 H new ATOM 220 N THR A 13 -4.421 -5.481 4.732 1.00 0.00 N ATOM 221 CA THR A 13 -4.990 -6.634 4.032 1.00 0.00 C ATOM 222 C THR A 13 -5.661 -7.592 5.018 1.00 0.00 C ATOM 223 O THR A 13 -4.985 -8.312 5.755 1.00 0.00 O ATOM 224 CB THR A 13 -3.906 -7.373 3.236 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.895 -6.479 2.793 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.448 -8.089 2.019 1.00 0.00 C ATOM 0 H THR A 13 -3.909 -5.715 5.582 1.00 0.00 H new ATOM 0 HA THR A 13 -5.745 -6.266 3.337 1.00 0.00 H new ATOM 0 HB THR A 13 -3.498 -8.110 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.031 -6.751 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.632 -8.592 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.189 -8.826 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.914 -7.366 1.349 1.00 0.00 H new ATOM 234 N GLN A 14 -6.994 -7.592 5.028 1.00 0.00 N ATOM 235 CA GLN A 14 -7.760 -8.460 5.924 1.00 0.00 C ATOM 236 C GLN A 14 -8.650 -9.419 5.136 1.00 0.00 C ATOM 237 O GLN A 14 -9.137 -9.082 4.056 1.00 0.00 O ATOM 238 CB GLN A 14 -8.611 -7.620 6.876 1.00 0.00 C ATOM 239 CG GLN A 14 -7.809 -6.947 7.978 1.00 0.00 C ATOM 240 CD GLN A 14 -8.639 -5.976 8.797 1.00 0.00 C ATOM 241 OE1 GLN A 14 -8.539 -4.762 8.626 1.00 0.00 O ATOM 242 NE2 GLN A 14 -9.463 -6.509 9.692 1.00 0.00 N ATOM 0 H GLN A 14 -7.566 -7.001 4.426 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.052 -9.051 6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.136 -6.856 6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.371 -8.257 7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.394 -7.710 8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.967 -6.415 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.513 -7.522 9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.046 -5.905 10.272 1.00 0.00 H new ATOM 251 N GLN A 15 -8.858 -10.618 5.685 1.00 0.00 N ATOM 252 CA GLN A 15 -9.691 -11.635 5.036 1.00 0.00 C ATOM 253 C GLN A 15 -10.488 -12.431 6.066 1.00 0.00 C ATOM 254 O GLN A 15 -10.020 -12.653 7.182 1.00 0.00 O ATOM 255 CB GLN A 15 -8.813 -12.590 4.219 1.00 0.00 C ATOM 256 CG GLN A 15 -9.579 -13.745 3.587 1.00 0.00 C ATOM 257 CD GLN A 15 -9.334 -13.888 2.092 1.00 0.00 C ATOM 258 OE1 GLN A 15 -9.299 -15.000 1.566 1.00 0.00 O ATOM 259 NE2 GLN A 15 -9.169 -12.767 1.395 1.00 0.00 N ATOM 0 H GLN A 15 -8.461 -10.909 6.578 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.391 -11.125 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.313 -12.025 3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.034 -12.994 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.297 -14.673 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.646 -13.602 3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.205 -11.863 1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.007 -12.811 0.389 1.00 0.00 H new ATOM 268 N HIS A 16 -11.696 -12.862 5.696 1.00 0.00 N ATOM 269 CA HIS A 16 -12.532 -13.636 6.614 1.00 0.00 C ATOM 270 C HIS A 16 -13.548 -14.497 5.863 1.00 0.00 C ATOM 271 O HIS A 16 -14.385 -13.973 5.126 1.00 0.00 O ATOM 272 CB HIS A 16 -13.254 -12.691 7.579 1.00 0.00 C ATOM 273 CG HIS A 16 -13.955 -13.383 8.710 1.00 0.00 C ATOM 274 ND1 HIS A 16 -13.648 -14.664 9.128 1.00 0.00 N ATOM 275 CD2 HIS A 16 -14.954 -12.957 9.516 1.00 0.00 C ATOM 276 CE1 HIS A 16 -14.431 -14.991 10.139 1.00 0.00 C ATOM 277 NE2 HIS A 16 -15.233 -13.975 10.394 1.00 0.00 N ATOM 0 H HIS A 16 -12.112 -12.691 4.781 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.882 -14.307 7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.530 -11.988 7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.983 -12.106 7.019 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.442 -11.994 9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.417 -15.932 10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.944 -13.950 11.124 1.00 0.00 H new ATOM 286 N ILE A 17 -13.480 -15.819 6.060 1.00 0.00 N ATOM 287 CA ILE A 17 -14.412 -16.737 5.399 1.00 0.00 C ATOM 288 C ILE A 17 -15.780 -16.715 6.081 1.00 0.00 C ATOM 289 O ILE A 17 -15.870 -16.652 7.307 1.00 0.00 O ATOM 290 CB ILE A 17 -13.899 -18.195 5.387 1.00 0.00 C ATOM 291 CG1 ILE A 17 -12.442 -18.261 4.923 1.00 0.00 C ATOM 292 CG2 ILE A 17 -14.777 -19.057 4.490 1.00 0.00 C ATOM 293 CD1 ILE A 17 -11.799 -19.616 5.138 1.00 0.00 C ATOM 0 H ILE A 17 -12.796 -16.273 6.666 1.00 0.00 H new ATOM 0 HA ILE A 17 -14.496 -16.387 4.370 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.949 -18.580 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.395 -18.010 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.865 -17.505 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -14.404 -20.081 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.801 -19.044 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.755 -18.664 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.768 -19.589 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.814 -19.861 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.352 -20.373 4.583 1.00 0.00 H new ATOM 476 N VAL A 29 -16.357 -19.493 -0.510 1.00 0.00 N ATOM 477 CA VAL A 29 -16.422 -18.032 -0.554 1.00 0.00 C ATOM 478 C VAL A 29 -15.767 -17.413 0.681 1.00 0.00 C ATOM 479 O VAL A 29 -15.984 -17.873 1.802 1.00 0.00 O ATOM 480 CB VAL A 29 -17.882 -17.536 -0.647 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.928 -16.037 -0.913 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.645 -18.298 -1.724 1.00 0.00 C ATOM 0 HA VAL A 29 -15.880 -17.719 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.365 -17.726 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.966 -15.710 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.428 -15.508 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.422 -15.819 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.671 -17.932 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.161 -18.147 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -18.650 -19.361 -1.483 1.00 0.00 H new ATOM 492 N ARG A 30 -14.970 -16.364 0.467 1.00 0.00 N ATOM 493 CA ARG A 30 -14.289 -15.676 1.565 1.00 0.00 C ATOM 494 C ARG A 30 -14.313 -14.159 1.362 1.00 0.00 C ATOM 495 O ARG A 30 -14.480 -13.675 0.242 1.00 0.00 O ATOM 496 CB ARG A 30 -12.838 -16.168 1.706 1.00 0.00 C ATOM 497 CG ARG A 30 -12.154 -16.491 0.386 1.00 0.00 C ATOM 498 CD ARG A 30 -11.857 -17.978 0.257 1.00 0.00 C ATOM 499 NE ARG A 30 -11.158 -18.294 -0.988 1.00 0.00 N ATOM 500 CZ ARG A 30 -10.889 -19.534 -1.401 1.00 0.00 C ATOM 501 NH1 ARG A 30 -11.234 -20.583 -0.661 1.00 0.00 N ATOM 502 NH2 ARG A 30 -10.264 -19.724 -2.559 1.00 0.00 N ATOM 0 H ARG A 30 -14.781 -15.973 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.826 -15.910 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.257 -15.406 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.828 -17.059 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.789 -16.173 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.225 -15.926 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.252 -18.301 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.791 -18.539 0.300 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.857 -17.518 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.709 -20.444 0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.024 -21.527 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.992 -18.923 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.057 -20.671 -2.877 1.00 0.00 H new ATOM 516 N GLN A 31 -14.144 -13.413 2.454 1.00 0.00 N ATOM 517 CA GLN A 31 -14.147 -11.952 2.390 1.00 0.00 C ATOM 518 C GLN A 31 -12.722 -11.408 2.316 1.00 0.00 C ATOM 519 O GLN A 31 -11.767 -12.106 2.654 1.00 0.00 O ATOM 520 CB GLN A 31 -14.874 -11.362 3.601 1.00 0.00 C ATOM 521 CG GLN A 31 -15.887 -10.289 3.234 1.00 0.00 C ATOM 522 CD GLN A 31 -15.702 -9.007 4.026 1.00 0.00 C ATOM 523 OE1 GLN A 31 -15.517 -7.933 3.454 1.00 0.00 O ATOM 524 NE2 GLN A 31 -15.753 -9.110 5.349 1.00 0.00 N ATOM 0 H GLN A 31 -14.004 -13.795 3.390 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.677 -11.656 1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.383 -12.164 4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.139 -10.938 4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.805 -10.068 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.893 -10.673 3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.908 -10.019 5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.637 -8.280 5.930 1.00 0.00 H new ATOM 533 N TRP A 32 -12.586 -10.162 1.866 1.00 0.00 N ATOM 534 CA TRP A 32 -11.270 -9.532 1.742 1.00 0.00 C ATOM 535 C TRP A 32 -11.371 -8.005 1.728 1.00 0.00 C ATOM 536 O TRP A 32 -12.350 -7.438 1.242 1.00 0.00 O ATOM 537 CB TRP A 32 -10.561 -10.027 0.475 1.00 0.00 C ATOM 538 CG TRP A 32 -11.239 -9.623 -0.801 1.00 0.00 C ATOM 539 CD1 TRP A 32 -12.364 -10.176 -1.342 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.830 -8.585 -1.699 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.682 -9.544 -2.518 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.754 -8.564 -2.760 1.00 0.00 C ATOM 543 CE3 TRP A 32 -9.773 -7.671 -1.708 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -11.653 -7.663 -3.818 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -9.674 -6.779 -2.760 1.00 0.00 C ATOM 546 CH2 TRP A 32 -10.608 -6.781 -3.802 1.00 0.00 C ATOM 0 H TRP A 32 -13.366 -9.570 1.582 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.685 -9.817 2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.540 -9.644 0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.493 -11.114 0.510 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.922 -10.992 -0.908 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.479 -9.767 -3.115 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.047 -7.661 -0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.374 -7.661 -4.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.861 -6.068 -2.778 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.501 -6.072 -4.610 1.00 0.00 H new ATOM 557 N SER A 33 -10.341 -7.350 2.264 1.00 0.00 N ATOM 558 CA SER A 33 -10.290 -5.892 2.320 1.00 0.00 C ATOM 559 C SER A 33 -8.861 -5.396 2.100 1.00 0.00 C ATOM 560 O SER A 33 -7.940 -5.802 2.813 1.00 0.00 O ATOM 561 CB SER A 33 -10.816 -5.395 3.671 1.00 0.00 C ATOM 562 OG SER A 33 -10.473 -4.036 3.893 1.00 0.00 O ATOM 0 H SER A 33 -9.526 -7.812 2.668 1.00 0.00 H new ATOM 0 HA SER A 33 -10.922 -5.495 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.900 -5.508 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.406 -6.011 4.471 1.00 0.00 H new ATOM 0 HG SER A 33 -10.824 -3.748 4.762 1.00 0.00 H new ATOM 568 N ILE A 34 -8.680 -4.521 1.107 1.00 0.00 N ATOM 569 CA ILE A 34 -7.358 -3.978 0.795 1.00 0.00 C ATOM 570 C ILE A 34 -7.384 -2.452 0.681 1.00 0.00 C ATOM 571 O ILE A 34 -8.331 -1.874 0.142 1.00 0.00 O ATOM 572 CB ILE A 34 -6.798 -4.576 -0.516 1.00 0.00 C ATOM 573 CG1 ILE A 34 -5.364 -4.092 -0.760 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.693 -4.214 -1.695 1.00 0.00 C ATOM 575 CD1 ILE A 34 -4.368 -4.594 0.264 1.00 0.00 C ATOM 0 H ILE A 34 -9.430 -4.175 0.508 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.706 -4.257 1.623 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.782 -5.661 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.045 -4.414 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.353 -3.002 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.283 -4.644 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.695 -4.609 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.743 -3.130 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.376 -4.210 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.661 -4.250 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.349 -5.684 0.249 1.00 0.00 H new ATOM 587 N GLU A 35 -6.329 -1.809 1.178 1.00 0.00 N ATOM 588 CA GLU A 35 -6.215 -0.352 1.124 1.00 0.00 C ATOM 589 C GLU A 35 -4.751 0.075 1.030 1.00 0.00 C ATOM 590 O GLU A 35 -3.874 -0.550 1.630 1.00 0.00 O ATOM 591 CB GLU A 35 -6.869 0.286 2.354 1.00 0.00 C ATOM 592 CG GLU A 35 -6.208 -0.081 3.675 1.00 0.00 C ATOM 593 CD GLU A 35 -6.121 1.093 4.631 1.00 0.00 C ATOM 594 OE1 GLU A 35 -7.139 1.404 5.285 1.00 0.00 O ATOM 595 OE2 GLU A 35 -5.034 1.703 4.725 1.00 0.00 O ATOM 0 H GLU A 35 -5.539 -2.275 1.624 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.736 -0.007 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.850 1.370 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.917 -0.012 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.770 -0.887 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.205 -0.462 3.482 1.00 0.00 H new ATOM 602 N ILE A 36 -4.496 1.141 0.274 1.00 0.00 N ATOM 603 CA ILE A 36 -3.142 1.660 0.094 1.00 0.00 C ATOM 604 C ILE A 36 -3.134 3.186 0.198 1.00 0.00 C ATOM 605 O ILE A 36 -3.586 3.876 -0.716 1.00 0.00 O ATOM 606 CB ILE A 36 -2.555 1.242 -1.276 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.644 -0.276 -1.460 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.111 1.710 -1.410 1.00 0.00 C ATOM 609 CD1 ILE A 36 -3.854 -0.722 -2.255 1.00 0.00 C ATOM 0 H ILE A 36 -5.214 1.665 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.524 1.235 0.885 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.145 1.720 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.742 -0.626 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.669 -0.751 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.718 1.405 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.071 2.796 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.509 1.264 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.850 -1.808 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.763 -0.403 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.821 -0.276 -3.249 1.00 0.00 H new ATOM 621 N VAL A 37 -2.620 3.707 1.312 1.00 0.00 N ATOM 622 CA VAL A 37 -2.560 5.153 1.522 1.00 0.00 C ATOM 623 C VAL A 37 -1.116 5.649 1.554 1.00 0.00 C ATOM 624 O VAL A 37 -0.256 5.040 2.189 1.00 0.00 O ATOM 625 CB VAL A 37 -3.267 5.567 2.831 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.364 7.085 2.933 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.650 4.932 2.918 1.00 0.00 C ATOM 0 H VAL A 37 -2.241 3.152 2.079 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.078 5.613 0.680 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.672 5.206 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.865 7.356 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.363 7.515 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.934 7.471 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.132 5.236 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.254 5.259 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.554 3.846 2.897 1.00 0.00 H new ATOM 637 N LEU A 38 -0.859 6.762 0.859 1.00 0.00 N ATOM 638 CA LEU A 38 0.481 7.345 0.801 1.00 0.00 C ATOM 639 C LEU A 38 0.414 8.842 0.491 1.00 0.00 C ATOM 640 O LEU A 38 -0.331 9.268 -0.393 1.00 0.00 O ATOM 641 CB LEU A 38 1.321 6.626 -0.260 1.00 0.00 C ATOM 642 CG LEU A 38 2.807 6.471 0.075 1.00 0.00 C ATOM 643 CD1 LEU A 38 3.463 5.478 -0.870 1.00 0.00 C ATOM 644 CD2 LEU A 38 3.516 7.815 0.010 1.00 0.00 C ATOM 0 H LEU A 38 -1.563 7.276 0.329 1.00 0.00 H new ATOM 0 HA LEU A 38 0.951 7.219 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.898 5.635 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.232 7.171 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 38 2.891 6.089 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.519 5.379 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.975 4.508 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.366 5.833 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.571 7.682 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.423 8.227 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.063 8.500 0.727 1.00 0.00 H new ATOM 656 N LEU A 39 1.201 9.637 1.224 1.00 0.00 N ATOM 657 CA LEU A 39 1.233 11.090 1.027 1.00 0.00 C ATOM 658 C LEU A 39 1.913 11.456 -0.293 1.00 0.00 C ATOM 659 O LEU A 39 2.602 10.632 -0.897 1.00 0.00 O ATOM 660 CB LEU A 39 1.963 11.768 2.192 1.00 0.00 C ATOM 661 CG LEU A 39 1.074 12.165 3.373 1.00 0.00 C ATOM 662 CD1 LEU A 39 1.925 12.498 4.590 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.185 13.345 3.000 1.00 0.00 C ATOM 0 H LEU A 39 1.823 9.299 1.958 1.00 0.00 H new ATOM 0 HA LEU A 39 0.203 11.444 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.741 11.096 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.462 12.661 1.817 1.00 0.00 H new ATOM 0 HG LEU A 39 0.433 11.320 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.278 12.778 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.517 11.627 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.590 13.328 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.440 13.613 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.807 14.196 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.449 13.071 2.157 1.00 0.00 H new ATOM 675 N ASP A 40 1.720 12.701 -0.734 1.00 0.00 N ATOM 676 CA ASP A 40 2.316 13.179 -1.979 1.00 0.00 C ATOM 677 C ASP A 40 2.337 14.709 -2.022 1.00 0.00 C ATOM 678 O ASP A 40 3.387 15.313 -2.241 1.00 0.00 O ATOM 679 CB ASP A 40 1.563 12.620 -3.197 1.00 0.00 C ATOM 680 CG ASP A 40 0.054 12.686 -3.050 1.00 0.00 C ATOM 681 OD1 ASP A 40 -0.525 11.768 -2.431 1.00 0.00 O ATOM 682 OD2 ASP A 40 -0.548 13.657 -3.554 1.00 0.00 O ATOM 0 H ASP A 40 1.155 13.395 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 40 3.345 12.820 -2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.859 13.177 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.861 11.584 -3.356 1.00 0.00 H new ATOM 687 N ASP A 41 1.174 15.326 -1.798 1.00 0.00 N ATOM 688 CA ASP A 41 1.057 16.787 -1.797 1.00 0.00 C ATOM 689 C ASP A 41 1.723 17.405 -0.563 1.00 0.00 C ATOM 690 O ASP A 41 1.938 18.617 -0.512 1.00 0.00 O ATOM 691 CB ASP A 41 -0.418 17.204 -1.847 1.00 0.00 C ATOM 692 CG ASP A 41 -1.235 16.612 -0.712 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.079 17.076 0.438 1.00 0.00 O ATOM 694 OD2 ASP A 41 -2.026 15.684 -0.971 1.00 0.00 O ATOM 0 H ASP A 41 0.298 14.836 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 41 1.571 17.157 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.485 18.291 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.847 16.892 -2.799 1.00 0.00 H new ATOM 699 N GLU A 42 2.040 16.571 0.428 1.00 0.00 N ATOM 700 CA GLU A 42 2.670 17.049 1.657 1.00 0.00 C ATOM 701 C GLU A 42 4.162 16.734 1.676 1.00 0.00 C ATOM 702 O GLU A 42 4.960 17.514 2.200 1.00 0.00 O ATOM 703 CB GLU A 42 1.990 16.429 2.880 1.00 0.00 C ATOM 704 CG GLU A 42 1.388 17.460 3.820 1.00 0.00 C ATOM 705 CD GLU A 42 0.668 16.834 4.997 1.00 0.00 C ATOM 706 OE1 GLU A 42 1.298 16.041 5.730 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.527 17.140 5.188 1.00 0.00 O ATOM 0 H GLU A 42 1.871 15.565 0.403 1.00 0.00 H new ATOM 0 HA GLU A 42 2.551 18.132 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.205 15.750 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.718 15.830 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.179 18.113 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.690 18.087 3.265 1.00 0.00 H new ATOM 714 N GLY A 43 4.538 15.593 1.102 1.00 0.00 N ATOM 715 CA GLY A 43 5.936 15.207 1.069 1.00 0.00 C ATOM 716 C GLY A 43 6.635 15.636 -0.208 1.00 0.00 C ATOM 717 O GLY A 43 7.443 14.888 -0.757 1.00 0.00 O ATOM 0 H GLY A 43 3.900 14.931 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.450 15.646 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.012 14.125 1.173 1.00 0.00 H new ATOM 721 N LYS A 44 6.326 16.846 -0.675 1.00 0.00 N ATOM 722 CA LYS A 44 6.926 17.385 -1.890 1.00 0.00 C ATOM 723 C LYS A 44 6.507 16.571 -3.113 1.00 0.00 C ATOM 724 O LYS A 44 7.161 15.590 -3.474 1.00 0.00 O ATOM 725 CB LYS A 44 8.451 17.409 -1.768 1.00 0.00 C ATOM 726 CG LYS A 44 9.021 18.791 -1.500 1.00 0.00 C ATOM 727 CD LYS A 44 10.540 18.764 -1.414 1.00 0.00 C ATOM 728 CE LYS A 44 11.108 20.150 -1.136 1.00 0.00 C ATOM 729 NZ LYS A 44 12.025 20.157 0.041 1.00 0.00 N ATOM 0 H LYS A 44 5.659 17.473 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 44 6.568 18.406 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.753 16.739 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.886 17.018 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.713 19.472 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.610 19.180 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.849 18.078 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.952 18.382 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.646 20.504 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.289 20.848 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.388 21.120 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.507 19.845 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.821 19.511 -0.135 1.00 0.00 H new ATOM 743 N GLU A 45 5.413 16.988 -3.746 1.00 0.00 N ATOM 744 CA GLU A 45 4.899 16.302 -4.931 1.00 0.00 C ATOM 745 C GLU A 45 5.653 16.735 -6.195 1.00 0.00 C ATOM 746 O GLU A 45 5.041 17.136 -7.189 1.00 0.00 O ATOM 747 CB GLU A 45 3.399 16.580 -5.089 1.00 0.00 C ATOM 748 CG GLU A 45 2.632 15.450 -5.760 1.00 0.00 C ATOM 749 CD GLU A 45 1.967 15.872 -7.060 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.307 16.933 -7.075 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.105 15.138 -8.062 1.00 0.00 O ATOM 0 H GLU A 45 4.864 17.798 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 45 5.054 15.231 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.968 16.765 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.267 17.492 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.314 14.624 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.872 15.077 -5.074 1.00 0.00 H new ATOM 758 N ILE A 46 6.985 16.656 -6.150 1.00 0.00 N ATOM 759 CA ILE A 46 7.818 17.042 -7.287 1.00 0.00 C ATOM 760 C ILE A 46 8.920 16.011 -7.537 1.00 0.00 C ATOM 761 O ILE A 46 9.834 15.862 -6.724 1.00 0.00 O ATOM 762 CB ILE A 46 8.472 18.426 -7.066 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.435 19.453 -6.596 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.151 18.902 -8.343 1.00 0.00 C ATOM 765 CD1 ILE A 46 7.430 19.669 -5.097 1.00 0.00 C ATOM 0 H ILE A 46 7.508 16.328 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 46 7.161 17.092 -8.155 1.00 0.00 H new ATOM 0 HB ILE A 46 9.227 18.325 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.629 20.405 -7.091 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.444 19.126 -6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.606 19.877 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.922 18.188 -8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.412 18.982 -9.140 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.672 20.408 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.206 18.728 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.409 20.027 -4.778 1.00 0.00 H new ATOM 777 N PRO A 47 8.852 15.286 -8.673 1.00 0.00 N ATOM 778 CA PRO A 47 9.854 14.269 -9.026 1.00 0.00 C ATOM 779 C PRO A 47 11.221 14.880 -9.340 1.00 0.00 C ATOM 780 O PRO A 47 11.322 16.066 -9.656 1.00 0.00 O ATOM 781 CB PRO A 47 9.268 13.607 -10.277 1.00 0.00 C ATOM 782 CG PRO A 47 8.358 14.631 -10.862 1.00 0.00 C ATOM 783 CD PRO A 47 7.796 15.400 -9.699 1.00 0.00 C ATOM 0 HA PRO A 47 10.033 13.576 -8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.052 13.328 -10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.727 12.695 -10.025 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.898 15.291 -11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.562 14.161 -11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.601 16.440 -9.961 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.853 14.976 -9.354 1.00 0.00 H new ATOM 791 N ALA A 48 12.271 14.059 -9.252 1.00 0.00 N ATOM 792 CA ALA A 48 13.632 14.519 -9.528 1.00 0.00 C ATOM 793 C ALA A 48 14.486 13.415 -10.150 1.00 0.00 C ATOM 794 O ALA A 48 14.949 13.549 -11.284 1.00 0.00 O ATOM 795 CB ALA A 48 14.280 15.040 -8.253 1.00 0.00 C ATOM 0 H ALA A 48 12.204 13.075 -8.992 1.00 0.00 H new ATOM 0 HA ALA A 48 13.569 15.331 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.292 15.379 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.695 15.872 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.317 14.242 -7.511 1.00 0.00 H new ATOM 801 N THR A 49 14.694 12.326 -9.408 1.00 0.00 N ATOM 802 CA THR A 49 15.498 11.206 -9.902 1.00 0.00 C ATOM 803 C THR A 49 14.610 10.014 -10.260 1.00 0.00 C ATOM 804 O THR A 49 14.469 9.670 -11.435 1.00 0.00 O ATOM 805 CB THR A 49 16.557 10.799 -8.867 1.00 0.00 C ATOM 806 OG1 THR A 49 17.405 11.894 -8.561 1.00 0.00 O ATOM 807 CG2 THR A 49 17.443 9.655 -9.323 1.00 0.00 C ATOM 0 H THR A 49 14.320 12.196 -8.468 1.00 0.00 H new ATOM 0 HA THR A 49 16.011 11.532 -10.807 1.00 0.00 H new ATOM 0 HB THR A 49 15.991 10.474 -7.994 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.072 11.616 -7.899 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.167 9.422 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.829 8.777 -9.523 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.971 9.943 -10.232 1.00 0.00 H new ATOM 815 N ILE A 50 14.007 9.388 -9.248 1.00 0.00 N ATOM 816 CA ILE A 50 13.130 8.241 -9.476 1.00 0.00 C ATOM 817 C ILE A 50 11.680 8.577 -9.105 1.00 0.00 C ATOM 818 O ILE A 50 10.869 8.880 -9.983 1.00 0.00 O ATOM 819 CB ILE A 50 13.597 6.993 -8.690 1.00 0.00 C ATOM 820 CG1 ILE A 50 15.045 6.644 -9.044 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.681 5.809 -8.979 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.716 5.741 -8.030 1.00 0.00 C ATOM 0 H ILE A 50 14.109 9.655 -8.269 1.00 0.00 H new ATOM 0 HA ILE A 50 13.181 8.010 -10.540 1.00 0.00 H new ATOM 0 HB ILE A 50 13.548 7.220 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.065 6.159 -10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.620 7.565 -9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.023 4.939 -8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.662 6.056 -8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.702 5.585 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.739 5.536 -8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.728 6.232 -7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.164 4.804 -7.956 1.00 0.00 H new ATOM 834 N PHE A 51 11.363 8.531 -7.806 1.00 0.00 N ATOM 835 CA PHE A 51 10.015 8.839 -7.319 1.00 0.00 C ATOM 836 C PHE A 51 8.957 7.969 -8.004 1.00 0.00 C ATOM 837 O PHE A 51 8.444 8.318 -9.068 1.00 0.00 O ATOM 838 CB PHE A 51 9.707 10.331 -7.529 1.00 0.00 C ATOM 839 CG PHE A 51 8.270 10.711 -7.272 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.739 10.654 -5.990 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.450 11.130 -8.310 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.423 11.006 -5.752 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.133 11.482 -8.076 1.00 0.00 C ATOM 844 CZ PHE A 51 5.620 11.419 -6.797 1.00 0.00 C ATOM 0 H PHE A 51 12.025 8.282 -7.071 1.00 0.00 H new ATOM 0 HA PHE A 51 9.982 8.615 -6.253 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.349 10.918 -6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.965 10.602 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.362 10.331 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.845 11.182 -9.314 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.024 10.958 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.507 11.806 -8.894 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.591 11.692 -6.613 1.00 0.00 H new ATOM 854 N ASP A 52 8.630 6.836 -7.379 1.00 0.00 N ATOM 855 CA ASP A 52 7.627 5.918 -7.921 1.00 0.00 C ATOM 856 C ASP A 52 7.249 4.846 -6.900 1.00 0.00 C ATOM 857 O ASP A 52 8.085 4.036 -6.499 1.00 0.00 O ATOM 858 CB ASP A 52 8.141 5.255 -9.203 1.00 0.00 C ATOM 859 CG ASP A 52 7.016 4.893 -10.153 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.311 5.814 -10.618 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.838 3.689 -10.428 1.00 0.00 O ATOM 0 H ASP A 52 9.045 6.533 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 52 6.736 6.502 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.835 5.929 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.700 4.355 -8.945 1.00 0.00 H new ATOM 866 N LYS A 53 5.982 4.841 -6.487 1.00 0.00 N ATOM 867 CA LYS A 53 5.498 3.860 -5.518 1.00 0.00 C ATOM 868 C LYS A 53 4.458 2.942 -6.158 1.00 0.00 C ATOM 869 O LYS A 53 3.422 3.409 -6.630 1.00 0.00 O ATOM 870 CB LYS A 53 4.889 4.563 -4.299 1.00 0.00 C ATOM 871 CG LYS A 53 5.759 5.673 -3.726 1.00 0.00 C ATOM 872 CD LYS A 53 5.224 7.048 -4.095 1.00 0.00 C ATOM 873 CE LYS A 53 6.181 8.154 -3.674 1.00 0.00 C ATOM 874 NZ LYS A 53 5.592 9.035 -2.624 1.00 0.00 N ATOM 0 H LYS A 53 5.275 5.503 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 53 6.347 3.259 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.922 4.981 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.703 3.823 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.804 5.578 -2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.778 5.566 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.060 7.098 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.256 7.202 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.104 7.711 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.446 8.755 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.249 9.814 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.690 9.425 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.426 8.481 -1.759 1.00 0.00 H new ATOM 888 N VAL A 54 4.736 1.638 -6.175 1.00 0.00 N ATOM 889 CA VAL A 54 3.811 0.671 -6.764 1.00 0.00 C ATOM 890 C VAL A 54 3.288 -0.314 -5.718 1.00 0.00 C ATOM 891 O VAL A 54 3.890 -0.493 -4.657 1.00 0.00 O ATOM 892 CB VAL A 54 4.455 -0.109 -7.932 1.00 0.00 C ATOM 893 CG1 VAL A 54 4.859 0.842 -9.050 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.651 -0.924 -7.457 1.00 0.00 C ATOM 0 H VAL A 54 5.588 1.230 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 54 2.974 1.248 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 54 3.713 -0.805 -8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.311 0.275 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.977 1.366 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.579 1.566 -8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.083 -1.462 -8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.400 -0.257 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.327 -1.638 -6.699 1.00 0.00 H new ATOM 904 N ILE A 55 2.153 -0.940 -6.030 1.00 0.00 N ATOM 905 CA ILE A 55 1.518 -1.899 -5.129 1.00 0.00 C ATOM 906 C ILE A 55 1.018 -3.129 -5.886 1.00 0.00 C ATOM 907 O ILE A 55 0.322 -3.011 -6.897 1.00 0.00 O ATOM 908 CB ILE A 55 0.326 -1.260 -4.385 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.742 0.065 -3.741 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.235 -2.217 -3.340 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.538 1.265 -4.643 1.00 0.00 C ATOM 0 H ILE A 55 1.652 -0.798 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 55 2.278 -2.203 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.460 -1.055 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.172 0.209 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.793 0.008 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.074 -1.746 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.575 -3.130 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.542 -2.460 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.854 2.169 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.130 1.143 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.517 1.347 -4.906 1.00 0.00 H new ATOM 923 N TYR A 56 1.368 -4.308 -5.378 1.00 0.00 N ATOM 924 CA TYR A 56 0.951 -5.567 -5.988 1.00 0.00 C ATOM 925 C TYR A 56 0.265 -6.465 -4.966 1.00 0.00 C ATOM 926 O TYR A 56 0.655 -6.500 -3.797 1.00 0.00 O ATOM 927 CB TYR A 56 2.153 -6.288 -6.599 1.00 0.00 C ATOM 928 CG TYR A 56 2.357 -5.966 -8.059 1.00 0.00 C ATOM 929 CD1 TYR A 56 2.825 -4.719 -8.454 1.00 0.00 C ATOM 930 CD2 TYR A 56 2.071 -6.903 -9.045 1.00 0.00 C ATOM 931 CE1 TYR A 56 3.002 -4.416 -9.789 1.00 0.00 C ATOM 932 CE2 TYR A 56 2.244 -6.606 -10.382 1.00 0.00 C ATOM 933 CZ TYR A 56 2.711 -5.361 -10.749 1.00 0.00 C ATOM 934 OH TYR A 56 2.885 -5.061 -12.080 1.00 0.00 O ATOM 0 H TYR A 56 1.942 -4.417 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 56 0.237 -5.339 -6.779 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.052 -6.018 -6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.020 -7.364 -6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.054 -3.975 -7.705 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.707 -7.879 -8.760 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.367 -3.442 -10.080 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.015 -7.344 -11.136 1.00 0.00 H new ATOM 0 HH TYR A 56 2.635 -5.836 -12.625 1.00 0.00 H new ATOM 944 N HIS A 57 -0.762 -7.187 -5.412 1.00 0.00 N ATOM 945 CA HIS A 57 -1.510 -8.083 -4.538 1.00 0.00 C ATOM 946 C HIS A 57 -2.416 -9.013 -5.346 1.00 0.00 C ATOM 947 O HIS A 57 -3.215 -8.556 -6.160 1.00 0.00 O ATOM 948 CB HIS A 57 -2.335 -7.271 -3.527 1.00 0.00 C ATOM 949 CG HIS A 57 -3.504 -6.532 -4.117 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.522 -6.029 -5.405 1.00 0.00 N ATOM 951 CD2 HIS A 57 -4.702 -6.210 -3.576 1.00 0.00 C ATOM 952 CE1 HIS A 57 -4.679 -5.434 -5.626 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.411 -5.529 -4.534 1.00 0.00 N ATOM 0 H HIS A 57 -1.094 -7.167 -6.376 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.797 -8.702 -3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.702 -7.946 -2.754 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.678 -6.552 -3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.038 -6.445 -2.577 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.976 -4.951 -6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.353 -5.156 -4.419 1.00 0.00 H new ATOM 962 N LEU A 58 -2.275 -10.321 -5.115 1.00 0.00 N ATOM 963 CA LEU A 58 -3.073 -11.327 -5.820 1.00 0.00 C ATOM 964 C LEU A 58 -2.655 -11.433 -7.288 1.00 0.00 C ATOM 965 O LEU A 58 -2.082 -10.496 -7.848 1.00 0.00 O ATOM 966 CB LEU A 58 -4.568 -10.994 -5.719 1.00 0.00 C ATOM 967 CG LEU A 58 -5.506 -12.204 -5.646 1.00 0.00 C ATOM 968 CD1 LEU A 58 -5.649 -12.689 -4.210 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.869 -11.862 -6.236 1.00 0.00 C ATOM 0 H LEU A 58 -1.613 -10.709 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.893 -12.291 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.727 -10.378 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.848 -10.390 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.070 -13.010 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.319 -13.548 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.671 -12.978 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.059 -11.888 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.521 -12.733 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.311 -11.038 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.751 -11.569 -7.279 1.00 0.00 H new ATOM 1071 N PRO A 65 -3.417 -3.633 -11.951 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.529 -3.541 -10.783 1.00 0.00 C ATOM 1073 C PRO A 65 -2.706 -2.224 -10.025 1.00 0.00 C ATOM 1074 O PRO A 65 -3.424 -1.330 -10.476 1.00 0.00 O ATOM 1075 CB PRO A 65 -1.118 -3.628 -11.387 1.00 0.00 C ATOM 1076 CG PRO A 65 -1.310 -4.221 -12.742 1.00 0.00 C ATOM 1077 CD PRO A 65 -2.658 -3.751 -13.207 1.00 0.00 C ATOM 0 HA PRO A 65 -2.738 -4.323 -10.053 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.655 -2.643 -11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.465 -4.249 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.526 -3.896 -13.426 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.268 -5.309 -12.702 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.594 -2.798 -13.732 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.119 -4.462 -13.892 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.052 -2.114 -8.868 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.144 -0.907 -8.047 1.00 0.00 C ATOM 1087 C ASN A 66 -0.854 -0.092 -8.118 1.00 0.00 C ATOM 1088 O ASN A 66 0.247 -0.646 -8.061 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.453 -1.277 -6.592 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.936 -1.495 -6.349 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.595 -0.685 -5.700 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.469 -2.597 -6.869 1.00 0.00 N ATOM 0 H ASN A 66 -1.455 -2.844 -8.479 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.955 -0.294 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.908 -2.183 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.093 -0.485 -5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.460 -2.796 -6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.886 -3.243 -7.401 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.996 1.225 -8.242 1.00 0.00 N ATOM 1100 CA ARG A 67 0.158 2.117 -8.322 1.00 0.00 C ATOM 1101 C ARG A 67 -0.103 3.426 -7.576 1.00 0.00 C ATOM 1102 O ARG A 67 -1.247 3.871 -7.464 1.00 0.00 O ATOM 1103 CB ARG A 67 0.512 2.401 -9.788 1.00 0.00 C ATOM 1104 CG ARG A 67 -0.591 3.104 -10.569 1.00 0.00 C ATOM 1105 CD ARG A 67 -1.400 2.123 -11.404 1.00 0.00 C ATOM 1106 NE ARG A 67 -2.428 2.798 -12.197 1.00 0.00 N ATOM 1107 CZ ARG A 67 -3.200 2.186 -13.099 1.00 0.00 C ATOM 1108 NH1 ARG A 67 -3.071 0.882 -13.330 1.00 0.00 N ATOM 1109 NH2 ARG A 67 -4.108 2.882 -13.773 1.00 0.00 N ATOM 0 H ARG A 67 -1.898 1.698 -8.289 1.00 0.00 H new ATOM 0 HA ARG A 67 1.002 1.619 -7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.413 3.014 -9.821 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.749 1.459 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.252 3.625 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.151 3.860 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.732 1.574 -12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.870 1.390 -10.748 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.564 3.798 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.377 0.339 -12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.666 0.425 -14.021 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.215 3.882 -13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.699 2.417 -14.462 1.00 0.00 H new ATOM 1123 N THR A 68 0.967 4.034 -7.068 1.00 0.00 N ATOM 1124 CA THR A 68 0.868 5.289 -6.327 1.00 0.00 C ATOM 1125 C THR A 68 1.872 6.313 -6.853 1.00 0.00 C ATOM 1126 O THR A 68 3.069 6.245 -6.553 1.00 0.00 O ATOM 1127 CB THR A 68 1.098 5.041 -4.832 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.149 4.120 -4.322 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.018 6.296 -3.987 1.00 0.00 C ATOM 0 H THR A 68 1.918 3.675 -7.157 1.00 0.00 H new ATOM 0 HA THR A 68 -0.135 5.691 -6.469 1.00 0.00 H new ATOM 0 HB THR A 68 2.112 4.646 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.295 3.999 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.191 6.042 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.776 7.006 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.030 6.744 -4.093 1.00 0.00 H new ATOM 1137 N PHE A 69 1.369 7.261 -7.639 1.00 0.00 N ATOM 1138 CA PHE A 69 2.200 8.316 -8.218 1.00 0.00 C ATOM 1139 C PHE A 69 1.564 9.686 -7.981 1.00 0.00 C ATOM 1140 O PHE A 69 2.231 10.621 -7.533 1.00 0.00 O ATOM 1141 CB PHE A 69 2.395 8.071 -9.720 1.00 0.00 C ATOM 1142 CG PHE A 69 3.498 8.891 -10.338 1.00 0.00 C ATOM 1143 CD1 PHE A 69 4.824 8.661 -10.003 1.00 0.00 C ATOM 1144 CD2 PHE A 69 3.207 9.884 -11.260 1.00 0.00 C ATOM 1145 CE1 PHE A 69 5.837 9.409 -10.575 1.00 0.00 C ATOM 1146 CE2 PHE A 69 4.215 10.634 -11.835 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.531 10.394 -11.493 1.00 0.00 C ATOM 0 H PHE A 69 0.383 7.321 -7.892 1.00 0.00 H new ATOM 0 HA PHE A 69 3.175 8.299 -7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.609 7.014 -9.880 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.461 8.289 -10.237 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.068 7.889 -9.288 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.179 10.074 -11.532 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.866 9.223 -10.304 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.974 11.406 -12.550 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.321 10.977 -11.943 1.00 0.00 H new ATOM 1157 N THR A 70 0.268 9.794 -8.284 1.00 0.00 N ATOM 1158 CA THR A 70 -0.469 11.048 -8.106 1.00 0.00 C ATOM 1159 C THR A 70 -1.890 10.804 -7.574 1.00 0.00 C ATOM 1160 O THR A 70 -2.400 11.591 -6.774 1.00 0.00 O ATOM 1161 CB THR A 70 -0.517 11.831 -9.426 1.00 0.00 C ATOM 1162 OG1 THR A 70 -1.410 12.929 -9.337 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.941 10.995 -10.619 1.00 0.00 C ATOM 0 H THR A 70 -0.293 9.027 -8.654 1.00 0.00 H new ATOM 0 HA THR A 70 0.062 11.640 -7.361 1.00 0.00 H new ATOM 0 HB THR A 70 0.508 12.166 -9.585 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.421 13.412 -10.190 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.951 11.617 -11.514 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.238 10.173 -10.756 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.939 10.593 -10.445 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.528 9.717 -8.028 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.888 9.370 -7.605 1.00 0.00 C ATOM 1173 C ASP A 71 -4.025 9.343 -6.076 1.00 0.00 C ATOM 1174 O ASP A 71 -3.032 9.215 -5.355 1.00 0.00 O ATOM 1175 CB ASP A 71 -4.284 8.006 -8.182 1.00 0.00 C ATOM 1176 CG ASP A 71 -5.282 8.121 -9.317 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -4.939 8.736 -10.349 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -6.406 7.595 -9.178 1.00 0.00 O ATOM 0 H ASP A 71 -2.119 9.060 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.556 10.142 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.391 7.493 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.710 7.390 -7.390 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.268 9.468 -5.566 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.548 9.462 -4.122 1.00 0.00 C ATOM 1185 C PRO A 72 -5.391 8.074 -3.491 1.00 0.00 C ATOM 1186 O PRO A 72 -5.246 7.075 -4.195 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.006 9.922 -4.046 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.599 9.505 -5.346 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.500 9.634 -6.364 1.00 0.00 C ATOM 0 HA PRO A 72 -4.852 10.096 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.525 9.459 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.075 11.001 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.966 8.480 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.449 10.136 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.581 8.873 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.527 10.603 -6.863 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.415 8.002 -2.142 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.273 6.735 -1.405 1.00 0.00 C ATOM 1199 C PRO A 73 -6.327 5.696 -1.790 1.00 0.00 C ATOM 1200 O PRO A 73 -7.437 6.044 -2.196 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.456 7.146 0.059 1.00 0.00 C ATOM 1202 CG PRO A 73 -5.140 8.602 0.095 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.577 9.151 -1.232 1.00 0.00 C ATOM 0 HA PRO A 73 -4.316 6.260 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.474 6.955 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.791 6.582 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.664 9.095 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.074 8.767 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.609 9.499 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.963 9.998 -1.539 1.00 0.00 H new ATOM 1211 N PHE A 74 -5.968 4.418 -1.650 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.872 3.316 -1.973 1.00 0.00 C ATOM 1213 C PHE A 74 -7.510 2.743 -0.708 1.00 0.00 C ATOM 1214 O PHE A 74 -6.857 2.625 0.329 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.117 2.214 -2.721 1.00 0.00 C ATOM 1216 CG PHE A 74 -5.864 2.531 -4.169 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -6.920 2.688 -5.053 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -4.570 2.678 -4.645 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -6.690 2.981 -6.384 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -4.335 2.971 -5.974 1.00 0.00 C ATOM 1221 CZ PHE A 74 -5.397 3.123 -6.846 1.00 0.00 C ATOM 0 H PHE A 74 -5.052 4.121 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.664 3.705 -2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.163 2.038 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.686 1.287 -2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.934 2.580 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.736 2.562 -3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.522 3.099 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.322 3.081 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.216 3.352 -7.886 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.791 2.385 -0.806 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.533 1.820 0.322 1.00 0.00 C ATOM 1233 C ARG A 75 -10.822 1.155 -0.165 1.00 0.00 C ATOM 1234 O ARG A 75 -11.871 1.800 -0.248 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.858 2.914 1.348 1.00 0.00 C ATOM 1236 CG ARG A 75 -9.242 2.674 2.718 1.00 0.00 C ATOM 1237 CD ARG A 75 -8.102 3.644 2.997 1.00 0.00 C ATOM 1238 NE ARG A 75 -8.574 4.894 3.588 1.00 0.00 N ATOM 1239 CZ ARG A 75 -8.900 5.036 4.876 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -8.794 4.010 5.719 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -9.329 6.211 5.324 1.00 0.00 N ATOM 0 H ARG A 75 -9.339 2.477 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.910 1.064 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.508 3.873 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.940 2.989 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.008 2.781 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.872 1.650 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.384 3.174 3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.575 3.860 2.068 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.660 5.708 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.462 3.106 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.045 4.128 6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.409 7.002 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.578 6.322 6.307 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.739 -0.135 -0.502 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.900 -0.878 -0.996 1.00 0.00 C ATOM 1257 C ILE A 76 -11.932 -2.306 -0.447 1.00 0.00 C ATOM 1258 O ILE A 76 -10.890 -2.951 -0.307 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.916 -0.945 -2.543 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -11.690 0.442 -3.156 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -13.230 -1.538 -3.035 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -10.237 0.741 -3.452 1.00 0.00 C ATOM 0 H ILE A 76 -9.882 -0.685 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.779 -0.337 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.099 -1.592 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.264 0.521 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.077 1.199 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.226 -1.578 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.347 -2.545 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.059 -0.915 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.151 1.738 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.661 0.695 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.851 0.006 -4.158 1.00 0.00 H new ATOM 1274 N GLU A 77 -13.136 -2.799 -0.155 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.311 -4.154 0.362 1.00 0.00 C ATOM 1276 C GLU A 77 -14.463 -4.864 -0.352 1.00 0.00 C ATOM 1277 O GLU A 77 -15.472 -4.242 -0.690 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.561 -4.133 1.873 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.771 -3.311 2.289 1.00 0.00 C ATOM 1280 CD GLU A 77 -15.693 -4.069 3.224 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -15.320 -4.262 4.400 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -16.789 -4.472 2.779 1.00 0.00 O ATOM 0 H GLU A 77 -14.005 -2.278 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.391 -4.706 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.692 -5.157 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.677 -3.737 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.435 -2.397 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.326 -3.012 1.400 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.300 -6.167 -0.583 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.322 -6.961 -1.265 1.00 0.00 C ATOM 1291 C GLU A 78 -15.241 -8.433 -0.859 1.00 0.00 C ATOM 1292 O GLU A 78 -14.425 -8.814 -0.017 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.163 -6.825 -2.783 1.00 0.00 C ATOM 1294 CG GLU A 78 -16.475 -6.584 -3.518 1.00 0.00 C ATOM 1295 CD GLU A 78 -16.280 -5.951 -4.884 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -15.460 -5.017 -4.998 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -16.950 -6.394 -5.843 1.00 0.00 O ATOM 0 H GLU A 78 -13.471 -6.694 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.300 -6.582 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.481 -6.001 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.699 -7.731 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.000 -7.532 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.112 -5.939 -2.912 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.095 -9.257 -1.468 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.128 -10.690 -1.183 1.00 0.00 C ATOM 1306 C GLN A 79 -15.843 -11.496 -2.447 1.00 0.00 C ATOM 1307 O GLN A 79 -16.363 -11.187 -3.521 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.490 -11.083 -0.607 1.00 0.00 C ATOM 1309 CG GLN A 79 -17.417 -12.194 0.428 1.00 0.00 C ATOM 1310 CD GLN A 79 -18.692 -12.319 1.242 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -18.666 -12.253 2.471 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.817 -12.503 0.559 1.00 0.00 N ATOM 0 H GLN A 79 -16.775 -8.953 -2.165 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.354 -10.912 -0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.950 -10.205 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.142 -11.399 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.217 -13.141 -0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.579 -12.006 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.793 -12.552 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.704 -12.596 1.053 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.014 -12.530 -2.312 1.00 0.00 N ATOM 1322 CA GLY A 80 -14.670 -13.369 -3.452 1.00 0.00 C ATOM 1323 C GLY A 80 -13.806 -14.557 -3.072 1.00 0.00 C ATOM 1324 O GLY A 80 -13.620 -14.844 -1.890 1.00 0.00 O ATOM 0 H GLY A 80 -14.574 -12.803 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.586 -13.728 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.145 -12.767 -4.194 1.00 0.00 H new ATOM 1328 N TRP A 81 -13.280 -15.253 -4.079 1.00 0.00 N ATOM 1329 CA TRP A 81 -12.434 -16.419 -3.842 1.00 0.00 C ATOM 1330 C TRP A 81 -11.106 -16.293 -4.590 1.00 0.00 C ATOM 1331 O TRP A 81 -11.064 -16.364 -5.820 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.160 -17.711 -4.249 1.00 0.00 C ATOM 1333 CG TRP A 81 -13.781 -17.673 -5.619 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.837 -16.904 -6.026 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.391 -18.450 -6.758 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.119 -17.151 -7.349 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -14.248 -18.098 -7.819 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.398 -19.407 -6.984 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -14.140 -18.673 -9.085 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -12.293 -19.976 -8.240 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -13.160 -19.607 -9.276 1.00 0.00 C ATOM 0 H TRP A 81 -13.425 -15.030 -5.064 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.220 -16.466 -2.774 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -12.452 -18.539 -4.208 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -13.939 -17.921 -3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.371 -16.205 -5.400 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.857 -16.702 -7.892 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.724 -19.697 -6.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -14.807 -18.390 -9.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.530 -20.717 -8.425 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.052 -20.070 -10.246 1.00 0.00 H new ATOM 1352 N GLY A 82 -10.023 -16.105 -3.834 1.00 0.00 N ATOM 1353 CA GLY A 82 -8.705 -15.969 -4.432 1.00 0.00 C ATOM 1354 C GLY A 82 -7.609 -15.773 -3.395 1.00 0.00 C ATOM 1355 O GLY A 82 -7.713 -14.895 -2.536 1.00 0.00 O ATOM 0 H GLY A 82 -10.037 -16.045 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.485 -16.858 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.707 -15.122 -5.118 1.00 0.00 H new ATOM 1359 N GLY A 83 -6.560 -16.591 -3.479 1.00 0.00 N ATOM 1360 CA GLY A 83 -5.454 -16.490 -2.539 1.00 0.00 C ATOM 1361 C GLY A 83 -4.108 -16.403 -3.239 1.00 0.00 C ATOM 1362 O GLY A 83 -3.709 -17.333 -3.942 1.00 0.00 O ATOM 0 H GLY A 83 -6.457 -17.323 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.592 -15.609 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.462 -17.357 -1.878 1.00 0.00 H new ATOM 1366 N PHE A 84 -3.408 -15.281 -3.045 1.00 0.00 N ATOM 1367 CA PHE A 84 -2.098 -15.071 -3.668 1.00 0.00 C ATOM 1368 C PHE A 84 -1.279 -14.031 -2.886 1.00 0.00 C ATOM 1369 O PHE A 84 -1.817 -13.320 -2.036 1.00 0.00 O ATOM 1370 CB PHE A 84 -2.273 -14.619 -5.124 1.00 0.00 C ATOM 1371 CG PHE A 84 -2.368 -15.752 -6.112 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -1.287 -16.590 -6.342 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -3.541 -15.973 -6.817 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -1.376 -17.625 -7.254 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -3.634 -17.006 -7.731 1.00 0.00 C ATOM 1376 CZ PHE A 84 -2.550 -17.832 -7.949 1.00 0.00 C ATOM 0 H PHE A 84 -3.726 -14.506 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.555 -16.016 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.174 -14.010 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.433 -13.981 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.365 -16.432 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.393 -15.330 -6.650 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.527 -18.271 -7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.554 -17.166 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.621 -18.639 -8.663 1.00 0.00 H new ATOM 1386 N PRO A 85 0.041 -13.935 -3.159 1.00 0.00 N ATOM 1387 CA PRO A 85 0.936 -12.987 -2.473 1.00 0.00 C ATOM 1388 C PRO A 85 0.668 -11.525 -2.843 1.00 0.00 C ATOM 1389 O PRO A 85 -0.065 -11.237 -3.791 1.00 0.00 O ATOM 1390 CB PRO A 85 2.332 -13.414 -2.945 1.00 0.00 C ATOM 1391 CG PRO A 85 2.102 -14.082 -4.258 1.00 0.00 C ATOM 1392 CD PRO A 85 0.763 -14.757 -4.150 1.00 0.00 C ATOM 0 HA PRO A 85 0.800 -13.022 -1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.994 -12.555 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.800 -14.093 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.109 -13.357 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.888 -14.806 -4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.245 -14.777 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.860 -15.791 -3.819 1.00 0.00 H new ATOM 1400 N LEU A 86 1.271 -10.605 -2.086 1.00 0.00 N ATOM 1401 CA LEU A 86 1.108 -9.173 -2.322 1.00 0.00 C ATOM 1402 C LEU A 86 2.346 -8.409 -1.851 1.00 0.00 C ATOM 1403 O LEU A 86 2.699 -8.447 -0.672 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.149 -8.646 -1.616 1.00 0.00 C ATOM 1405 CG LEU A 86 -0.264 -8.988 -0.131 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.104 -7.946 0.588 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.861 -10.375 0.049 1.00 0.00 C ATOM 0 H LEU A 86 1.880 -10.831 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 86 0.990 -9.014 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.177 -7.562 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.025 -9.040 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 86 0.735 -8.985 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.177 -8.203 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.636 -6.967 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.102 -7.919 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.936 -10.604 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.854 -10.405 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.221 -11.112 -0.436 1.00 0.00 H new ATOM 1419 N ASP A 87 3.008 -7.731 -2.785 1.00 0.00 N ATOM 1420 CA ASP A 87 4.221 -6.971 -2.478 1.00 0.00 C ATOM 1421 C ASP A 87 4.075 -5.502 -2.880 1.00 0.00 C ATOM 1422 O ASP A 87 3.304 -5.170 -3.781 1.00 0.00 O ATOM 1423 CB ASP A 87 5.425 -7.587 -3.203 1.00 0.00 C ATOM 1424 CG ASP A 87 5.498 -9.095 -3.048 1.00 0.00 C ATOM 1425 OD1 ASP A 87 4.635 -9.797 -3.618 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.421 -9.576 -2.364 1.00 0.00 O ATOM 0 H ASP A 87 2.725 -7.691 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 87 4.380 -7.016 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.371 -7.338 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.342 -7.142 -2.817 1.00 0.00 H new ATOM 1431 N ILE A 88 4.831 -4.627 -2.212 1.00 0.00 N ATOM 1432 CA ILE A 88 4.795 -3.191 -2.507 1.00 0.00 C ATOM 1433 C ILE A 88 6.189 -2.570 -2.434 1.00 0.00 C ATOM 1434 O ILE A 88 7.050 -3.040 -1.686 1.00 0.00 O ATOM 1435 CB ILE A 88 3.858 -2.426 -1.547 1.00 0.00 C ATOM 1436 CG1 ILE A 88 4.300 -2.610 -0.094 1.00 0.00 C ATOM 1437 CG2 ILE A 88 2.421 -2.885 -1.729 1.00 0.00 C ATOM 1438 CD1 ILE A 88 4.222 -1.341 0.727 1.00 0.00 C ATOM 0 H ILE A 88 5.475 -4.886 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 88 4.410 -3.101 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 88 3.916 -1.365 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.678 -3.374 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.325 -2.981 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.774 -2.336 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.106 -2.697 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.350 -3.952 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.550 -1.546 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.866 -0.581 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.193 -0.980 0.743 1.00 0.00 H new ATOM 1450 N SER A 89 6.399 -1.504 -3.209 1.00 0.00 N ATOM 1451 CA SER A 89 7.685 -0.807 -3.230 1.00 0.00 C ATOM 1452 C SER A 89 7.488 0.708 -3.225 1.00 0.00 C ATOM 1453 O SER A 89 6.509 1.219 -3.772 1.00 0.00 O ATOM 1454 CB SER A 89 8.503 -1.227 -4.453 1.00 0.00 C ATOM 1455 OG SER A 89 7.820 -0.926 -5.658 1.00 0.00 O ATOM 0 H SER A 89 5.695 -1.105 -3.830 1.00 0.00 H new ATOM 0 HA SER A 89 8.231 -1.085 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.466 -0.717 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.708 -2.297 -4.406 1.00 0.00 H new ATOM 0 HG SER A 89 8.367 -1.204 -6.422 1.00 0.00 H new ATOM 1461 N VAL A 90 8.424 1.419 -2.601 1.00 0.00 N ATOM 1462 CA VAL A 90 8.357 2.873 -2.514 1.00 0.00 C ATOM 1463 C VAL A 90 9.651 3.520 -3.013 1.00 0.00 C ATOM 1464 O VAL A 90 10.745 3.031 -2.727 1.00 0.00 O ATOM 1465 CB VAL A 90 8.083 3.326 -1.061 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.817 4.822 -1.002 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.917 2.547 -0.464 1.00 0.00 C ATOM 0 H VAL A 90 9.240 1.009 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 90 7.535 3.197 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 90 8.973 3.116 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.627 5.117 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.686 5.361 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.947 5.061 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.741 2.882 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.021 2.719 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.153 1.483 -0.462 1.00 0.00 H new ATOM 1477 N PHE A 91 9.511 4.626 -3.751 1.00 0.00 N ATOM 1478 CA PHE A 91 10.653 5.363 -4.292 1.00 0.00 C ATOM 1479 C PHE A 91 10.351 6.860 -4.279 1.00 0.00 C ATOM 1480 O PHE A 91 9.190 7.265 -4.381 1.00 0.00 O ATOM 1481 CB PHE A 91 10.967 4.923 -5.729 1.00 0.00 C ATOM 1482 CG PHE A 91 11.763 3.653 -5.831 1.00 0.00 C ATOM 1483 CD1 PHE A 91 11.168 2.423 -5.595 1.00 0.00 C ATOM 1484 CD2 PHE A 91 13.106 3.688 -6.172 1.00 0.00 C ATOM 1485 CE1 PHE A 91 11.897 1.255 -5.696 1.00 0.00 C ATOM 1486 CE2 PHE A 91 13.842 2.522 -6.274 1.00 0.00 C ATOM 1487 CZ PHE A 91 13.236 1.304 -6.035 1.00 0.00 C ATOM 0 H PHE A 91 8.606 5.033 -3.988 1.00 0.00 H new ATOM 0 HA PHE A 91 11.520 5.150 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 91 10.029 4.794 -6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.515 5.722 -6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 91 10.122 2.378 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.584 4.638 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 91 11.421 0.303 -5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 91 14.888 2.563 -6.540 1.00 0.00 H new ATOM 0 HZ PHE A 91 13.808 0.391 -6.113 1.00 0.00 H new ATOM 1497 N LEU A 92 11.391 7.678 -4.155 1.00 0.00 N ATOM 1498 CA LEU A 92 11.217 9.129 -4.130 1.00 0.00 C ATOM 1499 C LEU A 92 12.345 9.843 -4.879 1.00 0.00 C ATOM 1500 O LEU A 92 12.089 10.732 -5.690 1.00 0.00 O ATOM 1501 CB LEU A 92 11.128 9.644 -2.688 1.00 0.00 C ATOM 1502 CG LEU A 92 10.485 8.688 -1.680 1.00 0.00 C ATOM 1503 CD1 LEU A 92 11.512 7.706 -1.142 1.00 0.00 C ATOM 1504 CD2 LEU A 92 9.845 9.470 -0.541 1.00 0.00 C ATOM 0 H LEU A 92 12.358 7.365 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 92 10.280 9.353 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.135 9.882 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.563 10.576 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 92 9.707 8.121 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.035 7.036 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.925 7.124 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.314 8.253 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.392 8.776 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.607 10.062 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.078 10.133 -0.941 1.00 0.00 H new ATOM 1516 N LEU A 93 13.590 9.454 -4.610 1.00 0.00 N ATOM 1517 CA LEU A 93 14.739 10.066 -5.273 1.00 0.00 C ATOM 1518 C LEU A 93 15.919 9.097 -5.343 1.00 0.00 C ATOM 1519 O LEU A 93 16.256 8.596 -6.417 1.00 0.00 O ATOM 1520 CB LEU A 93 15.159 11.348 -4.546 1.00 0.00 C ATOM 1521 CG LEU A 93 14.516 12.636 -5.072 1.00 0.00 C ATOM 1522 CD1 LEU A 93 13.853 13.407 -3.939 1.00 0.00 C ATOM 1523 CD2 LEU A 93 15.552 13.503 -5.775 1.00 0.00 C ATOM 0 H LEU A 93 13.828 8.722 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 93 14.440 10.316 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.914 11.244 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 93 16.242 11.447 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 93 13.748 12.364 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.403 14.318 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.080 12.789 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.601 13.667 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.077 14.413 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.344 13.765 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.978 12.953 -6.614 1.00 0.00 H new ATOM 1535 N GLU A 94 16.542 8.841 -4.192 1.00 0.00 N ATOM 1536 CA GLU A 94 17.684 7.937 -4.121 1.00 0.00 C ATOM 1537 C GLU A 94 17.567 6.998 -2.920 1.00 0.00 C ATOM 1538 O GLU A 94 17.367 5.795 -3.081 1.00 0.00 O ATOM 1539 CB GLU A 94 18.988 8.738 -4.042 1.00 0.00 C ATOM 1540 CG GLU A 94 20.091 8.193 -4.933 1.00 0.00 C ATOM 1541 CD GLU A 94 21.238 9.169 -5.098 1.00 0.00 C ATOM 1542 OE1 GLU A 94 21.005 10.276 -5.630 1.00 0.00 O ATOM 1543 OE2 GLU A 94 22.367 8.829 -4.689 1.00 0.00 O ATOM 0 H GLU A 94 16.272 9.249 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 94 17.694 7.330 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.786 9.773 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.337 8.747 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.468 7.262 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.678 7.954 -5.913 1.00 0.00 H new ATOM 1550 N LYS A 95 17.688 7.560 -1.717 1.00 0.00 N ATOM 1551 CA LYS A 95 17.590 6.773 -0.488 1.00 0.00 C ATOM 1552 C LYS A 95 16.884 7.563 0.618 1.00 0.00 C ATOM 1553 O LYS A 95 17.222 7.439 1.797 1.00 0.00 O ATOM 1554 CB LYS A 95 18.981 6.330 -0.022 1.00 0.00 C ATOM 1555 CG LYS A 95 19.889 7.479 0.391 1.00 0.00 C ATOM 1556 CD LYS A 95 20.859 7.850 -0.719 1.00 0.00 C ATOM 1557 CE LYS A 95 21.268 9.313 -0.636 1.00 0.00 C ATOM 1558 NZ LYS A 95 21.971 9.770 -1.868 1.00 0.00 N ATOM 0 H LYS A 95 17.854 8.555 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 95 16.994 5.886 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.871 5.647 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.461 5.771 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.283 8.347 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.447 7.200 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 95 21.746 7.219 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.398 7.654 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.382 9.928 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 95 21.918 9.459 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 22.944 10.049 -1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 21.993 8.996 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 21.467 10.584 -2.273 1.00 0.00 H new ATOM 1572 N ALA A 96 15.889 8.364 0.231 1.00 0.00 N ATOM 1573 CA ALA A 96 15.126 9.160 1.188 1.00 0.00 C ATOM 1574 C ALA A 96 14.110 8.287 1.916 1.00 0.00 C ATOM 1575 O ALA A 96 13.876 8.454 3.114 1.00 0.00 O ATOM 1576 CB ALA A 96 14.424 10.314 0.479 1.00 0.00 C ATOM 0 H ALA A 96 15.595 8.477 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 96 15.817 9.573 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.859 10.898 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.166 10.952 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.744 9.918 -0.275 1.00 0.00 H new ATOM 1582 N GLY A 97 13.515 7.356 1.176 1.00 0.00 N ATOM 1583 CA GLY A 97 12.533 6.453 1.745 1.00 0.00 C ATOM 1584 C GLY A 97 12.199 5.304 0.809 1.00 0.00 C ATOM 1585 O GLY A 97 11.046 4.874 0.731 1.00 0.00 O ATOM 0 H GLY A 97 13.699 7.211 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.911 6.054 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.623 7.007 1.976 1.00 0.00 H new ATOM 1589 N GLU A 98 13.210 4.808 0.098 1.00 0.00 N ATOM 1590 CA GLU A 98 13.024 3.707 -0.834 1.00 0.00 C ATOM 1591 C GLU A 98 12.993 2.380 -0.083 1.00 0.00 C ATOM 1592 O GLU A 98 14.033 1.882 0.354 1.00 0.00 O ATOM 1593 CB GLU A 98 14.140 3.704 -1.882 1.00 0.00 C ATOM 1594 CG GLU A 98 14.045 2.559 -2.878 1.00 0.00 C ATOM 1595 CD GLU A 98 15.406 2.076 -3.341 1.00 0.00 C ATOM 1596 OE1 GLU A 98 16.150 2.879 -3.939 1.00 0.00 O ATOM 1597 OE2 GLU A 98 15.724 0.893 -3.106 1.00 0.00 O ATOM 0 H GLU A 98 14.168 5.155 0.153 1.00 0.00 H new ATOM 0 HA GLU A 98 12.070 3.838 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.117 4.649 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.103 3.652 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.505 1.729 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.464 2.881 -3.742 1.00 0.00 H new ATOM 1604 N ARG A 99 11.796 1.822 0.080 1.00 0.00 N ATOM 1605 CA ARG A 99 11.639 0.561 0.797 1.00 0.00 C ATOM 1606 C ARG A 99 10.574 -0.330 0.159 1.00 0.00 C ATOM 1607 O ARG A 99 9.624 0.159 -0.455 1.00 0.00 O ATOM 1608 CB ARG A 99 11.275 0.834 2.259 1.00 0.00 C ATOM 1609 CG ARG A 99 12.468 0.824 3.201 1.00 0.00 C ATOM 1610 CD ARG A 99 12.983 -0.589 3.438 1.00 0.00 C ATOM 1611 NE ARG A 99 13.548 -0.750 4.778 1.00 0.00 N ATOM 1612 CZ ARG A 99 14.380 -1.738 5.124 1.00 0.00 C ATOM 1613 NH1 ARG A 99 14.740 -2.660 4.236 1.00 0.00 N ATOM 1614 NH2 ARG A 99 14.850 -1.804 6.365 1.00 0.00 N ATOM 0 H ARG A 99 10.926 2.221 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 99 12.591 0.032 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.780 1.803 2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.556 0.085 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.267 1.438 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.185 1.273 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.168 -1.300 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.743 -0.827 2.693 1.00 0.00 H new ATOM 0 HE ARG A 99 13.292 -0.067 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.381 -2.617 3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.375 -3.410 4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.576 -1.102 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.485 -2.557 6.631 1.00 0.00 H new ATOM 1628 N LYS A 100 10.741 -1.642 0.328 1.00 0.00 N ATOM 1629 CA LYS A 100 9.804 -2.627 -0.210 1.00 0.00 C ATOM 1630 C LYS A 100 9.434 -3.644 0.869 1.00 0.00 C ATOM 1631 O LYS A 100 10.239 -3.929 1.758 1.00 0.00 O ATOM 1632 CB LYS A 100 10.416 -3.351 -1.413 1.00 0.00 C ATOM 1633 CG LYS A 100 11.077 -2.421 -2.422 1.00 0.00 C ATOM 1634 CD LYS A 100 12.308 -3.060 -3.048 1.00 0.00 C ATOM 1635 CE LYS A 100 11.999 -3.641 -4.420 1.00 0.00 C ATOM 1636 NZ LYS A 100 13.186 -4.307 -5.025 1.00 0.00 N ATOM 0 H LYS A 100 11.525 -2.049 0.838 1.00 0.00 H new ATOM 0 HA LYS A 100 8.905 -2.104 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.155 -4.068 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.636 -3.922 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.362 -2.164 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.360 -1.490 -1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.100 -2.316 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.682 -3.848 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.185 -4.360 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.654 -2.846 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.932 -4.689 -5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.955 -3.615 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.501 -5.083 -4.408 1.00 0.00 H new ATOM 1650 N ILE A 101 8.218 -4.188 0.795 1.00 0.00 N ATOM 1651 CA ILE A 101 7.769 -5.170 1.781 1.00 0.00 C ATOM 1652 C ILE A 101 6.794 -6.187 1.177 1.00 0.00 C ATOM 1653 O ILE A 101 5.761 -5.817 0.615 1.00 0.00 O ATOM 1654 CB ILE A 101 7.115 -4.484 3.004 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.782 -5.519 4.086 1.00 0.00 C ATOM 1656 CG2 ILE A 101 5.866 -3.716 2.596 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.855 -5.650 5.147 1.00 0.00 C ATOM 0 H ILE A 101 7.534 -3.968 0.071 1.00 0.00 H new ATOM 0 HA ILE A 101 8.660 -5.705 2.110 1.00 0.00 H new ATOM 0 HB ILE A 101 7.830 -3.771 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.842 -5.244 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.628 -6.490 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.426 -3.244 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.132 -2.950 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.144 -4.403 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.553 -6.399 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.792 -5.955 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.993 -4.690 5.645 1.00 0.00 H new ATOM 1669 N PRO A 102 7.120 -7.491 1.289 1.00 0.00 N ATOM 1670 CA PRO A 102 6.287 -8.573 0.765 1.00 0.00 C ATOM 1671 C PRO A 102 5.226 -9.031 1.767 1.00 0.00 C ATOM 1672 O PRO A 102 5.395 -8.869 2.978 1.00 0.00 O ATOM 1673 CB PRO A 102 7.309 -9.679 0.524 1.00 0.00 C ATOM 1674 CG PRO A 102 8.329 -9.490 1.597 1.00 0.00 C ATOM 1675 CD PRO A 102 8.339 -8.017 1.937 1.00 0.00 C ATOM 0 HA PRO A 102 5.722 -8.278 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.848 -10.665 0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.756 -9.597 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.082 -10.087 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.312 -9.815 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.319 -7.856 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.236 -7.526 1.558 1.00 0.00 H new ATOM 1683 N HIS A 103 4.136 -9.604 1.255 1.00 0.00 N ATOM 1684 CA HIS A 103 3.047 -10.085 2.107 1.00 0.00 C ATOM 1685 C HIS A 103 2.279 -11.229 1.440 1.00 0.00 C ATOM 1686 O HIS A 103 2.466 -11.507 0.254 1.00 0.00 O ATOM 1687 CB HIS A 103 2.092 -8.935 2.442 1.00 0.00 C ATOM 1688 CG HIS A 103 2.160 -8.490 3.872 1.00 0.00 C ATOM 1689 ND1 HIS A 103 1.277 -7.586 4.420 1.00 0.00 N ATOM 1690 CD2 HIS A 103 3.015 -8.828 4.869 1.00 0.00 C ATOM 1691 CE1 HIS A 103 1.584 -7.386 5.690 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.634 -8.128 5.987 1.00 0.00 N ATOM 0 H HIS A 103 3.984 -9.746 0.257 1.00 0.00 H new ATOM 0 HA HIS A 103 3.486 -10.468 3.028 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.319 -8.087 1.796 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.072 -9.245 2.216 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.842 -9.519 4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.064 -6.727 6.369 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.089 -8.174 6.899 1.00 0.00 H new ATOM 1701 N ASP A 104 1.415 -11.888 2.216 1.00 0.00 N ATOM 1702 CA ASP A 104 0.616 -13.004 1.712 1.00 0.00 C ATOM 1703 C ASP A 104 -0.872 -12.786 1.989 1.00 0.00 C ATOM 1704 O ASP A 104 -1.246 -12.296 3.057 1.00 0.00 O ATOM 1705 CB ASP A 104 1.076 -14.315 2.355 1.00 0.00 C ATOM 1706 CG ASP A 104 2.481 -14.703 1.931 1.00 0.00 C ATOM 1707 OD1 ASP A 104 3.445 -14.215 2.557 1.00 0.00 O ATOM 1708 OD2 ASP A 104 2.614 -15.492 0.973 1.00 0.00 O ATOM 0 H ASP A 104 1.252 -11.666 3.198 1.00 0.00 H new ATOM 0 HA ASP A 104 0.760 -13.060 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.040 -14.217 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.384 -15.112 2.084 1.00 0.00 H new ATOM 1713 N LEU A 105 -1.716 -13.156 1.024 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.162 -13.001 1.167 1.00 0.00 C ATOM 1715 C LEU A 105 -3.876 -14.342 1.021 1.00 0.00 C ATOM 1716 O LEU A 105 -4.214 -14.764 -0.087 1.00 0.00 O ATOM 1717 CB LEU A 105 -3.700 -11.999 0.139 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.220 -11.819 0.131 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.693 -11.188 1.434 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -5.651 -10.978 -1.064 1.00 0.00 C ATOM 0 H LEU A 105 -1.422 -13.564 0.137 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.360 -12.617 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.237 -11.030 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.384 -12.318 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.683 -12.802 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.776 -11.069 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.419 -11.831 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.223 -10.212 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.735 -10.860 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.179 -9.997 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.349 -11.474 -1.986 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.112 -15.002 2.154 1.00 0.00 N ATOM 1733 CA ASN A 106 -4.798 -16.289 2.167 1.00 0.00 C ATOM 1734 C ASN A 106 -6.220 -16.128 2.714 1.00 0.00 C ATOM 1735 O ASN A 106 -6.708 -15.004 2.857 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.008 -17.311 2.996 1.00 0.00 C ATOM 1737 CG ASN A 106 -3.514 -18.485 2.163 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -2.393 -18.958 2.345 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -4.351 -18.967 1.247 1.00 0.00 N ATOM 0 H ASN A 106 -3.837 -14.664 3.076 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.864 -16.659 1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.155 -16.815 3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.638 -17.683 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.071 -19.757 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.273 -18.547 1.127 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.888 -17.246 3.003 1.00 0.00 N ATOM 1747 CA PHE A 107 -8.258 -17.204 3.517 1.00 0.00 C ATOM 1748 C PHE A 107 -8.358 -17.769 4.933 1.00 0.00 C ATOM 1749 O PHE A 107 -7.454 -18.459 5.408 1.00 0.00 O ATOM 1750 CB PHE A 107 -9.216 -17.966 2.585 1.00 0.00 C ATOM 1751 CG PHE A 107 -8.594 -19.148 1.886 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -7.878 -18.976 0.713 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -8.727 -20.427 2.403 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -7.306 -20.056 0.069 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -8.157 -21.511 1.763 1.00 0.00 C ATOM 1756 CZ PHE A 107 -7.446 -21.325 0.595 1.00 0.00 C ATOM 0 H PHE A 107 -6.506 -18.185 2.891 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.549 -16.154 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.071 -18.311 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.599 -17.275 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -7.766 -17.986 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -9.283 -20.578 3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.750 -19.908 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -8.268 -22.503 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 107 -7.000 -22.171 0.093 1.00 0.00 H new ATOM 1766 N LEU A 108 -9.483 -17.466 5.591 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.768 -17.923 6.956 1.00 0.00 C ATOM 1768 C LEU A 108 -9.143 -16.995 8.001 1.00 0.00 C ATOM 1769 O LEU A 108 -8.200 -17.371 8.701 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.290 -19.366 7.165 1.00 0.00 C ATOM 1771 CG LEU A 108 -10.142 -20.207 8.123 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.299 -21.626 7.595 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.523 -20.219 9.513 1.00 0.00 C ATOM 0 H LEU A 108 -10.225 -16.894 5.189 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.850 -17.896 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.262 -19.866 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.267 -19.341 7.541 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.132 -19.756 8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.907 -22.207 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.786 -21.600 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.317 -22.089 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.140 -20.820 10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.521 -20.646 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.464 -19.199 9.894 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.695 -15.784 8.104 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.228 -14.781 9.068 1.00 0.00 C ATOM 1787 C GLN A 109 -7.786 -14.345 8.788 1.00 0.00 C ATOM 1788 O GLN A 109 -6.836 -15.066 9.100 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.343 -15.316 10.500 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.719 -15.878 10.836 1.00 0.00 C ATOM 1791 CD GLN A 109 -10.845 -16.307 12.286 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -9.864 -16.337 13.027 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -12.062 -16.644 12.700 1.00 0.00 N ATOM 0 H GLN A 109 -10.474 -15.471 7.525 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.869 -13.906 8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.596 -16.096 10.648 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.108 -14.513 11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.476 -15.125 10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.924 -16.732 10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.850 -16.605 12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.208 -16.941 13.665 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.637 -13.154 8.207 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.321 -12.606 7.894 1.00 0.00 C ATOM 1804 C GLU A 110 -6.160 -11.207 8.479 1.00 0.00 C ATOM 1805 O GLU A 110 -7.043 -10.359 8.348 1.00 0.00 O ATOM 1806 CB GLU A 110 -6.103 -12.548 6.381 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.702 -12.102 5.983 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.748 -13.267 5.801 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.849 -13.959 4.768 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.903 -13.485 6.693 1.00 0.00 O ATOM 0 H GLU A 110 -8.416 -12.550 7.944 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.577 -13.266 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.296 -13.533 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.831 -11.865 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.756 -11.533 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.308 -11.431 6.746 1.00 0.00 H new ATOM 1817 N SER A 111 -5.012 -10.979 9.109 1.00 0.00 N ATOM 1818 CA SER A 111 -4.688 -9.690 9.711 1.00 0.00 C ATOM 1819 C SER A 111 -3.238 -9.327 9.395 1.00 0.00 C ATOM 1820 O SER A 111 -2.382 -9.294 10.281 1.00 0.00 O ATOM 1821 CB SER A 111 -4.913 -9.733 11.226 1.00 0.00 C ATOM 1822 OG SER A 111 -5.316 -8.467 11.720 1.00 0.00 O ATOM 0 H SER A 111 -4.281 -11.682 9.217 1.00 0.00 H new ATOM 0 HA SER A 111 -5.345 -8.927 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.673 -10.477 11.462 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.995 -10.045 11.724 1.00 0.00 H new ATOM 0 HG SER A 111 -5.454 -8.523 12.689 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.969 -9.068 8.116 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.629 -8.726 7.666 1.00 0.00 C ATOM 1830 C TYR A 112 -1.612 -7.342 7.038 1.00 0.00 C ATOM 1831 O TYR A 112 -2.304 -7.085 6.051 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.124 -9.769 6.666 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.143 -10.759 7.258 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -0.386 -11.366 8.485 1.00 0.00 C ATOM 1835 CD2 TYR A 112 1.025 -11.089 6.584 1.00 0.00 C ATOM 1836 CE1 TYR A 112 0.509 -12.270 9.024 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.925 -11.992 7.116 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.662 -12.580 8.335 1.00 0.00 C ATOM 1839 OH TYR A 112 2.556 -13.482 8.867 1.00 0.00 O ATOM 0 H TYR A 112 -3.668 -9.090 7.373 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.966 -8.719 8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.977 -10.314 6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.649 -9.256 5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.290 -11.127 9.026 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.233 -10.632 5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 112 0.307 -12.731 9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.830 -12.236 6.580 1.00 0.00 H new ATOM 0 HH TYR A 112 3.315 -13.590 8.256 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.825 -6.450 7.626 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.722 -5.081 7.137 1.00 0.00 C ATOM 1851 C GLU A 113 0.649 -4.477 7.453 1.00 0.00 C ATOM 1852 O GLU A 113 1.279 -4.834 8.452 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.840 -4.241 7.752 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.639 -3.927 9.227 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.908 -4.111 10.036 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.177 -5.252 10.469 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -3.635 -3.114 10.233 1.00 0.00 O ATOM 0 H GLU A 113 -0.248 -6.650 8.443 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.829 -5.087 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.923 -3.305 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.786 -4.768 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.858 -4.572 9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.290 -2.900 9.333 1.00 0.00 H new ATOM 1864 N VAL A 114 1.107 -3.568 6.591 1.00 0.00 N ATOM 1865 CA VAL A 114 2.406 -2.919 6.772 1.00 0.00 C ATOM 1866 C VAL A 114 2.271 -1.401 6.843 1.00 0.00 C ATOM 1867 O VAL A 114 1.376 -0.815 6.230 1.00 0.00 O ATOM 1868 CB VAL A 114 3.389 -3.263 5.631 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.814 -2.898 6.023 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.295 -4.732 5.254 1.00 0.00 C ATOM 0 H VAL A 114 0.598 -3.265 5.761 1.00 0.00 H new ATOM 0 HA VAL A 114 2.799 -3.299 7.715 1.00 0.00 H new ATOM 0 HB VAL A 114 3.111 -2.674 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.491 -3.148 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.872 -1.829 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.100 -3.455 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.997 -4.947 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.538 -5.346 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.282 -4.958 4.922 1.00 0.00 H new ATOM 1880 N GLU A 115 3.181 -0.771 7.585 1.00 0.00 N ATOM 1881 CA GLU A 115 3.187 0.678 7.732 1.00 0.00 C ATOM 1882 C GLU A 115 4.611 1.223 7.647 1.00 0.00 C ATOM 1883 O GLU A 115 5.415 1.030 8.561 1.00 0.00 O ATOM 1884 CB GLU A 115 2.547 1.076 9.065 1.00 0.00 C ATOM 1885 CG GLU A 115 1.036 0.902 9.087 1.00 0.00 C ATOM 1886 CD GLU A 115 0.495 0.624 10.476 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.649 1.493 11.359 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.093 -0.461 10.679 1.00 0.00 O ATOM 0 H GLU A 115 3.925 -1.247 8.095 1.00 0.00 H new ATOM 0 HA GLU A 115 2.605 1.109 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.986 0.477 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.788 2.117 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.566 1.803 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.760 0.082 8.424 1.00 0.00 H new ATOM 1895 N HIS A 116 4.915 1.903 6.540 1.00 0.00 N ATOM 1896 CA HIS A 116 6.243 2.481 6.326 1.00 0.00 C ATOM 1897 C HIS A 116 6.175 4.007 6.309 1.00 0.00 C ATOM 1898 O HIS A 116 5.221 4.584 5.789 1.00 0.00 O ATOM 1899 CB HIS A 116 6.834 1.966 5.011 1.00 0.00 C ATOM 1900 CG HIS A 116 7.705 0.754 5.166 1.00 0.00 C ATOM 1901 ND1 HIS A 116 7.760 -0.003 6.320 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.560 0.166 4.296 1.00 0.00 C ATOM 1903 CE1 HIS A 116 8.609 -1.000 6.152 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.108 -0.920 4.932 1.00 0.00 N ATOM 0 H HIS A 116 4.258 2.067 5.777 1.00 0.00 H new ATOM 0 HA HIS A 116 6.887 2.176 7.151 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.019 1.730 4.326 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.417 2.763 4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 116 8.772 0.491 3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 116 8.854 -1.753 6.887 1.00 0.00 H new ATOM 0 HE2 HIS A 116 9.790 -1.561 4.528 1.00 0.00 H new ATOM 1913 N VAL A 117 7.188 4.656 6.886 1.00 0.00 N ATOM 1914 CA VAL A 117 7.234 6.118 6.942 1.00 0.00 C ATOM 1915 C VAL A 117 8.462 6.681 6.214 1.00 0.00 C ATOM 1916 O VAL A 117 9.519 6.049 6.171 1.00 0.00 O ATOM 1917 CB VAL A 117 7.230 6.623 8.402 1.00 0.00 C ATOM 1918 CG1 VAL A 117 8.484 6.170 9.140 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.093 8.139 8.451 1.00 0.00 C ATOM 0 H VAL A 117 7.986 4.193 7.320 1.00 0.00 H new ATOM 0 HA VAL A 117 6.337 6.475 6.436 1.00 0.00 H new ATOM 0 HB VAL A 117 6.367 6.187 8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 117 8.456 6.539 10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.528 5.081 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.366 6.566 8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.093 8.471 9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.930 8.597 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.158 8.435 7.975 1.00 0.00 H new ATOM 1929 N ILE A 118 8.302 7.880 5.651 1.00 0.00 N ATOM 1930 CA ILE A 118 9.377 8.559 4.926 1.00 0.00 C ATOM 1931 C ILE A 118 9.455 10.030 5.342 1.00 0.00 C ATOM 1932 O ILE A 118 8.550 10.813 5.048 1.00 0.00 O ATOM 1933 CB ILE A 118 9.162 8.475 3.394 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.913 7.025 2.962 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.358 9.051 2.652 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.446 6.652 2.906 1.00 0.00 C ATOM 0 H ILE A 118 7.428 8.405 5.684 1.00 0.00 H new ATOM 0 HA ILE A 118 10.311 8.056 5.178 1.00 0.00 H new ATOM 0 HB ILE A 118 8.282 9.066 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.357 6.866 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.423 6.356 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.187 8.983 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.491 10.096 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.254 8.488 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.347 5.613 2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.001 6.778 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.934 7.296 2.192 1.00 0.00 H new ATOM 1948 N GLN A 119 10.529 10.402 6.041 1.00 0.00 N ATOM 1949 CA GLN A 119 10.702 11.780 6.506 1.00 0.00 C ATOM 1950 C GLN A 119 12.037 12.366 6.042 1.00 0.00 C ATOM 1951 O GLN A 119 13.101 11.911 6.462 1.00 0.00 O ATOM 1952 CB GLN A 119 10.613 11.835 8.034 1.00 0.00 C ATOM 1953 CG GLN A 119 10.739 13.237 8.609 1.00 0.00 C ATOM 1954 CD GLN A 119 10.422 13.291 10.093 1.00 0.00 C ATOM 1955 OE1 GLN A 119 9.350 12.868 10.524 1.00 0.00 O ATOM 1956 NE2 GLN A 119 11.355 13.813 10.882 1.00 0.00 N ATOM 0 H GLN A 119 11.289 9.772 6.297 1.00 0.00 H new ATOM 0 HA GLN A 119 9.902 12.380 6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 119 9.660 11.408 8.348 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.398 11.208 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.752 13.603 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.067 13.907 8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 119 12.230 14.152 10.482 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.196 13.875 11.888 1.00 0.00 H new ATOM 1965 N ILE A 120 11.969 13.388 5.186 1.00 0.00 N ATOM 1966 CA ILE A 120 13.171 14.048 4.676 1.00 0.00 C ATOM 1967 C ILE A 120 12.982 15.570 4.599 1.00 0.00 C ATOM 1968 O ILE A 120 13.148 16.176 3.540 1.00 0.00 O ATOM 1969 CB ILE A 120 13.568 13.507 3.283 1.00 0.00 C ATOM 1970 CG1 ILE A 120 13.614 11.977 3.298 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.914 14.076 2.854 1.00 0.00 C ATOM 1972 CD1 ILE A 120 12.307 11.331 2.901 1.00 0.00 C ATOM 0 H ILE A 120 11.094 13.776 4.832 1.00 0.00 H new ATOM 0 HA ILE A 120 13.974 13.826 5.379 1.00 0.00 H new ATOM 0 HB ILE A 120 12.815 13.823 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 120 14.398 11.638 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.888 11.639 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 120 15.178 13.685 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 120 14.851 15.163 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 120 15.678 13.788 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.412 10.247 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 120 11.523 11.640 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 120 12.041 11.639 1.890 1.00 0.00 H new ATOM 1984 N PRO A 121 12.632 16.208 5.731 1.00 0.00 N ATOM 1985 CA PRO A 121 12.427 17.659 5.791 1.00 0.00 C ATOM 1986 C PRO A 121 13.746 18.435 5.822 1.00 0.00 C ATOM 1987 O PRO A 121 14.822 17.852 5.666 1.00 0.00 O ATOM 1988 CB PRO A 121 11.668 17.843 7.105 1.00 0.00 C ATOM 1989 CG PRO A 121 12.146 16.726 7.968 1.00 0.00 C ATOM 1990 CD PRO A 121 12.410 15.567 7.044 1.00 0.00 C ATOM 0 HA PRO A 121 11.900 18.037 4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.882 18.812 7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.590 17.793 6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.051 17.009 8.506 1.00 0.00 H new ATOM 0 HG3 PRO A 121 11.398 16.465 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.280 14.992 7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.566 14.878 7.015 1.00 0.00 H new