USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 69 SER OG : rot 18:sc= -5.09! USER MOD Set 1.2: A 72 GLN :FLIP amide:sc= 0.0708 F(o=-6.5,f=-5) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -22.1! C(o=-22!,f=-26!) USER MOD Set 2.2: A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -171:sc=-0.00103 (180deg=-0.0012) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0974 F(o=-0.71,f=-0.097) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.0063) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.288 (180deg=-1.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.86! C(o=-1.9!,f=-4.8!) USER MOD Single : A 40 CYS SG : rot 54:sc= -0.25 USER MOD Single : A 42 THR OG1 : rot -132:sc= 1.55 USER MOD Single : A 47 TYR OH : rot -62:sc= -4.15! USER MOD Single : A 55 GLN : amide:sc= -2.65! C(o=-2.6!,f=-12!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.449 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -127:sc= -1.27 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.710 3.796 9.691 1.00 0.00 N ATOM 26 CA LYS A 2 -3.432 4.458 9.315 1.00 0.00 C ATOM 27 C LYS A 2 -2.472 3.432 8.719 1.00 0.00 C ATOM 28 O LYS A 2 -2.413 2.296 9.142 1.00 0.00 O ATOM 29 CB LYS A 2 -2.792 5.075 10.556 1.00 0.00 C ATOM 30 CG LYS A 2 -2.683 6.591 10.381 1.00 0.00 C ATOM 31 CD LYS A 2 -1.407 7.092 11.062 1.00 0.00 C ATOM 32 CE LYS A 2 -0.236 7.013 10.081 1.00 0.00 C ATOM 33 NZ LYS A 2 0.461 8.329 10.031 1.00 0.00 N ATOM 0 HA LYS A 2 -3.638 5.235 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.389 4.843 11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.803 4.646 10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.666 6.845 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.555 7.081 10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.543 8.119 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.195 6.491 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.459 6.233 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.597 6.743 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.157 8.324 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.235 9.084 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.948 8.498 10.934 1.00 0.00 H new ATOM 47 N ALA A 3 -1.712 3.835 7.744 1.00 0.00 N ATOM 48 CA ALA A 3 -0.737 2.905 7.112 1.00 0.00 C ATOM 49 C ALA A 3 0.633 3.583 7.040 1.00 0.00 C ATOM 50 O ALA A 3 0.739 4.793 7.045 1.00 0.00 O ATOM 51 CB ALA A 3 -1.208 2.549 5.700 1.00 0.00 C ATOM 0 H ALA A 3 -1.724 4.777 7.353 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.663 1.994 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.493 1.868 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.185 2.068 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.282 3.457 5.101 1.00 0.00 H new ATOM 57 N VAL A 4 1.684 2.812 6.978 1.00 0.00 N ATOM 58 CA VAL A 4 3.046 3.410 6.911 1.00 0.00 C ATOM 59 C VAL A 4 3.951 2.517 6.067 1.00 0.00 C ATOM 60 O VAL A 4 4.298 1.423 6.464 1.00 0.00 O ATOM 61 CB VAL A 4 3.624 3.514 8.323 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.049 4.072 8.256 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.744 4.444 9.162 1.00 0.00 C ATOM 0 H VAL A 4 1.657 1.792 6.971 1.00 0.00 H new ATOM 0 HA VAL A 4 2.985 4.402 6.463 1.00 0.00 H new ATOM 0 HB VAL A 4 3.649 2.525 8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.459 4.145 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.672 3.407 7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.031 5.061 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.153 4.521 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.719 5.433 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.732 4.042 9.211 1.00 0.00 H new ATOM 73 N ILE A 5 4.346 2.968 4.909 1.00 0.00 N ATOM 74 CA ILE A 5 5.235 2.124 4.067 1.00 0.00 C ATOM 75 C ILE A 5 6.680 2.572 4.249 1.00 0.00 C ATOM 76 O ILE A 5 7.146 3.491 3.605 1.00 0.00 O ATOM 77 CB ILE A 5 4.845 2.242 2.599 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.313 2.077 2.480 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.598 1.159 1.812 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.937 1.056 1.396 1.00 0.00 C ATOM 0 H ILE A 5 4.095 3.874 4.514 1.00 0.00 H new ATOM 0 HA ILE A 5 5.130 1.084 4.375 1.00 0.00 H new ATOM 0 HB ILE A 5 5.113 3.216 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.905 1.757 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.860 3.040 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.333 1.226 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.672 1.306 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.324 0.175 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.852 0.966 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.323 1.389 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.369 0.086 1.644 1.00 0.00 H new ATOM 92 N ASN A 6 7.391 1.924 5.122 1.00 0.00 N ATOM 93 CA ASN A 6 8.808 2.296 5.357 1.00 0.00 C ATOM 94 C ASN A 6 9.676 1.664 4.266 1.00 0.00 C ATOM 95 O ASN A 6 9.810 0.461 4.188 1.00 0.00 O ATOM 96 CB ASN A 6 9.230 1.776 6.730 1.00 0.00 C ATOM 97 CG ASN A 6 8.789 2.767 7.809 1.00 0.00 C ATOM 98 OD1 ASN A 6 9.015 4.042 7.639 1.00 0.00 O flip ATOM 99 ND2 ASN A 6 8.233 2.379 8.817 1.00 0.00 N flip ATOM 0 H ASN A 6 7.049 1.147 5.687 1.00 0.00 H new ATOM 0 HA ASN A 6 8.928 3.379 5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.783 0.799 6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.311 1.643 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.056 1.383 8.951 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.943 3.049 9.530 1.00 0.00 H new ATOM 106 N GLY A 7 10.255 2.467 3.415 1.00 0.00 N ATOM 107 CA GLY A 7 11.103 1.910 2.322 1.00 0.00 C ATOM 108 C GLY A 7 12.418 1.381 2.896 1.00 0.00 C ATOM 109 O GLY A 7 12.987 0.432 2.394 1.00 0.00 O ATOM 0 H GLY A 7 10.178 3.484 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.571 1.107 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.306 2.681 1.579 1.00 0.00 H new ATOM 113 N GLU A 8 12.909 1.987 3.941 1.00 0.00 N ATOM 114 CA GLU A 8 14.190 1.517 4.538 1.00 0.00 C ATOM 115 C GLU A 8 13.983 0.147 5.188 1.00 0.00 C ATOM 116 O GLU A 8 14.915 -0.613 5.364 1.00 0.00 O ATOM 117 CB GLU A 8 14.656 2.518 5.597 1.00 0.00 C ATOM 118 CG GLU A 8 15.611 3.529 4.959 1.00 0.00 C ATOM 119 CD GLU A 8 15.772 4.735 5.885 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.404 4.585 6.918 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.261 5.790 5.546 1.00 0.00 O ATOM 0 H GLU A 8 12.479 2.786 4.407 1.00 0.00 H new ATOM 0 HA GLU A 8 14.945 1.435 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.798 3.034 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.155 1.995 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.580 3.065 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.225 3.849 3.991 1.00 0.00 H new ATOM 128 N GLN A 9 12.772 -0.172 5.551 1.00 0.00 N ATOM 129 CA GLN A 9 12.508 -1.488 6.194 1.00 0.00 C ATOM 130 C GLN A 9 12.183 -2.531 5.123 1.00 0.00 C ATOM 131 O GLN A 9 12.727 -3.617 5.112 1.00 0.00 O ATOM 132 CB GLN A 9 11.320 -1.347 7.143 1.00 0.00 C ATOM 133 CG GLN A 9 11.625 -0.268 8.183 1.00 0.00 C ATOM 134 CD GLN A 9 11.882 -0.925 9.541 1.00 0.00 C ATOM 135 OE1 GLN A 9 10.993 -1.011 10.364 1.00 0.00 O ATOM 136 NE2 GLN A 9 13.070 -1.394 9.810 1.00 0.00 N ATOM 0 H GLN A 9 11.953 0.423 5.430 1.00 0.00 H new ATOM 0 HA GLN A 9 13.390 -1.808 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.422 -1.084 6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.121 -2.298 7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.496 0.311 7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.789 0.428 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.816 -1.321 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.253 -1.833 10.712 1.00 0.00 H new ATOM 145 N ILE A 10 11.290 -2.210 4.232 1.00 0.00 N ATOM 146 CA ILE A 10 10.911 -3.175 3.167 1.00 0.00 C ATOM 147 C ILE A 10 12.154 -3.868 2.618 1.00 0.00 C ATOM 148 O ILE A 10 13.072 -3.239 2.131 1.00 0.00 O ATOM 149 CB ILE A 10 10.198 -2.439 2.036 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.814 -2.021 2.519 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.054 -3.371 0.829 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.966 -3.268 2.748 1.00 0.00 C ATOM 0 H ILE A 10 10.803 -1.314 4.196 1.00 0.00 H new ATOM 0 HA ILE A 10 10.244 -3.925 3.593 1.00 0.00 H new ATOM 0 HB ILE A 10 10.774 -1.560 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.896 -1.447 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.339 -1.373 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.545 -2.845 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.042 -3.684 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.473 -4.248 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.975 -2.975 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.876 -3.823 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.441 -3.898 3.500 1.00 0.00 H new ATOM 164 N ARG A 11 12.183 -5.165 2.695 1.00 0.00 N ATOM 165 CA ARG A 11 13.351 -5.923 2.185 1.00 0.00 C ATOM 166 C ARG A 11 12.915 -6.805 1.013 1.00 0.00 C ATOM 167 O ARG A 11 13.657 -7.649 0.552 1.00 0.00 O ATOM 168 CB ARG A 11 13.896 -6.799 3.308 1.00 0.00 C ATOM 169 CG ARG A 11 14.818 -5.966 4.196 1.00 0.00 C ATOM 170 CD ARG A 11 16.231 -5.969 3.610 1.00 0.00 C ATOM 171 NE ARG A 11 16.824 -7.329 3.750 1.00 0.00 N ATOM 172 CZ ARG A 11 17.885 -7.652 3.062 1.00 0.00 C ATOM 173 NH1 ARG A 11 17.775 -7.964 1.799 1.00 0.00 N ATOM 174 NH2 ARG A 11 19.057 -7.665 3.637 1.00 0.00 N ATOM 0 H ARG A 11 11.439 -5.738 3.094 1.00 0.00 H new ATOM 0 HA ARG A 11 14.123 -5.232 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.075 -7.207 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.441 -7.646 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.445 -4.944 4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.831 -6.373 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.201 -5.680 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.851 -5.235 4.125 1.00 0.00 H new ATOM 0 HE ARG A 11 16.401 -8.007 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.859 -7.955 1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.605 -8.216 1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.144 -7.423 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.886 -7.917 3.099 1.00 0.00 H new ATOM 188 N SER A 12 11.717 -6.619 0.526 1.00 0.00 N ATOM 189 CA SER A 12 11.244 -7.454 -0.615 1.00 0.00 C ATOM 190 C SER A 12 9.778 -7.135 -0.925 1.00 0.00 C ATOM 191 O SER A 12 9.049 -6.623 -0.094 1.00 0.00 O ATOM 192 CB SER A 12 11.374 -8.932 -0.248 1.00 0.00 C ATOM 193 OG SER A 12 12.084 -9.611 -1.276 1.00 0.00 O ATOM 0 H SER A 12 11.049 -5.928 0.867 1.00 0.00 H new ATOM 0 HA SER A 12 11.851 -7.237 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.897 -9.038 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.386 -9.375 -0.119 1.00 0.00 H new ATOM 0 HG SER A 12 12.171 -10.559 -1.043 1.00 0.00 H new ATOM 199 N ILE A 13 9.339 -7.440 -2.116 1.00 0.00 N ATOM 200 CA ILE A 13 7.921 -7.164 -2.481 1.00 0.00 C ATOM 201 C ILE A 13 7.011 -7.741 -1.397 1.00 0.00 C ATOM 202 O ILE A 13 6.104 -7.085 -0.917 1.00 0.00 O ATOM 203 CB ILE A 13 7.606 -7.820 -3.827 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.239 -7.348 -4.330 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.581 -9.337 -3.654 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.122 -5.830 -4.168 1.00 0.00 C ATOM 0 H ILE A 13 9.901 -7.868 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 13 7.758 -6.089 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 13 8.372 -7.541 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.112 -7.622 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.445 -7.845 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.357 -9.809 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.554 -9.679 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.815 -9.608 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.147 -5.500 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.229 -5.567 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.906 -5.341 -4.745 1.00 0.00 H new ATOM 218 N SER A 14 7.256 -8.958 -0.991 1.00 0.00 N ATOM 219 CA SER A 14 6.418 -9.562 0.078 1.00 0.00 C ATOM 220 C SER A 14 6.389 -8.591 1.251 1.00 0.00 C ATOM 221 O SER A 14 5.366 -8.355 1.856 1.00 0.00 O ATOM 222 CB SER A 14 7.035 -10.884 0.526 1.00 0.00 C ATOM 223 OG SER A 14 6.156 -11.529 1.438 1.00 0.00 O ATOM 0 H SER A 14 7.998 -9.556 -1.354 1.00 0.00 H new ATOM 0 HA SER A 14 5.409 -9.751 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.216 -11.525 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.001 -10.706 0.999 1.00 0.00 H new ATOM 0 HG SER A 14 6.550 -12.379 1.726 1.00 0.00 H new ATOM 229 N ASP A 15 7.518 -8.021 1.562 1.00 0.00 N ATOM 230 CA ASP A 15 7.593 -7.048 2.678 1.00 0.00 C ATOM 231 C ASP A 15 6.653 -5.878 2.395 1.00 0.00 C ATOM 232 O ASP A 15 5.958 -5.398 3.266 1.00 0.00 O ATOM 233 CB ASP A 15 9.019 -6.513 2.780 1.00 0.00 C ATOM 234 CG ASP A 15 9.589 -6.828 4.164 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.845 -7.992 4.428 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.760 -5.900 4.938 1.00 0.00 O ATOM 0 H ASP A 15 8.402 -8.192 1.082 1.00 0.00 H new ATOM 0 HA ASP A 15 7.307 -7.539 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.643 -6.963 2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.027 -5.437 2.609 1.00 0.00 H new ATOM 241 N LEU A 16 6.637 -5.414 1.178 1.00 0.00 N ATOM 242 CA LEU A 16 5.754 -4.269 0.819 1.00 0.00 C ATOM 243 C LEU A 16 4.310 -4.642 1.134 1.00 0.00 C ATOM 244 O LEU A 16 3.626 -3.988 1.902 1.00 0.00 O ATOM 245 CB LEU A 16 5.892 -3.991 -0.680 1.00 0.00 C ATOM 246 CG LEU A 16 5.132 -2.717 -1.051 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.439 -1.617 -0.031 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.574 -2.258 -2.443 1.00 0.00 C ATOM 0 H LEU A 16 7.201 -5.780 0.411 1.00 0.00 H new ATOM 0 HA LEU A 16 6.036 -3.382 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.945 -3.885 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.504 -4.834 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 16 4.061 -2.918 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.896 -0.711 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.131 -1.945 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.509 -1.411 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.036 -1.350 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.645 -2.057 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.356 -3.040 -3.170 1.00 0.00 H new ATOM 260 N HIS A 17 3.855 -5.702 0.545 1.00 0.00 N ATOM 261 CA HIS A 17 2.471 -6.165 0.782 1.00 0.00 C ATOM 262 C HIS A 17 2.342 -6.620 2.235 1.00 0.00 C ATOM 263 O HIS A 17 1.257 -6.767 2.762 1.00 0.00 O ATOM 264 CB HIS A 17 2.205 -7.324 -0.172 1.00 0.00 C ATOM 265 CG HIS A 17 2.635 -6.914 -1.551 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.929 -5.985 -2.298 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.695 -7.298 -2.333 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.566 -5.842 -3.474 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.649 -6.620 -3.548 1.00 0.00 N ATOM 0 H HIS A 17 4.394 -6.277 -0.102 1.00 0.00 H new ATOM 0 HA HIS A 17 1.747 -5.369 0.606 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.752 -8.211 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.146 -7.584 -0.167 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.081 -5.498 -2.009 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.450 -8.016 -2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.241 -5.179 -4.262 1.00 0.00 H new ATOM 277 N GLN A 18 3.450 -6.833 2.888 1.00 0.00 N ATOM 278 CA GLN A 18 3.416 -7.266 4.302 1.00 0.00 C ATOM 279 C GLN A 18 2.980 -6.090 5.172 1.00 0.00 C ATOM 280 O GLN A 18 2.102 -6.212 6.001 1.00 0.00 O ATOM 281 CB GLN A 18 4.810 -7.727 4.730 1.00 0.00 C ATOM 282 CG GLN A 18 4.716 -8.464 6.067 1.00 0.00 C ATOM 283 CD GLN A 18 5.852 -8.006 6.984 1.00 0.00 C ATOM 284 OE1 GLN A 18 7.004 -8.021 6.597 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.574 -7.594 8.190 1.00 0.00 N ATOM 0 H GLN A 18 4.384 -6.723 2.494 1.00 0.00 H new ATOM 0 HA GLN A 18 2.713 -8.091 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.237 -8.382 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.476 -6.869 4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.753 -8.265 6.537 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.776 -9.540 5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.607 -7.582 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.324 -7.284 8.809 1.00 0.00 H new ATOM 294 N THR A 19 3.589 -4.949 4.989 1.00 0.00 N ATOM 295 CA THR A 19 3.210 -3.773 5.800 1.00 0.00 C ATOM 296 C THR A 19 1.837 -3.285 5.324 1.00 0.00 C ATOM 297 O THR A 19 1.022 -2.844 6.104 1.00 0.00 O ATOM 298 CB THR A 19 4.288 -2.675 5.658 1.00 0.00 C ATOM 299 OG1 THR A 19 4.866 -2.431 6.932 1.00 0.00 O ATOM 300 CG2 THR A 19 3.685 -1.364 5.140 1.00 0.00 C ATOM 0 H THR A 19 4.333 -4.788 4.310 1.00 0.00 H new ATOM 0 HA THR A 19 3.145 -4.032 6.857 1.00 0.00 H new ATOM 0 HB THR A 19 5.037 -3.021 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.553 -1.737 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.470 -0.613 5.051 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.232 -1.533 4.163 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.924 -1.013 5.837 1.00 0.00 H new ATOM 308 N LEU A 20 1.574 -3.372 4.046 1.00 0.00 N ATOM 309 CA LEU A 20 0.259 -2.932 3.532 1.00 0.00 C ATOM 310 C LEU A 20 -0.819 -3.841 4.116 1.00 0.00 C ATOM 311 O LEU A 20 -1.915 -3.429 4.405 1.00 0.00 O ATOM 312 CB LEU A 20 0.250 -3.062 2.011 1.00 0.00 C ATOM 313 CG LEU A 20 1.089 -1.948 1.386 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.950 -2.013 -0.133 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.596 -0.588 1.890 1.00 0.00 C ATOM 0 H LEU A 20 2.219 -3.730 3.341 1.00 0.00 H new ATOM 0 HA LEU A 20 0.072 -1.896 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.646 -4.034 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.773 -3.010 1.639 1.00 0.00 H new ATOM 0 HG LEU A 20 2.135 -2.074 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.546 -1.221 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.301 -2.981 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.097 -1.883 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.196 0.205 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.449 -0.454 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.690 -0.546 2.975 1.00 0.00 H new ATOM 327 N LYS A 21 -0.495 -5.086 4.276 1.00 0.00 N ATOM 328 CA LYS A 21 -1.468 -6.071 4.828 1.00 0.00 C ATOM 329 C LYS A 21 -1.619 -5.874 6.333 1.00 0.00 C ATOM 330 O LYS A 21 -2.685 -6.037 6.884 1.00 0.00 O ATOM 331 CB LYS A 21 -0.956 -7.483 4.562 1.00 0.00 C ATOM 332 CG LYS A 21 -1.857 -8.496 5.270 1.00 0.00 C ATOM 333 CD LYS A 21 -1.667 -9.877 4.641 1.00 0.00 C ATOM 334 CE LYS A 21 -0.182 -10.241 4.648 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.029 -11.699 4.918 1.00 0.00 N ATOM 0 H LYS A 21 0.419 -5.475 4.045 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.435 -5.923 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.942 -7.680 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.070 -7.582 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.616 -8.533 6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.900 -8.189 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.238 -10.622 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.048 -9.879 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.270 -9.989 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.342 -9.662 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.981 -11.947 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.446 -11.926 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.515 -12.242 4.176 1.00 0.00 H new ATOM 349 N LYS A 22 -0.556 -5.536 7.002 1.00 0.00 N ATOM 350 CA LYS A 22 -0.629 -5.330 8.467 1.00 0.00 C ATOM 351 C LYS A 22 -1.500 -4.113 8.752 1.00 0.00 C ATOM 352 O LYS A 22 -2.414 -4.149 9.552 1.00 0.00 O ATOM 353 CB LYS A 22 0.774 -5.062 8.996 1.00 0.00 C ATOM 354 CG LYS A 22 0.861 -5.483 10.465 1.00 0.00 C ATOM 355 CD LYS A 22 1.330 -6.937 10.554 1.00 0.00 C ATOM 356 CE LYS A 22 2.848 -6.995 10.381 1.00 0.00 C ATOM 357 NZ LYS A 22 3.498 -6.118 11.396 1.00 0.00 N ATOM 0 H LYS A 22 0.367 -5.393 6.591 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.050 -6.213 8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.507 -5.612 8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.015 -4.004 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.554 -4.833 11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.112 -5.374 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.046 -7.363 11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.843 -7.535 9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.199 -8.021 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.123 -6.672 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.477 -6.433 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.500 -5.135 11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.971 -6.173 12.291 1.00 0.00 H new ATOM 371 N GLU A 23 -1.209 -3.035 8.090 1.00 0.00 N ATOM 372 CA GLU A 23 -1.978 -1.793 8.277 1.00 0.00 C ATOM 373 C GLU A 23 -3.389 -2.008 7.748 1.00 0.00 C ATOM 374 O GLU A 23 -4.367 -1.899 8.461 1.00 0.00 O ATOM 375 CB GLU A 23 -1.286 -0.693 7.479 1.00 0.00 C ATOM 376 CG GLU A 23 0.023 -0.310 8.176 1.00 0.00 C ATOM 377 CD GLU A 23 -0.257 0.057 9.636 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.396 0.366 9.942 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.675 0.021 10.423 1.00 0.00 O ATOM 0 H GLU A 23 -0.450 -2.967 7.412 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.030 -1.515 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.084 -1.036 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.937 0.178 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.728 -1.140 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.487 0.532 7.662 1.00 0.00 H new ATOM 386 N LEU A 24 -3.485 -2.330 6.496 1.00 0.00 N ATOM 387 CA LEU A 24 -4.804 -2.581 5.874 1.00 0.00 C ATOM 388 C LEU A 24 -5.432 -3.816 6.520 1.00 0.00 C ATOM 389 O LEU A 24 -6.595 -4.108 6.324 1.00 0.00 O ATOM 390 CB LEU A 24 -4.590 -2.841 4.384 1.00 0.00 C ATOM 391 CG LEU A 24 -3.913 -1.627 3.747 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.045 -2.087 2.576 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.978 -0.653 3.242 1.00 0.00 C ATOM 0 H LEU A 24 -2.689 -2.432 5.866 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.462 -1.724 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.974 -3.729 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.546 -3.035 3.897 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.290 -1.127 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.561 -1.223 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.285 -2.780 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.669 -2.586 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.494 0.212 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.603 -1.150 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.597 -0.326 4.077 1.00 0.00 H new ATOM 405 N ALA A 25 -4.667 -4.550 7.284 1.00 0.00 N ATOM 406 CA ALA A 25 -5.215 -5.767 7.933 1.00 0.00 C ATOM 407 C ALA A 25 -5.920 -6.631 6.883 1.00 0.00 C ATOM 408 O ALA A 25 -7.074 -6.985 7.028 1.00 0.00 O ATOM 409 CB ALA A 25 -6.204 -5.345 9.013 1.00 0.00 C ATOM 0 H ALA A 25 -3.686 -4.356 7.484 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.410 -6.347 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.614 -6.231 9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.693 -4.730 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.013 -4.772 8.561 1.00 0.00 H new ATOM 415 N LEU A 26 -5.232 -6.973 5.825 1.00 0.00 N ATOM 416 CA LEU A 26 -5.858 -7.813 4.764 1.00 0.00 C ATOM 417 C LEU A 26 -6.015 -9.249 5.277 1.00 0.00 C ATOM 418 O LEU A 26 -5.380 -9.632 6.239 1.00 0.00 O ATOM 419 CB LEU A 26 -4.962 -7.799 3.523 1.00 0.00 C ATOM 420 CG LEU A 26 -4.612 -6.354 3.175 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.570 -6.332 2.062 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.872 -5.621 2.710 1.00 0.00 C ATOM 0 H LEU A 26 -4.263 -6.706 5.651 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.840 -7.417 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.053 -8.372 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.472 -8.274 2.685 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.208 -5.858 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.322 -5.299 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.671 -6.851 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.971 -6.829 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.622 -4.590 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.278 -6.118 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.615 -5.632 3.508 1.00 0.00 H new ATOM 434 N PRO A 27 -6.865 -10.000 4.621 1.00 0.00 N ATOM 435 CA PRO A 27 -7.131 -11.401 4.997 1.00 0.00 C ATOM 436 C PRO A 27 -5.842 -12.221 4.988 1.00 0.00 C ATOM 437 O PRO A 27 -4.756 -11.697 4.848 1.00 0.00 O ATOM 438 CB PRO A 27 -8.086 -11.920 3.920 1.00 0.00 C ATOM 439 CG PRO A 27 -8.483 -10.722 3.023 1.00 0.00 C ATOM 440 CD PRO A 27 -7.629 -9.520 3.453 1.00 0.00 C ATOM 0 HA PRO A 27 -7.547 -11.478 6.001 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.606 -12.699 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.970 -12.366 4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.313 -10.957 1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.544 -10.497 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.965 -9.199 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.252 -8.664 3.712 1.00 0.00 H new ATOM 448 N GLU A 28 -5.964 -13.513 5.126 1.00 0.00 N ATOM 449 CA GLU A 28 -4.760 -14.382 5.114 1.00 0.00 C ATOM 450 C GLU A 28 -4.382 -14.681 3.665 1.00 0.00 C ATOM 451 O GLU A 28 -3.251 -15.008 3.362 1.00 0.00 O ATOM 452 CB GLU A 28 -5.070 -15.691 5.840 1.00 0.00 C ATOM 453 CG GLU A 28 -5.401 -15.400 7.305 1.00 0.00 C ATOM 454 CD GLU A 28 -5.218 -16.673 8.134 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.984 -17.713 7.541 1.00 0.00 O ATOM 456 OE2 GLU A 28 -5.314 -16.585 9.347 1.00 0.00 O ATOM 0 H GLU A 28 -6.850 -14.003 5.247 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.934 -13.879 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.909 -16.195 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.216 -16.365 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.753 -14.610 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.426 -15.041 7.392 1.00 0.00 H new ATOM 463 N TYR A 29 -5.320 -14.563 2.762 1.00 0.00 N ATOM 464 CA TYR A 29 -5.006 -14.833 1.332 1.00 0.00 C ATOM 465 C TYR A 29 -4.749 -13.510 0.608 1.00 0.00 C ATOM 466 O TYR A 29 -4.862 -13.427 -0.598 1.00 0.00 O ATOM 467 CB TYR A 29 -6.166 -15.576 0.653 1.00 0.00 C ATOM 468 CG TYR A 29 -7.474 -15.259 1.339 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.958 -13.946 1.361 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.209 -16.285 1.947 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.177 -13.659 1.990 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.425 -15.998 2.577 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.909 -14.685 2.598 1.00 0.00 C ATOM 474 OH TYR A 29 -11.110 -14.402 3.217 1.00 0.00 O ATOM 0 H TYR A 29 -6.285 -14.293 2.953 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.116 -15.460 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.222 -15.292 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.984 -16.650 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.392 -13.154 0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.837 -17.299 1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.551 -12.646 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.990 -16.789 3.047 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.489 -15.226 3.587 1.00 0.00 H new ATOM 484 N TYR A 30 -4.401 -12.481 1.345 1.00 0.00 N ATOM 485 CA TYR A 30 -4.117 -11.146 0.721 1.00 0.00 C ATOM 486 C TYR A 30 -3.470 -11.352 -0.655 1.00 0.00 C ATOM 487 O TYR A 30 -2.286 -11.598 -0.768 1.00 0.00 O ATOM 488 CB TYR A 30 -3.168 -10.362 1.639 1.00 0.00 C ATOM 489 CG TYR A 30 -2.621 -9.140 0.930 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.286 -8.605 -0.179 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.439 -8.543 1.391 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.769 -7.476 -0.827 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.921 -7.411 0.743 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.587 -6.879 -0.367 1.00 0.00 C ATOM 495 OH TYR A 30 -1.081 -5.767 -1.008 1.00 0.00 O ATOM 0 H TYR A 30 -4.301 -12.508 2.360 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.044 -10.587 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.697 -10.058 2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.345 -11.004 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.197 -9.062 -0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.926 -8.955 2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.282 -7.064 -1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.011 -6.952 1.100 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.409 -5.338 -0.438 1.00 0.00 H new ATOM 505 N GLY A 31 -4.257 -11.270 -1.697 1.00 0.00 N ATOM 506 CA GLY A 31 -3.727 -11.476 -3.079 1.00 0.00 C ATOM 507 C GLY A 31 -2.328 -10.873 -3.220 1.00 0.00 C ATOM 508 O GLY A 31 -1.422 -11.533 -3.676 1.00 0.00 O ATOM 0 H GLY A 31 -5.255 -11.067 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.693 -12.542 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.400 -11.018 -3.804 1.00 0.00 H new ATOM 512 N GLU A 32 -2.163 -9.626 -2.835 1.00 0.00 N ATOM 513 CA GLU A 32 -0.828 -8.941 -2.934 1.00 0.00 C ATOM 514 C GLU A 32 -0.689 -8.229 -4.283 1.00 0.00 C ATOM 515 O GLU A 32 0.088 -7.306 -4.425 1.00 0.00 O ATOM 516 CB GLU A 32 0.320 -9.945 -2.778 1.00 0.00 C ATOM 517 CG GLU A 32 1.650 -9.196 -2.792 1.00 0.00 C ATOM 518 CD GLU A 32 2.617 -9.889 -3.755 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.299 -10.979 -4.200 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.658 -9.317 -4.031 1.00 0.00 O ATOM 0 H GLU A 32 -2.908 -9.045 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.773 -8.210 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.211 -10.498 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.292 -10.675 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.494 -8.162 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.075 -9.170 -1.789 1.00 0.00 H new ATOM 527 N ASN A 33 -1.424 -8.644 -5.276 1.00 0.00 N ATOM 528 CA ASN A 33 -1.307 -7.975 -6.605 1.00 0.00 C ATOM 529 C ASN A 33 -2.120 -6.678 -6.610 1.00 0.00 C ATOM 530 O ASN A 33 -2.693 -6.288 -5.615 1.00 0.00 O ATOM 531 CB ASN A 33 -1.812 -8.904 -7.719 1.00 0.00 C ATOM 532 CG ASN A 33 -3.026 -9.709 -7.244 1.00 0.00 C ATOM 533 OD1 ASN A 33 -4.152 -9.348 -7.518 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.846 -10.801 -6.553 1.00 0.00 N ATOM 0 H ASN A 33 -2.095 -9.410 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.257 -7.745 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.080 -8.315 -8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.015 -9.583 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.650 -11.348 -6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.901 -11.108 -6.321 1.00 0.00 H new ATOM 541 N LEU A 34 -2.172 -6.007 -7.728 1.00 0.00 N ATOM 542 CA LEU A 34 -2.948 -4.735 -7.813 1.00 0.00 C ATOM 543 C LEU A 34 -4.437 -5.054 -7.750 1.00 0.00 C ATOM 544 O LEU A 34 -5.216 -4.371 -7.127 1.00 0.00 O ATOM 545 CB LEU A 34 -2.664 -4.073 -9.154 1.00 0.00 C ATOM 546 CG LEU A 34 -1.175 -3.749 -9.273 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.863 -3.309 -10.704 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.820 -2.620 -8.304 1.00 0.00 C ATOM 0 H LEU A 34 -1.708 -6.286 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.664 -4.077 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.967 -4.734 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.252 -3.160 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.589 -4.635 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.199 -3.078 -10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.117 -4.113 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.448 -2.423 -10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.242 -2.389 -8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.405 -1.733 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.043 -2.932 -7.284 1.00 0.00 H new ATOM 560 N ASP A 35 -4.820 -6.085 -8.427 1.00 0.00 N ATOM 561 CA ASP A 35 -6.246 -6.503 -8.469 1.00 0.00 C ATOM 562 C ASP A 35 -6.736 -6.885 -7.075 1.00 0.00 C ATOM 563 O ASP A 35 -7.870 -6.638 -6.714 1.00 0.00 O ATOM 564 CB ASP A 35 -6.347 -7.733 -9.355 1.00 0.00 C ATOM 565 CG ASP A 35 -6.118 -7.340 -10.816 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.600 -6.291 -11.209 1.00 0.00 O ATOM 567 OD2 ASP A 35 -5.465 -8.096 -11.517 1.00 0.00 O ATOM 0 H ASP A 35 -4.191 -6.676 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.851 -5.679 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.609 -8.475 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.328 -8.194 -9.242 1.00 0.00 H new ATOM 572 N ALA A 36 -5.898 -7.504 -6.296 1.00 0.00 N ATOM 573 CA ALA A 36 -6.324 -7.922 -4.930 1.00 0.00 C ATOM 574 C ALA A 36 -6.229 -6.731 -4.002 1.00 0.00 C ATOM 575 O ALA A 36 -7.196 -6.313 -3.402 1.00 0.00 O ATOM 576 CB ALA A 36 -5.410 -9.024 -4.411 1.00 0.00 C ATOM 0 H ALA A 36 -4.937 -7.740 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.348 -8.293 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.730 -9.322 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.460 -9.883 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.385 -8.657 -4.369 1.00 0.00 H new ATOM 582 N LEU A 37 -5.061 -6.177 -3.901 1.00 0.00 N ATOM 583 CA LEU A 37 -4.865 -4.987 -3.034 1.00 0.00 C ATOM 584 C LEU A 37 -6.038 -4.045 -3.277 1.00 0.00 C ATOM 585 O LEU A 37 -6.718 -3.595 -2.370 1.00 0.00 O ATOM 586 CB LEU A 37 -3.560 -4.303 -3.445 1.00 0.00 C ATOM 587 CG LEU A 37 -3.556 -2.854 -2.953 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.464 -2.831 -1.426 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.355 -2.116 -3.549 1.00 0.00 C ATOM 0 H LEU A 37 -4.224 -6.499 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.814 -5.262 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.709 -4.841 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.451 -4.329 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.477 -2.362 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.461 -1.798 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.321 -3.355 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.544 -3.323 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.352 -1.084 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.434 -2.608 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.423 -2.130 -4.637 1.00 0.00 H new ATOM 601 N TRP A 38 -6.273 -3.766 -4.518 1.00 0.00 N ATOM 602 CA TRP A 38 -7.388 -2.886 -4.895 1.00 0.00 C ATOM 603 C TRP A 38 -8.673 -3.490 -4.382 1.00 0.00 C ATOM 604 O TRP A 38 -9.421 -2.883 -3.648 1.00 0.00 O ATOM 605 CB TRP A 38 -7.471 -2.807 -6.414 1.00 0.00 C ATOM 606 CG TRP A 38 -8.614 -1.934 -6.778 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.877 -2.355 -6.938 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.621 -0.508 -7.001 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.673 -1.269 -7.265 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.935 -0.101 -7.313 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.618 0.457 -6.965 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.236 1.235 -7.581 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.902 1.790 -7.225 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.212 2.190 -7.534 1.00 0.00 C ATOM 0 H TRP A 38 -5.725 -4.121 -5.301 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.234 -1.892 -4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.543 -2.407 -6.824 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.604 -3.802 -6.838 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.218 -3.374 -6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.675 -1.324 -7.447 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.605 0.164 -6.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.247 1.529 -7.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.111 2.524 -7.189 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.429 3.229 -7.734 1.00 0.00 H new ATOM 625 N ASP A 39 -8.923 -4.699 -4.767 1.00 0.00 N ATOM 626 CA ASP A 39 -10.154 -5.382 -4.313 1.00 0.00 C ATOM 627 C ASP A 39 -10.320 -5.135 -2.816 1.00 0.00 C ATOM 628 O ASP A 39 -11.413 -5.160 -2.286 1.00 0.00 O ATOM 629 CB ASP A 39 -10.036 -6.881 -4.579 1.00 0.00 C ATOM 630 CG ASP A 39 -10.767 -7.230 -5.877 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.967 -7.443 -5.818 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.115 -7.279 -6.907 1.00 0.00 O ATOM 0 H ASP A 39 -8.323 -5.249 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.019 -4.995 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.987 -7.166 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.461 -7.443 -3.748 1.00 0.00 H new ATOM 637 N CYS A 40 -9.235 -4.887 -2.132 1.00 0.00 N ATOM 638 CA CYS A 40 -9.320 -4.629 -0.675 1.00 0.00 C ATOM 639 C CYS A 40 -9.746 -3.178 -0.435 1.00 0.00 C ATOM 640 O CYS A 40 -10.681 -2.910 0.293 1.00 0.00 O ATOM 641 CB CYS A 40 -7.951 -4.873 -0.043 1.00 0.00 C ATOM 642 SG CYS A 40 -7.393 -6.549 -0.438 1.00 0.00 S ATOM 0 H CYS A 40 -8.294 -4.853 -2.525 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.055 -5.297 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.232 -4.142 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.009 -4.743 1.038 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.425 -6.725 -1.726 1.00 0.00 H new ATOM 648 N LEU A 41 -9.069 -2.233 -1.035 1.00 0.00 N ATOM 649 CA LEU A 41 -9.437 -0.814 -0.825 1.00 0.00 C ATOM 650 C LEU A 41 -10.893 -0.578 -1.240 1.00 0.00 C ATOM 651 O LEU A 41 -11.690 -0.057 -0.486 1.00 0.00 O ATOM 652 CB LEU A 41 -8.524 0.066 -1.675 1.00 0.00 C ATOM 653 CG LEU A 41 -7.071 -0.395 -1.540 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.173 0.565 -2.304 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.665 -0.409 -0.064 1.00 0.00 C ATOM 0 H LEU A 41 -8.278 -2.389 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.324 -0.566 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.832 0.020 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.614 1.106 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.969 -1.401 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.136 0.243 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.459 0.572 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.279 1.569 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.630 -0.738 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.764 0.594 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.312 -1.093 0.485 1.00 0.00 H new ATOM 667 N THR A 42 -11.233 -0.935 -2.446 1.00 0.00 N ATOM 668 CA THR A 42 -12.614 -0.716 -2.941 1.00 0.00 C ATOM 669 C THR A 42 -13.620 -1.560 -2.152 1.00 0.00 C ATOM 670 O THR A 42 -14.815 -1.384 -2.287 1.00 0.00 O ATOM 671 CB THR A 42 -12.683 -1.096 -4.421 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.958 -2.299 -4.635 1.00 0.00 O ATOM 673 CG2 THR A 42 -12.074 0.027 -5.263 1.00 0.00 C ATOM 0 H THR A 42 -10.602 -1.375 -3.116 1.00 0.00 H new ATOM 0 HA THR A 42 -12.869 0.336 -2.809 1.00 0.00 H new ATOM 0 HB THR A 42 -13.723 -1.244 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.364 -2.190 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.122 -0.242 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.632 0.949 -5.098 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.034 0.175 -4.974 1.00 0.00 H new ATOM 681 N GLY A 43 -13.170 -2.477 -1.336 1.00 0.00 N ATOM 682 CA GLY A 43 -14.155 -3.302 -0.575 1.00 0.00 C ATOM 683 C GLY A 43 -13.469 -4.136 0.513 1.00 0.00 C ATOM 684 O GLY A 43 -13.469 -5.350 0.463 1.00 0.00 O ATOM 0 H GLY A 43 -12.187 -2.688 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.901 -2.651 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.685 -3.963 -1.261 1.00 0.00 H new ATOM 688 N TRP A 44 -12.907 -3.505 1.509 1.00 0.00 N ATOM 689 CA TRP A 44 -12.253 -4.275 2.601 1.00 0.00 C ATOM 690 C TRP A 44 -11.625 -3.311 3.607 1.00 0.00 C ATOM 691 O TRP A 44 -12.051 -3.213 4.741 1.00 0.00 O ATOM 692 CB TRP A 44 -11.168 -5.175 2.018 1.00 0.00 C ATOM 693 CG TRP A 44 -10.544 -5.964 3.122 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.452 -5.582 3.822 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.955 -7.251 3.671 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.162 -6.554 4.763 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.061 -7.602 4.710 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.003 -8.138 3.370 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.202 -8.791 5.426 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.149 -9.336 4.089 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.249 -9.662 5.114 1.00 0.00 C ATOM 0 H TRP A 44 -12.874 -2.491 1.612 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.002 -4.888 3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.596 -5.845 1.272 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.413 -4.574 1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.897 -4.668 3.671 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.380 -6.503 5.416 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.700 -7.897 2.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.507 -9.036 6.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.959 -10.010 3.851 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.365 -10.586 5.662 1.00 0.00 H new ATOM 712 N VAL A 45 -10.610 -2.605 3.202 1.00 0.00 N ATOM 713 CA VAL A 45 -9.941 -1.653 4.124 1.00 0.00 C ATOM 714 C VAL A 45 -10.964 -0.659 4.677 1.00 0.00 C ATOM 715 O VAL A 45 -11.989 -0.408 4.075 1.00 0.00 O ATOM 716 CB VAL A 45 -8.854 -0.895 3.364 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.033 -0.059 4.347 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.939 -1.897 2.653 1.00 0.00 C ATOM 0 H VAL A 45 -10.213 -2.648 2.264 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.495 -2.205 4.952 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.315 -0.237 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.257 0.482 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.686 0.652 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.570 -0.715 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.162 -1.359 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.477 -2.554 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.525 -2.492 1.953 1.00 0.00 H new ATOM 728 N GLU A 46 -10.690 -0.085 5.818 1.00 0.00 N ATOM 729 CA GLU A 46 -11.643 0.898 6.404 1.00 0.00 C ATOM 730 C GLU A 46 -11.091 2.310 6.216 1.00 0.00 C ATOM 731 O GLU A 46 -9.946 2.585 6.514 1.00 0.00 O ATOM 732 CB GLU A 46 -11.828 0.616 7.894 1.00 0.00 C ATOM 733 CG GLU A 46 -12.504 -0.743 8.078 1.00 0.00 C ATOM 734 CD GLU A 46 -13.917 -0.541 8.629 1.00 0.00 C ATOM 735 OE1 GLU A 46 -14.518 0.471 8.307 1.00 0.00 O ATOM 736 OE2 GLU A 46 -14.374 -1.401 9.363 1.00 0.00 O ATOM 0 H GLU A 46 -9.848 -0.255 6.368 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.606 0.811 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.862 0.624 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.433 1.399 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.546 -1.272 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.921 -1.361 8.761 1.00 0.00 H new ATOM 743 N TYR A 47 -11.899 3.203 5.721 1.00 0.00 N ATOM 744 CA TYR A 47 -11.436 4.603 5.499 1.00 0.00 C ATOM 745 C TYR A 47 -12.244 5.543 6.407 1.00 0.00 C ATOM 746 O TYR A 47 -13.225 5.122 6.987 1.00 0.00 O ATOM 747 CB TYR A 47 -11.653 4.950 4.020 1.00 0.00 C ATOM 748 CG TYR A 47 -10.690 4.155 3.156 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.581 3.512 3.727 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.910 4.056 1.779 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.703 2.781 2.923 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.033 3.318 0.980 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.929 2.682 1.552 1.00 0.00 C ATOM 754 OH TYR A 47 -8.067 1.950 0.764 1.00 0.00 O ATOM 0 H TYR A 47 -12.868 3.024 5.458 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.379 4.712 5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.681 4.729 3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.501 6.018 3.862 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.406 3.582 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.759 4.551 1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.848 2.292 3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.209 3.239 -0.083 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.172 2.346 0.803 1.00 0.00 H new ATOM 764 N PRO A 48 -11.817 6.785 6.531 1.00 0.00 N ATOM 765 CA PRO A 48 -10.625 7.337 5.841 1.00 0.00 C ATOM 766 C PRO A 48 -9.342 6.608 6.242 1.00 0.00 C ATOM 767 O PRO A 48 -9.114 6.306 7.397 1.00 0.00 O ATOM 768 CB PRO A 48 -10.554 8.803 6.293 1.00 0.00 C ATOM 769 CG PRO A 48 -11.732 9.057 7.265 1.00 0.00 C ATOM 770 CD PRO A 48 -12.523 7.747 7.396 1.00 0.00 C ATOM 0 HA PRO A 48 -10.712 7.225 4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.603 9.005 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.617 9.471 5.434 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.362 9.379 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.373 9.854 6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.548 7.403 8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.558 7.878 7.078 1.00 0.00 H new ATOM 778 N LEU A 49 -8.499 6.332 5.283 1.00 0.00 N ATOM 779 CA LEU A 49 -7.219 5.631 5.579 1.00 0.00 C ATOM 780 C LEU A 49 -6.062 6.583 5.299 1.00 0.00 C ATOM 781 O LEU A 49 -6.149 7.441 4.450 1.00 0.00 O ATOM 782 CB LEU A 49 -7.091 4.404 4.657 1.00 0.00 C ATOM 783 CG LEU A 49 -5.614 4.057 4.400 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.978 3.508 5.680 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.520 3.011 3.286 1.00 0.00 C ATOM 0 H LEU A 49 -8.645 6.564 4.301 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.200 5.314 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.595 3.550 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.591 4.603 3.709 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.081 4.958 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.932 3.264 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.039 4.259 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.509 2.609 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.474 2.766 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.057 2.111 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.963 3.411 2.373 1.00 0.00 H new ATOM 797 N VAL A 50 -4.963 6.402 5.963 1.00 0.00 N ATOM 798 CA VAL A 50 -3.792 7.264 5.678 1.00 0.00 C ATOM 799 C VAL A 50 -2.703 6.364 5.090 1.00 0.00 C ATOM 800 O VAL A 50 -2.436 5.295 5.594 1.00 0.00 O ATOM 801 CB VAL A 50 -3.298 7.950 6.975 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.835 7.591 7.270 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.399 9.466 6.816 1.00 0.00 C ATOM 0 H VAL A 50 -4.824 5.698 6.688 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.054 8.055 4.975 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.922 7.603 7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.516 8.087 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.742 6.512 7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.206 7.919 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.052 9.951 7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.781 9.786 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.436 9.744 6.629 1.00 0.00 H new ATOM 813 N LEU A 51 -2.048 6.788 4.059 1.00 0.00 N ATOM 814 CA LEU A 51 -0.962 5.947 3.505 1.00 0.00 C ATOM 815 C LEU A 51 0.329 6.734 3.632 1.00 0.00 C ATOM 816 O LEU A 51 0.773 7.380 2.703 1.00 0.00 O ATOM 817 CB LEU A 51 -1.210 5.584 2.036 1.00 0.00 C ATOM 818 CG LEU A 51 -0.078 4.666 1.563 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.182 3.325 2.282 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.187 4.415 0.062 1.00 0.00 C ATOM 0 H LEU A 51 -2.213 7.672 3.577 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.913 5.009 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.173 5.085 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.247 6.485 1.424 1.00 0.00 H new ATOM 0 HG LEU A 51 0.874 5.148 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.622 2.670 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.099 3.481 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.144 2.864 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.625 3.761 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.143 3.941 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.120 5.363 -0.471 1.00 0.00 H new ATOM 832 N GLU A 52 0.925 6.692 4.788 1.00 0.00 N ATOM 833 CA GLU A 52 2.185 7.438 4.998 1.00 0.00 C ATOM 834 C GLU A 52 3.312 6.639 4.359 1.00 0.00 C ATOM 835 O GLU A 52 4.031 5.905 5.010 1.00 0.00 O ATOM 836 CB GLU A 52 2.427 7.605 6.499 1.00 0.00 C ATOM 837 CG GLU A 52 3.838 8.146 6.735 1.00 0.00 C ATOM 838 CD GLU A 52 3.754 9.498 7.447 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.814 9.691 8.200 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.630 10.317 7.226 1.00 0.00 O ATOM 0 H GLU A 52 0.589 6.170 5.597 1.00 0.00 H new ATOM 0 HA GLU A 52 2.135 8.429 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.690 8.287 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.304 6.648 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.413 7.442 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.361 8.255 5.785 1.00 0.00 H new ATOM 847 N TRP A 53 3.447 6.762 3.070 1.00 0.00 N ATOM 848 CA TRP A 53 4.498 6.007 2.355 1.00 0.00 C ATOM 849 C TRP A 53 5.850 6.693 2.552 1.00 0.00 C ATOM 850 O TRP A 53 6.156 7.680 1.914 1.00 0.00 O ATOM 851 CB TRP A 53 4.158 5.951 0.867 1.00 0.00 C ATOM 852 CG TRP A 53 4.794 4.736 0.292 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.100 4.421 0.437 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.194 3.665 -0.497 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.344 3.228 -0.206 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.205 2.725 -0.798 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.889 3.415 -0.980 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.944 1.584 -1.540 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.625 2.256 -1.739 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.653 1.345 -2.016 1.00 0.00 C ATOM 0 H TRP A 53 2.867 7.359 2.480 1.00 0.00 H new ATOM 0 HA TRP A 53 4.552 4.993 2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.078 5.919 0.725 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.520 6.846 0.360 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.833 5.009 0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.256 2.772 -0.240 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.093 4.113 -0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.737 0.881 -1.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.627 2.070 -2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.447 0.458 -2.597 1.00 0.00 H new ATOM 871 N ARG A 54 6.661 6.175 3.432 1.00 0.00 N ATOM 872 CA ARG A 54 7.994 6.794 3.671 1.00 0.00 C ATOM 873 C ARG A 54 9.016 6.170 2.719 1.00 0.00 C ATOM 874 O ARG A 54 9.055 4.969 2.538 1.00 0.00 O ATOM 875 CB ARG A 54 8.422 6.537 5.118 1.00 0.00 C ATOM 876 CG ARG A 54 8.446 7.858 5.888 1.00 0.00 C ATOM 877 CD ARG A 54 8.130 7.595 7.362 1.00 0.00 C ATOM 878 NE ARG A 54 8.164 8.880 8.114 1.00 0.00 N ATOM 879 CZ ARG A 54 7.641 8.952 9.308 1.00 0.00 C ATOM 880 NH1 ARG A 54 7.609 7.893 10.071 1.00 0.00 N ATOM 881 NH2 ARG A 54 7.151 10.082 9.740 1.00 0.00 N ATOM 0 H ARG A 54 6.458 5.350 3.996 1.00 0.00 H new ATOM 0 HA ARG A 54 7.937 7.868 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.732 5.840 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.409 6.074 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.425 8.329 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.717 8.550 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.148 7.131 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.854 6.897 7.781 1.00 0.00 H new ATOM 0 HE ARG A 54 8.596 9.704 7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.993 7.010 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.201 7.949 11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.176 10.910 9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.743 10.137 10.673 1.00 0.00 H new ATOM 895 N GLN A 55 9.840 6.973 2.105 1.00 0.00 N ATOM 896 CA GLN A 55 10.852 6.417 1.164 1.00 0.00 C ATOM 897 C GLN A 55 10.148 5.543 0.124 1.00 0.00 C ATOM 898 O GLN A 55 9.995 4.351 0.302 1.00 0.00 O ATOM 899 CB GLN A 55 11.860 5.571 1.945 1.00 0.00 C ATOM 900 CG GLN A 55 13.121 6.394 2.212 1.00 0.00 C ATOM 901 CD GLN A 55 12.817 7.472 3.254 1.00 0.00 C ATOM 902 OE1 GLN A 55 11.685 7.890 3.400 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.786 7.943 3.990 1.00 0.00 N ATOM 0 H GLN A 55 9.857 7.987 2.214 1.00 0.00 H new ATOM 0 HA GLN A 55 11.374 7.232 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.422 5.242 2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.112 4.673 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.922 5.746 2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.470 6.855 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.736 7.592 3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.593 8.662 4.688 1.00 0.00 H new ATOM 912 N PHE A 56 9.712 6.125 -0.961 1.00 0.00 N ATOM 913 CA PHE A 56 9.014 5.324 -2.006 1.00 0.00 C ATOM 914 C PHE A 56 10.039 4.752 -2.989 1.00 0.00 C ATOM 915 O PHE A 56 10.108 3.557 -3.198 1.00 0.00 O ATOM 916 CB PHE A 56 8.025 6.215 -2.759 1.00 0.00 C ATOM 917 CG PHE A 56 7.005 5.350 -3.460 1.00 0.00 C ATOM 918 CD1 PHE A 56 7.308 4.780 -4.702 1.00 0.00 C ATOM 919 CD2 PHE A 56 5.757 5.117 -2.869 1.00 0.00 C ATOM 920 CE1 PHE A 56 6.364 3.978 -5.354 1.00 0.00 C ATOM 921 CE2 PHE A 56 4.813 4.315 -3.522 1.00 0.00 C ATOM 922 CZ PHE A 56 5.117 3.746 -4.764 1.00 0.00 C ATOM 0 H PHE A 56 9.809 7.119 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 56 8.475 4.505 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.528 6.893 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.554 6.833 -3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.271 4.959 -5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.523 5.556 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.598 3.538 -6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.850 4.135 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.389 3.128 -5.267 1.00 0.00 H new ATOM 932 N GLU A 57 10.839 5.589 -3.594 1.00 0.00 N ATOM 933 CA GLU A 57 11.856 5.075 -4.555 1.00 0.00 C ATOM 934 C GLU A 57 12.709 4.022 -3.855 1.00 0.00 C ATOM 935 O GLU A 57 13.068 3.012 -4.427 1.00 0.00 O ATOM 936 CB GLU A 57 12.752 6.219 -5.021 1.00 0.00 C ATOM 937 CG GLU A 57 13.295 6.971 -3.804 1.00 0.00 C ATOM 938 CD GLU A 57 13.373 8.466 -4.118 1.00 0.00 C ATOM 939 OE1 GLU A 57 12.355 9.129 -4.009 1.00 0.00 O ATOM 940 OE2 GLU A 57 14.451 8.924 -4.463 1.00 0.00 O ATOM 0 H GLU A 57 10.832 6.601 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 57 11.354 4.638 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.576 5.829 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.189 6.899 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.649 6.803 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.283 6.592 -3.541 1.00 0.00 H new ATOM 947 N GLN A 58 13.026 4.250 -2.612 1.00 0.00 N ATOM 948 CA GLN A 58 13.834 3.275 -1.855 1.00 0.00 C ATOM 949 C GLN A 58 12.996 2.017 -1.666 1.00 0.00 C ATOM 950 O GLN A 58 13.500 0.915 -1.653 1.00 0.00 O ATOM 951 CB GLN A 58 14.193 3.870 -0.493 1.00 0.00 C ATOM 952 CG GLN A 58 14.961 5.178 -0.693 1.00 0.00 C ATOM 953 CD GLN A 58 16.464 4.911 -0.591 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.999 4.785 0.492 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.172 4.820 -1.683 1.00 0.00 N ATOM 0 H GLN A 58 12.753 5.082 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 58 14.753 3.036 -2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.288 4.053 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.798 3.164 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.723 5.606 -1.667 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.659 5.907 0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.723 4.926 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.175 4.643 -1.627 1.00 0.00 H new ATOM 964 N SER A 59 11.706 2.186 -1.539 1.00 0.00 N ATOM 965 CA SER A 59 10.807 1.014 -1.371 1.00 0.00 C ATOM 966 C SER A 59 10.350 0.536 -2.756 1.00 0.00 C ATOM 967 O SER A 59 9.540 -0.360 -2.881 1.00 0.00 O ATOM 968 CB SER A 59 9.587 1.419 -0.543 1.00 0.00 C ATOM 969 OG SER A 59 9.104 0.286 0.166 1.00 0.00 O ATOM 0 H SER A 59 11.237 3.092 -1.545 1.00 0.00 H new ATOM 0 HA SER A 59 11.338 0.212 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.854 2.213 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.807 1.815 -1.193 1.00 0.00 H new ATOM 0 HG SER A 59 8.323 0.542 0.699 1.00 0.00 H new ATOM 975 N LYS A 60 10.868 1.137 -3.797 1.00 0.00 N ATOM 976 CA LYS A 60 10.476 0.735 -5.177 1.00 0.00 C ATOM 977 C LYS A 60 11.512 -0.246 -5.752 1.00 0.00 C ATOM 978 O LYS A 60 11.173 -1.212 -6.405 1.00 0.00 O ATOM 979 CB LYS A 60 10.401 2.001 -6.048 1.00 0.00 C ATOM 980 CG LYS A 60 10.574 1.653 -7.532 1.00 0.00 C ATOM 981 CD LYS A 60 9.958 2.763 -8.388 1.00 0.00 C ATOM 982 CE LYS A 60 10.723 2.876 -9.708 1.00 0.00 C ATOM 983 NZ LYS A 60 9.774 2.724 -10.847 1.00 0.00 N ATOM 0 H LYS A 60 11.550 1.894 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 60 9.506 0.238 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.442 2.496 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.175 2.705 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.632 1.539 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.094 0.700 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.908 2.546 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.994 3.712 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.227 3.841 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.496 2.109 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.294 2.801 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.313 1.794 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.052 3.471 -10.800 1.00 0.00 H new ATOM 1083 N ALA A 67 7.012 -0.543 -5.855 1.00 0.00 N ATOM 1084 CA ALA A 67 5.677 -0.328 -5.253 1.00 0.00 C ATOM 1085 C ALA A 67 4.870 0.676 -6.078 1.00 0.00 C ATOM 1086 O ALA A 67 3.669 0.777 -5.937 1.00 0.00 O ATOM 1087 CB ALA A 67 5.898 0.236 -3.865 1.00 0.00 C ATOM 0 HA ALA A 67 5.124 -1.267 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.935 0.409 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.476 -0.473 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.442 1.178 -3.937 1.00 0.00 H new ATOM 1093 N GLU A 68 5.530 1.428 -6.915 1.00 0.00 N ATOM 1094 CA GLU A 68 4.831 2.448 -7.751 1.00 0.00 C ATOM 1095 C GLU A 68 3.437 1.951 -8.147 1.00 0.00 C ATOM 1096 O GLU A 68 2.512 2.724 -8.296 1.00 0.00 O ATOM 1097 CB GLU A 68 5.655 2.696 -9.012 1.00 0.00 C ATOM 1098 CG GLU A 68 6.096 4.155 -9.040 1.00 0.00 C ATOM 1099 CD GLU A 68 5.738 4.776 -10.391 1.00 0.00 C ATOM 1100 OE1 GLU A 68 4.570 5.057 -10.601 1.00 0.00 O ATOM 1101 OE2 GLU A 68 6.639 4.961 -11.193 1.00 0.00 O ATOM 0 H GLU A 68 6.539 1.379 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 68 4.724 3.370 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.525 2.040 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.065 2.464 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.611 4.707 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.171 4.223 -8.871 1.00 0.00 H new ATOM 1108 N SER A 69 3.280 0.668 -8.319 1.00 0.00 N ATOM 1109 CA SER A 69 1.946 0.123 -8.705 1.00 0.00 C ATOM 1110 C SER A 69 1.007 0.146 -7.493 1.00 0.00 C ATOM 1111 O SER A 69 -0.099 0.650 -7.561 1.00 0.00 O ATOM 1112 CB SER A 69 2.109 -1.313 -9.201 1.00 0.00 C ATOM 1113 OG SER A 69 1.143 -1.573 -10.211 1.00 0.00 O ATOM 0 H SER A 69 4.018 -0.028 -8.209 1.00 0.00 H new ATOM 0 HA SER A 69 1.520 0.736 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.114 -1.462 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.985 -2.012 -8.374 1.00 0.00 H new ATOM 0 HG SER A 69 0.797 -0.725 -10.559 1.00 0.00 H new ATOM 1119 N VAL A 70 1.441 -0.384 -6.381 1.00 0.00 N ATOM 1120 CA VAL A 70 0.582 -0.380 -5.170 1.00 0.00 C ATOM 1121 C VAL A 70 0.095 1.045 -4.943 1.00 0.00 C ATOM 1122 O VAL A 70 -1.055 1.287 -4.631 1.00 0.00 O ATOM 1123 CB VAL A 70 1.408 -0.847 -3.972 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.595 -0.687 -2.690 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.782 -2.319 -4.157 1.00 0.00 C ATOM 0 H VAL A 70 2.356 -0.820 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.270 -1.049 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 70 2.313 -0.244 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.188 -1.021 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.328 0.361 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.313 -1.287 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.371 -2.655 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.875 -2.919 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.367 -2.434 -5.070 1.00 0.00 H new ATOM 1135 N LEU A 71 0.968 1.993 -5.122 1.00 0.00 N ATOM 1136 CA LEU A 71 0.570 3.412 -4.945 1.00 0.00 C ATOM 1137 C LEU A 71 -0.472 3.755 -5.999 1.00 0.00 C ATOM 1138 O LEU A 71 -1.422 4.447 -5.735 1.00 0.00 O ATOM 1139 CB LEU A 71 1.782 4.307 -5.143 1.00 0.00 C ATOM 1140 CG LEU A 71 1.338 5.770 -5.179 1.00 0.00 C ATOM 1141 CD1 LEU A 71 0.935 6.217 -3.772 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.494 6.640 -5.678 1.00 0.00 C ATOM 0 H LEU A 71 1.943 1.845 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 71 0.166 3.562 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.497 4.153 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.291 4.048 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 71 0.486 5.875 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.619 7.260 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.113 5.597 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.786 6.113 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.179 7.683 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.345 6.535 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.782 6.323 -6.680 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.299 3.271 -7.197 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.293 3.565 -8.265 1.00 0.00 C ATOM 1156 C GLN A 72 -2.659 3.087 -7.796 1.00 0.00 C ATOM 1157 O GLN A 72 -3.674 3.677 -8.093 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.873 2.839 -9.563 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.942 1.833 -10.022 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.537 1.234 -11.369 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.283 0.962 -11.595 1.00 0.00 O flip ATOM 1162 NE2 GLN A 72 -2.371 1.012 -12.224 1.00 0.00 N flip ATOM 0 H GLN A 72 0.486 2.686 -7.482 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.338 4.635 -8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.701 3.572 -10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.071 2.319 -9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.054 1.042 -9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.909 2.329 -10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.353 1.225 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.090 0.612 -13.119 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.680 2.009 -7.081 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.959 1.462 -6.592 1.00 0.00 C ATOM 1173 C VAL A 73 -4.445 2.278 -5.394 1.00 0.00 C ATOM 1174 O VAL A 73 -5.627 2.415 -5.170 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.733 0.016 -6.177 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.967 -0.516 -5.453 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.434 -0.819 -7.429 1.00 0.00 C ATOM 0 H VAL A 73 -1.853 1.477 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.714 1.512 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.886 -0.048 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.798 -1.552 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.156 0.087 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.829 -0.464 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.270 -1.858 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.279 -0.761 -8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.540 -0.433 -7.919 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.547 2.811 -4.613 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.989 3.611 -3.430 1.00 0.00 C ATOM 1189 C PHE A 74 -4.529 4.973 -3.894 1.00 0.00 C ATOM 1190 O PHE A 74 -5.477 5.498 -3.343 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.808 3.817 -2.476 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.819 2.730 -1.430 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.713 2.800 -0.356 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.937 1.649 -1.538 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.726 1.789 0.611 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.949 0.637 -0.571 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.843 0.707 0.504 1.00 0.00 C ATOM 0 H PHE A 74 -2.538 2.731 -4.737 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.781 3.073 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.870 3.795 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.875 4.796 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.393 3.635 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.247 1.596 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.417 1.843 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.269 -0.198 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.852 -0.073 1.251 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.938 5.541 -4.909 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.403 6.853 -5.424 1.00 0.00 C ATOM 1209 C ARG A 75 -5.606 6.625 -6.323 1.00 0.00 C ATOM 1210 O ARG A 75 -6.541 7.394 -6.337 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.289 7.492 -6.237 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.812 8.772 -5.550 1.00 0.00 C ATOM 1213 CD ARG A 75 -3.626 9.961 -6.066 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.751 11.166 -6.159 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.828 11.377 -5.260 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.164 11.743 -4.053 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -0.569 11.224 -5.569 1.00 0.00 N ATOM 0 H ARG A 75 -3.142 5.144 -5.408 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.674 7.506 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.458 6.794 -6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.645 7.719 -7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.925 8.682 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.752 8.930 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.047 9.729 -7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.464 10.158 -5.397 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.874 11.826 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.148 11.864 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.443 11.908 -3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.306 10.940 -6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.152 11.389 -4.867 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.582 5.556 -7.063 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.720 5.231 -7.956 1.00 0.00 C ATOM 1233 C GLU A 76 -7.932 5.004 -7.067 1.00 0.00 C ATOM 1234 O GLU A 76 -8.994 5.544 -7.290 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.395 3.952 -8.715 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.727 4.282 -10.051 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.800 4.561 -11.105 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.825 3.901 -11.067 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.578 5.429 -11.933 1.00 0.00 O ATOM 0 H GLU A 76 -4.813 4.887 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.911 6.031 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.735 3.324 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.308 3.382 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.077 5.150 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.097 3.451 -10.369 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.756 4.228 -6.030 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.864 3.988 -5.086 1.00 0.00 C ATOM 1248 C ALA A 77 -9.182 5.331 -4.451 1.00 0.00 C ATOM 1249 O ALA A 77 -10.326 5.685 -4.247 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.439 2.983 -4.011 1.00 0.00 C ATOM 0 H ALA A 77 -6.883 3.751 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.734 3.573 -5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.267 2.816 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.164 2.040 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.584 3.377 -3.462 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.166 6.113 -4.182 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.414 7.459 -3.617 1.00 0.00 C ATOM 1258 C LYS A 78 -9.329 8.184 -4.593 1.00 0.00 C ATOM 1259 O LYS A 78 -10.140 9.014 -4.232 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.093 8.210 -3.536 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.013 8.981 -2.217 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.705 10.336 -2.374 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.708 11.358 -2.921 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.349 12.142 -4.014 1.00 0.00 N ATOM 0 H LYS A 78 -7.186 5.873 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.859 7.397 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.261 7.509 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.004 8.899 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.488 8.409 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.971 9.124 -1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.556 10.245 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.095 10.671 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.381 12.026 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.819 10.850 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.671 12.837 -4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.640 11.499 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.184 12.638 -3.642 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.178 7.854 -5.842 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.990 8.471 -6.910 1.00 0.00 C ATOM 1280 C ALA A 79 -11.403 7.892 -6.867 1.00 0.00 C ATOM 1281 O ALA A 79 -12.379 8.571 -7.118 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.339 8.141 -8.251 1.00 0.00 C ATOM 0 H ALA A 79 -8.505 7.162 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.045 9.551 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.921 8.586 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.325 8.541 -8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.305 7.060 -8.383 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.508 6.634 -6.548 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.834 5.973 -6.476 1.00 0.00 C ATOM 1290 C GLU A 80 -13.767 6.783 -5.574 1.00 0.00 C ATOM 1291 O GLU A 80 -14.973 6.638 -5.620 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.648 4.572 -5.891 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.338 3.586 -7.015 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.588 3.377 -7.873 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.663 3.287 -7.305 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.448 3.310 -9.083 1.00 0.00 O ATOM 0 H GLU A 80 -10.717 6.028 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.272 5.909 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.837 4.576 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.550 4.265 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.522 3.965 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.008 2.635 -6.597 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.216 7.622 -4.744 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.062 8.431 -3.824 1.00 0.00 C ATOM 1305 C GLY A 81 -13.692 8.084 -2.382 1.00 0.00 C ATOM 1306 O GLY A 81 -14.210 8.652 -1.441 1.00 0.00 O ATOM 0 H GLY A 81 -12.212 7.783 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.909 9.494 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.117 8.225 -4.003 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.793 7.153 -2.205 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.378 6.760 -0.834 1.00 0.00 C ATOM 1312 C CYS A 82 -11.589 7.903 -0.194 1.00 0.00 C ATOM 1313 O CYS A 82 -11.122 8.801 -0.868 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.492 5.519 -0.921 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.531 4.038 -0.997 1.00 0.00 S ATOM 0 H CYS A 82 -12.327 6.647 -2.958 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.259 6.545 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.855 5.575 -1.804 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.832 5.469 -0.055 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.161 3.200 -0.074 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.433 7.878 1.100 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.673 8.962 1.777 1.00 0.00 C ATOM 1323 C ASP A 83 -9.308 8.427 2.219 1.00 0.00 C ATOM 1324 O ASP A 83 -8.988 8.402 3.391 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.460 9.444 2.996 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.916 10.797 3.455 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.715 10.897 3.646 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.709 11.711 3.608 1.00 0.00 O ATOM 0 H ASP A 83 -11.799 7.153 1.717 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.526 9.795 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.518 9.531 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.381 8.716 3.803 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.501 8.001 1.285 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.155 7.471 1.642 1.00 0.00 C ATOM 1335 C ILE A 84 -6.135 8.615 1.590 1.00 0.00 C ATOM 1336 O ILE A 84 -5.469 8.818 0.595 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.747 6.395 0.640 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.559 5.133 0.886 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.261 6.081 0.803 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.105 4.641 -0.449 1.00 0.00 C ATOM 0 H ILE A 84 -8.717 7.997 0.288 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.186 7.044 2.644 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.934 6.756 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.936 4.366 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.377 5.337 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.971 5.312 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.677 6.983 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.074 5.723 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.691 3.735 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.739 5.411 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.276 4.424 -1.123 1.00 0.00 H new ATOM 1352 N THR A 85 -6.004 9.357 2.651 1.00 0.00 N ATOM 1353 CA THR A 85 -5.026 10.481 2.662 1.00 0.00 C ATOM 1354 C THR A 85 -3.666 9.977 2.176 1.00 0.00 C ATOM 1355 O THR A 85 -2.866 9.479 2.943 1.00 0.00 O ATOM 1356 CB THR A 85 -4.891 11.024 4.088 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.054 11.769 4.421 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.660 11.928 4.183 1.00 0.00 C ATOM 0 H THR A 85 -6.533 9.235 3.515 1.00 0.00 H new ATOM 0 HA THR A 85 -5.375 11.275 2.002 1.00 0.00 H new ATOM 0 HB THR A 85 -4.779 10.191 4.782 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.970 12.116 5.334 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.568 12.312 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.768 11.356 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.766 12.761 3.488 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.397 10.105 0.906 1.00 0.00 N ATOM 1367 CA ILE A 86 -2.088 9.638 0.370 1.00 0.00 C ATOM 1368 C ILE A 86 -0.974 10.541 0.904 1.00 0.00 C ATOM 1369 O ILE A 86 -1.028 11.748 0.775 1.00 0.00 O ATOM 1370 CB ILE A 86 -2.116 9.708 -1.157 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -3.151 8.710 -1.689 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.731 9.368 -1.713 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.586 7.288 -1.631 1.00 0.00 C ATOM 0 H ILE A 86 -4.028 10.513 0.216 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.905 8.610 0.684 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.388 10.715 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.065 8.771 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.418 8.963 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.753 9.419 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.001 10.082 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.451 8.361 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.328 6.586 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.685 7.229 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.342 7.035 -0.599 1.00 0.00 H new ATOM 1385 N ILE A 87 0.032 9.971 1.510 1.00 0.00 N ATOM 1386 CA ILE A 87 1.138 10.808 2.054 1.00 0.00 C ATOM 1387 C ILE A 87 2.483 10.278 1.547 1.00 0.00 C ATOM 1388 O ILE A 87 3.026 9.329 2.075 1.00 0.00 O ATOM 1389 CB ILE A 87 1.104 10.753 3.583 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.071 11.589 4.094 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.409 11.312 4.150 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.209 11.404 5.607 1.00 0.00 C ATOM 0 H ILE A 87 0.135 8.966 1.651 1.00 0.00 H new ATOM 0 HA ILE A 87 1.014 11.839 1.723 1.00 0.00 H new ATOM 0 HB ILE A 87 0.986 9.718 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.088 12.641 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.991 11.286 3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.380 11.271 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.248 10.718 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.531 12.347 3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.046 11.999 5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.388 10.352 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.708 11.728 6.098 1.00 0.00 H new ATOM 1404 N LEU A 88 3.024 10.887 0.527 1.00 0.00 N ATOM 1405 CA LEU A 88 4.333 10.422 -0.013 1.00 0.00 C ATOM 1406 C LEU A 88 5.463 11.240 0.616 1.00 0.00 C ATOM 1407 O LEU A 88 5.671 12.389 0.281 1.00 0.00 O ATOM 1408 CB LEU A 88 4.353 10.610 -1.531 1.00 0.00 C ATOM 1409 CG LEU A 88 4.037 9.279 -2.213 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.593 9.292 -2.715 1.00 0.00 C ATOM 1411 CD2 LEU A 88 4.985 9.075 -3.396 1.00 0.00 C ATOM 0 H LEU A 88 2.615 11.687 0.044 1.00 0.00 H new ATOM 0 HA LEU A 88 4.471 9.367 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.622 11.364 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.330 10.972 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 88 4.166 8.466 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.368 8.343 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.916 9.438 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.463 10.105 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.760 8.126 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.856 9.889 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.015 9.065 -3.039 1.00 0.00 H new ATOM 1423 N SER A 89 6.195 10.658 1.527 1.00 0.00 N ATOM 1424 CA SER A 89 7.310 11.404 2.175 1.00 0.00 C ATOM 1425 C SER A 89 8.637 10.704 1.873 1.00 0.00 C ATOM 1426 O SER A 89 8.624 9.761 1.100 1.00 0.00 O ATOM 1427 CB SER A 89 7.087 11.442 3.688 1.00 0.00 C ATOM 1428 OG SER A 89 7.275 12.770 4.157 1.00 0.00 O ATOM 1429 OXT SER A 89 9.643 11.124 2.420 1.00 0.00 O ATOM 0 H SER A 89 6.069 9.699 1.850 1.00 0.00 H new ATOM 0 HA SER A 89 7.340 12.422 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.081 11.098 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.782 10.766 4.187 1.00 0.00 H new ATOM 0 HG SER A 89 7.131 12.798 5.126 1.00 0.00 H new