USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 650 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 46 SER OG : rot 170:sc= -0.322 USER MOD Set 1.2: A 48 MET CE :methyl -163:sc= -3.92! (180deg=-3.04) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -171:sc= -15.2! (180deg=-17.3!) USER MOD Set 2.2: A 52 SER OG : rot -160:sc= 0.396 USER MOD Set 3.1: A 34 ASN : amide:sc= -5.81! C(o=-6.3!,f=-9.6!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.501 K(o=-6.3,f=-7.4) USER MOD Set 4.1: A 24 GLN : amide:sc= 0 X(o=-0.04,f=-0.14) USER MOD Set 4.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 28 LYS NZ :NH3+ 160:sc= -0.0402 (180deg=-0.42) USER MOD Set 5.1: A 12 THR OG1 : rot -117:sc= -0.573! USER MOD Set 5.2: A 15 HIS : no HD1:sc= -16.4! C(o=-17!,f=-39!) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= -1.57! (180deg=-2.45!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -21.4! C(o=-21!,f=-14!) USER MOD Single : A 20 THR OG1 : rot 101:sc= -0.444! USER MOD Single : A 27 SER OG : rot -41:sc= -4.4 USER MOD Single : A 30 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.12) USER MOD Single : A 31 SER OG : rot -124:sc= -5.43! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.193 (180deg=0.0409) USER MOD Single : A 41 SER OG : rot -11:sc= 0.795! USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0912) USER MOD Single : A 51 MET CE :methyl -157:sc= -5.31! (180deg=-7.23!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -170:sc= 0.177 USER MOD Single : A 62 THR OG1 : rot 130:sc= -9.11! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 74 MET CE :methyl -152:sc= -5.94! (180deg=-8.19!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.15) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -1.580 -9.415 -8.634 1.00 1.00 N ATOM 19 CA GLU A 2 -2.753 -8.558 -8.612 1.00 1.00 C ATOM 20 C GLU A 2 -2.397 -7.185 -8.038 1.00 1.00 C ATOM 21 O GLU A 2 -2.581 -6.940 -6.847 1.00 1.00 O ATOM 22 CB GLU A 2 -3.890 -9.206 -7.819 1.00 1.00 C ATOM 23 CG GLU A 2 -4.832 -9.979 -8.744 1.00 1.00 C ATOM 24 CD GLU A 2 -6.231 -9.360 -8.746 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.583 -8.752 -7.712 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.916 -9.508 -9.781 1.00 1.00 O ATOM 0 HA GLU A 2 -3.099 -8.423 -9.637 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -3.477 -9.880 -7.069 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.449 -8.438 -7.284 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.431 -9.982 -9.757 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.891 -11.019 -8.422 1.00 1.00 H new ATOM 33 N LYS A 3 -1.893 -6.327 -8.912 1.00 1.00 N ATOM 34 CA LYS A 3 -1.509 -4.985 -8.507 1.00 1.00 C ATOM 35 C LYS A 3 -2.727 -4.062 -8.597 1.00 1.00 C ATOM 36 O LYS A 3 -3.636 -4.304 -9.389 1.00 1.00 O ATOM 37 CB LYS A 3 -0.310 -4.501 -9.325 1.00 1.00 C ATOM 38 CG LYS A 3 -0.627 -3.186 -10.038 1.00 1.00 C ATOM 39 CD LYS A 3 0.584 -2.684 -10.828 1.00 1.00 C ATOM 40 CE LYS A 3 1.713 -2.259 -9.887 1.00 1.00 C ATOM 41 NZ LYS A 3 2.601 -1.279 -10.552 1.00 1.00 N ATOM 0 H LYS A 3 -1.741 -6.535 -9.899 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.180 -4.980 -7.468 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.551 -4.365 -8.670 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.036 -5.259 -10.058 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.472 -3.328 -10.712 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.926 -2.435 -9.307 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.938 -3.469 -11.496 1.00 1.00 H new ATOM 0 HD3 LYS A 3 0.291 -1.841 -11.454 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.294 -1.822 -8.981 1.00 1.00 H new ATOM 0 HE3 LYS A 3 2.289 -3.133 -9.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 3.138 -0.753 -9.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 3.262 -1.780 -11.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 2.028 -0.615 -11.111 1.00 1.00 H new ATOM 55 N LYS A 4 -2.704 -3.025 -7.773 1.00 1.00 N ATOM 56 CA LYS A 4 -3.795 -2.065 -7.750 1.00 1.00 C ATOM 57 C LYS A 4 -3.230 -0.664 -7.505 1.00 1.00 C ATOM 58 O LYS A 4 -2.747 -0.367 -6.414 1.00 1.00 O ATOM 59 CB LYS A 4 -4.857 -2.486 -6.732 1.00 1.00 C ATOM 60 CG LYS A 4 -6.199 -1.815 -7.032 1.00 1.00 C ATOM 61 CD LYS A 4 -6.833 -2.398 -8.297 1.00 1.00 C ATOM 62 CE LYS A 4 -8.119 -1.653 -8.659 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.789 -2.303 -9.808 1.00 1.00 N ATOM 0 H LYS A 4 -1.948 -2.828 -7.117 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.302 -2.041 -8.714 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -4.975 -3.569 -6.751 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.529 -2.219 -5.727 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.874 -1.950 -6.187 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.054 -0.742 -7.155 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.126 -2.335 -9.125 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.051 -3.455 -8.145 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.791 -1.637 -7.801 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.889 -0.616 -8.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.660 -1.785 -10.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.152 -2.296 -10.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.026 -3.285 -9.561 1.00 1.00 H new ATOM 77 N GLU A 5 -3.310 0.161 -8.540 1.00 1.00 N ATOM 78 CA GLU A 5 -2.813 1.523 -8.451 1.00 1.00 C ATOM 79 C GLU A 5 -3.869 2.433 -7.821 1.00 1.00 C ATOM 80 O GLU A 5 -5.064 2.259 -8.056 1.00 1.00 O ATOM 81 CB GLU A 5 -2.390 2.043 -9.826 1.00 1.00 C ATOM 82 CG GLU A 5 -1.485 1.036 -10.539 1.00 1.00 C ATOM 83 CD GLU A 5 -2.237 0.326 -11.666 1.00 1.00 C ATOM 84 OE1 GLU A 5 -2.988 1.027 -12.378 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.044 -0.903 -11.791 1.00 1.00 O ATOM 0 H GLU A 5 -3.712 -0.088 -9.444 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.931 1.526 -7.811 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.274 2.236 -10.433 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.866 2.992 -9.714 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.613 1.549 -10.945 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.117 0.301 -9.823 1.00 1.00 H new ATOM 92 N PHE A 6 -3.390 3.386 -7.034 1.00 1.00 N ATOM 93 CA PHE A 6 -4.278 4.324 -6.369 1.00 1.00 C ATOM 94 C PHE A 6 -3.600 5.682 -6.182 1.00 1.00 C ATOM 95 O PHE A 6 -2.443 5.860 -6.560 1.00 1.00 O ATOM 96 CB PHE A 6 -4.602 3.736 -4.994 1.00 1.00 C ATOM 97 CG PHE A 6 -5.335 2.394 -5.049 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.345 2.206 -5.940 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.976 1.388 -4.206 1.00 1.00 C ATOM 100 CE1 PHE A 6 -7.025 0.960 -5.990 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.656 0.143 -4.256 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.666 -0.045 -5.147 1.00 1.00 C ATOM 0 H PHE A 6 -2.398 3.528 -6.842 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.176 4.475 -6.969 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.674 3.609 -4.436 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.212 4.449 -4.440 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -6.630 3.004 -6.610 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.174 1.537 -3.499 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -7.827 0.811 -6.698 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.371 -0.655 -3.586 1.00 1.00 H new ATOM 0 HZ PHE A 6 -7.183 -0.992 -5.185 1.00 1.00 H new ATOM 112 N HIS A 7 -4.349 6.607 -5.600 1.00 1.00 N ATOM 113 CA HIS A 7 -3.835 7.944 -5.358 1.00 1.00 C ATOM 114 C HIS A 7 -4.306 8.435 -3.988 1.00 1.00 C ATOM 115 O HIS A 7 -5.450 8.204 -3.601 1.00 1.00 O ATOM 116 CB HIS A 7 -4.228 8.891 -6.494 1.00 1.00 C ATOM 117 CG HIS A 7 -4.606 10.279 -6.034 1.00 1.00 C ATOM 118 ND1 HIS A 7 -4.074 11.425 -6.598 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.467 10.691 -5.061 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.598 12.475 -5.983 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.461 12.018 -5.030 1.00 1.00 N ATOM 0 H HIS A 7 -5.309 6.457 -5.289 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.745 7.921 -5.342 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.397 8.966 -7.195 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.067 8.459 -7.039 1.00 1.00 H new ATOM 0 HD1 HIS A 7 -3.394 11.456 -7.358 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.054 10.047 -4.423 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.380 13.511 -6.198 1.00 1.00 H new ATOM 129 N ILE A 8 -3.399 9.104 -3.291 1.00 1.00 N ATOM 130 CA ILE A 8 -3.707 9.630 -1.972 1.00 1.00 C ATOM 131 C ILE A 8 -4.773 10.719 -2.098 1.00 1.00 C ATOM 132 O ILE A 8 -4.617 11.660 -2.876 1.00 1.00 O ATOM 133 CB ILE A 8 -2.430 10.098 -1.270 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.416 8.957 -1.158 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.748 10.718 0.092 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.123 7.605 -1.046 1.00 1.00 C ATOM 0 H ILE A 8 -2.451 9.294 -3.615 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.124 8.847 -1.338 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.972 10.877 -1.879 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.763 8.959 -2.031 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.782 9.113 -0.285 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.823 11.042 0.569 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.406 11.576 -0.044 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.242 9.978 0.722 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.380 6.811 -0.968 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.756 7.598 -0.159 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.737 7.441 -1.932 1.00 1.00 H new ATOM 148 N VAL A 9 -5.834 10.557 -1.321 1.00 1.00 N ATOM 149 CA VAL A 9 -6.927 11.514 -1.337 1.00 1.00 C ATOM 150 C VAL A 9 -7.154 12.045 0.080 1.00 1.00 C ATOM 151 O VAL A 9 -8.130 12.749 0.334 1.00 1.00 O ATOM 152 CB VAL A 9 -8.177 10.873 -1.942 1.00 1.00 C ATOM 153 CG1 VAL A 9 -8.010 10.661 -3.448 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.514 9.557 -1.237 1.00 1.00 C ATOM 0 H VAL A 9 -5.960 9.777 -0.676 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.678 12.367 -1.969 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.012 11.558 -1.791 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.913 10.204 -3.853 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.840 11.622 -3.934 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.158 10.006 -3.631 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.407 9.122 -1.686 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.680 8.864 -1.343 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.696 9.747 -0.179 1.00 1.00 H new ATOM 164 N ALA A 10 -6.236 11.687 0.966 1.00 1.00 N ATOM 165 CA ALA A 10 -6.323 12.118 2.351 1.00 1.00 C ATOM 166 C ALA A 10 -5.439 13.350 2.553 1.00 1.00 C ATOM 167 O ALA A 10 -5.559 14.047 3.560 1.00 1.00 O ATOM 168 CB ALA A 10 -5.932 10.962 3.272 1.00 1.00 C ATOM 0 H ALA A 10 -5.428 11.103 0.751 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.345 12.401 2.601 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.997 11.286 4.311 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.609 10.123 3.110 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.910 10.652 3.053 1.00 1.00 H new ATOM 174 N GLU A 11 -4.570 13.582 1.581 1.00 1.00 N ATOM 175 CA GLU A 11 -3.665 14.718 1.640 1.00 1.00 C ATOM 176 C GLU A 11 -3.043 14.829 3.033 1.00 1.00 C ATOM 177 O GLU A 11 -2.498 15.871 3.392 1.00 1.00 O ATOM 178 CB GLU A 11 -4.385 16.012 1.256 1.00 1.00 C ATOM 179 CG GLU A 11 -5.372 16.435 2.346 1.00 1.00 C ATOM 180 CD GLU A 11 -5.904 17.846 2.087 1.00 1.00 C ATOM 181 OE1 GLU A 11 -6.545 18.025 1.030 1.00 1.00 O ATOM 182 OE2 GLU A 11 -5.656 18.713 2.953 1.00 1.00 O ATOM 0 H GLU A 11 -4.473 13.003 0.747 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.864 14.558 0.918 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.654 16.805 1.095 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -4.916 15.871 0.314 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.203 15.730 2.383 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -4.882 16.400 3.319 1.00 1.00 H new ATOM 189 N THR A 12 -3.145 13.739 3.780 1.00 1.00 N ATOM 190 CA THR A 12 -2.599 13.701 5.126 1.00 1.00 C ATOM 191 C THR A 12 -1.074 13.820 5.087 1.00 1.00 C ATOM 192 O THR A 12 -0.502 14.725 5.692 1.00 1.00 O ATOM 193 CB THR A 12 -3.091 12.419 5.800 1.00 1.00 C ATOM 194 OG1 THR A 12 -2.791 12.614 7.179 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.261 11.195 5.408 1.00 1.00 C ATOM 0 H THR A 12 -3.597 12.876 3.479 1.00 1.00 H new ATOM 0 HA THR A 12 -2.945 14.549 5.717 1.00 1.00 H new ATOM 0 HB THR A 12 -4.135 12.249 5.537 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.149 11.935 7.473 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.653 10.313 5.914 1.00 1.00 H new ATOM 0 HG22 THR A 12 -2.316 11.049 4.329 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.223 11.350 5.701 1.00 1.00 H new ATOM 203 N GLY A 13 -0.459 12.892 4.368 1.00 1.00 N ATOM 204 CA GLY A 13 0.989 12.882 4.241 1.00 1.00 C ATOM 205 C GLY A 13 1.546 11.471 4.440 1.00 1.00 C ATOM 206 O GLY A 13 2.757 11.287 4.547 1.00 1.00 O ATOM 0 H GLY A 13 -0.937 12.142 3.868 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.274 13.254 3.257 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.427 13.557 4.976 1.00 1.00 H new ATOM 210 N ILE A 14 0.635 10.510 4.483 1.00 1.00 N ATOM 211 CA ILE A 14 1.020 9.121 4.667 1.00 1.00 C ATOM 212 C ILE A 14 2.017 9.022 5.823 1.00 1.00 C ATOM 213 O ILE A 14 3.173 8.653 5.621 1.00 1.00 O ATOM 214 CB ILE A 14 1.539 8.531 3.355 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.415 8.414 2.323 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.238 7.191 3.595 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.729 9.377 2.647 1.00 1.00 C ATOM 0 H ILE A 14 -0.369 10.666 4.394 1.00 1.00 H new ATOM 0 HA ILE A 14 0.154 8.518 4.940 1.00 1.00 H new ATOM 0 HB ILE A 14 2.283 9.214 2.945 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.806 8.629 1.328 1.00 1.00 H new ATOM 0 HG13 ILE A 14 0.039 7.391 2.303 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.598 6.793 2.646 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.081 7.336 4.270 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.534 6.488 4.040 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.515 9.274 1.898 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.133 9.143 3.632 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.355 10.401 2.642 1.00 1.00 H new ATOM 229 N HIS A 15 1.533 9.356 7.010 1.00 1.00 N ATOM 230 CA HIS A 15 2.368 9.309 8.199 1.00 1.00 C ATOM 231 C HIS A 15 2.113 8.003 8.954 1.00 1.00 C ATOM 232 O HIS A 15 1.289 7.191 8.535 1.00 1.00 O ATOM 233 CB HIS A 15 2.146 10.549 9.068 1.00 1.00 C ATOM 234 CG HIS A 15 0.723 11.055 9.064 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.231 10.617 9.967 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.103 11.966 8.261 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.370 11.242 9.708 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.161 12.077 8.650 1.00 1.00 N ATOM 0 H HIS A 15 0.573 9.660 7.174 1.00 1.00 H new ATOM 0 HA HIS A 15 3.419 9.322 7.910 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.436 10.318 10.093 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.805 11.345 8.722 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.563 12.506 7.446 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.300 11.113 10.241 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.861 12.687 8.227 1.00 1.00 H new ATOM 246 N ALA A 16 2.835 7.841 10.053 1.00 1.00 N ATOM 247 CA ALA A 16 2.698 6.648 10.870 1.00 1.00 C ATOM 248 C ALA A 16 1.218 6.272 10.971 1.00 1.00 C ATOM 249 O ALA A 16 0.875 5.091 11.007 1.00 1.00 O ATOM 250 CB ALA A 16 3.332 6.891 12.241 1.00 1.00 C ATOM 0 H ALA A 16 3.517 8.517 10.397 1.00 1.00 H new ATOM 0 HA ALA A 16 3.222 5.808 10.413 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.229 5.995 12.854 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.389 7.126 12.117 1.00 1.00 H new ATOM 0 HB3 ALA A 16 2.830 7.725 12.731 1.00 1.00 H new ATOM 256 N ARG A 17 0.381 7.298 11.014 1.00 1.00 N ATOM 257 CA ARG A 17 -1.054 7.090 11.111 1.00 1.00 C ATOM 258 C ARG A 17 -1.586 6.456 9.824 1.00 1.00 C ATOM 259 O ARG A 17 -1.955 5.282 9.813 1.00 1.00 O ATOM 260 CB ARG A 17 -1.786 8.410 11.361 1.00 1.00 C ATOM 261 CG ARG A 17 -2.096 8.592 12.848 1.00 1.00 C ATOM 262 CD ARG A 17 -0.808 8.672 13.670 1.00 1.00 C ATOM 263 NE ARG A 17 -0.567 10.068 14.099 1.00 1.00 N ATOM 264 CZ ARG A 17 0.126 10.408 15.194 1.00 1.00 C ATOM 265 NH1 ARG A 17 0.652 9.457 15.977 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.295 11.701 15.505 1.00 1.00 N ATOM 0 H ARG A 17 0.669 8.276 10.983 1.00 1.00 H new ATOM 0 HA ARG A 17 -1.236 6.421 11.952 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.175 9.241 11.009 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.713 8.430 10.788 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.681 9.500 12.993 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.706 7.760 13.201 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.883 8.023 14.542 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.034 8.314 13.077 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.953 10.818 13.525 1.00 1.00 H new ATOM 0 HH11 ARG A 17 0.525 8.473 15.740 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.180 9.717 16.810 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -0.104 12.425 14.908 1.00 1.00 H new ATOM 0 HH22 ARG A 17 0.823 11.960 16.339 1.00 1.00 H new ATOM 280 N PRO A 18 -1.608 7.280 8.743 1.00 1.00 N ATOM 281 CA PRO A 18 -2.089 6.812 7.454 1.00 1.00 C ATOM 282 C PRO A 18 -1.058 5.903 6.782 1.00 1.00 C ATOM 283 O PRO A 18 -1.417 5.024 5.999 1.00 1.00 O ATOM 284 CB PRO A 18 -2.375 8.075 6.658 1.00 1.00 C ATOM 285 CG PRO A 18 -1.610 9.189 7.355 1.00 1.00 C ATOM 286 CD PRO A 18 -1.179 8.676 8.719 1.00 1.00 C ATOM 0 HA PRO A 18 -2.986 6.198 7.537 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.050 7.966 5.623 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.443 8.289 6.636 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.741 9.482 6.766 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.237 10.074 7.461 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.100 8.761 8.851 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.645 9.247 9.522 1.00 1.00 H new ATOM 294 N ALA A 19 0.202 6.146 7.112 1.00 1.00 N ATOM 295 CA ALA A 19 1.287 5.359 6.550 1.00 1.00 C ATOM 296 C ALA A 19 1.114 3.895 6.956 1.00 1.00 C ATOM 297 O ALA A 19 1.175 3.002 6.112 1.00 1.00 O ATOM 298 CB ALA A 19 2.627 5.937 7.009 1.00 1.00 C ATOM 0 H ALA A 19 0.496 6.876 7.761 1.00 1.00 H new ATOM 0 HA ALA A 19 1.268 5.403 5.461 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.441 5.347 6.588 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.713 6.969 6.670 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.683 5.907 8.097 1.00 1.00 H new ATOM 304 N THR A 20 0.901 3.693 8.248 1.00 1.00 N ATOM 305 CA THR A 20 0.718 2.352 8.776 1.00 1.00 C ATOM 306 C THR A 20 -0.643 1.794 8.354 1.00 1.00 C ATOM 307 O THR A 20 -0.758 0.615 8.023 1.00 1.00 O ATOM 308 CB THR A 20 0.906 2.412 10.293 1.00 1.00 C ATOM 309 OG1 THR A 20 1.816 3.491 10.488 1.00 1.00 O ATOM 310 CG2 THR A 20 1.653 1.192 10.839 1.00 1.00 C ATOM 0 H THR A 20 0.851 4.436 8.945 1.00 1.00 H new ATOM 0 HA THR A 20 1.457 1.662 8.369 1.00 1.00 H new ATOM 0 HB THR A 20 -0.068 2.488 10.776 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.321 4.290 10.765 1.00 1.00 H new ATOM 0 HG21 THR A 20 1.760 1.284 11.920 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.092 0.287 10.606 1.00 1.00 H new ATOM 0 HG23 THR A 20 2.640 1.135 10.380 1.00 1.00 H new ATOM 318 N LEU A 21 -1.639 2.667 8.381 1.00 1.00 N ATOM 319 CA LEU A 21 -2.987 2.276 8.006 1.00 1.00 C ATOM 320 C LEU A 21 -2.924 1.337 6.799 1.00 1.00 C ATOM 321 O LEU A 21 -3.405 0.207 6.862 1.00 1.00 O ATOM 322 CB LEU A 21 -3.860 3.512 7.779 1.00 1.00 C ATOM 323 CG LEU A 21 -5.350 3.347 8.086 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.124 4.622 7.747 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.924 2.121 7.373 1.00 1.00 C ATOM 0 H LEU A 21 -1.539 3.644 8.657 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.463 1.723 8.816 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.471 4.325 8.392 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.756 3.820 6.739 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.462 3.178 9.157 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.180 4.478 7.975 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.735 5.451 8.338 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -6.009 4.847 6.687 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.984 2.027 7.608 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.800 2.235 6.296 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.398 1.227 7.706 1.00 1.00 H new ATOM 337 N LEU A 22 -2.327 1.841 5.729 1.00 1.00 N ATOM 338 CA LEU A 22 -2.195 1.061 4.510 1.00 1.00 C ATOM 339 C LEU A 22 -1.229 -0.100 4.754 1.00 1.00 C ATOM 340 O LEU A 22 -1.625 -1.263 4.703 1.00 1.00 O ATOM 341 CB LEU A 22 -1.792 1.961 3.340 1.00 1.00 C ATOM 342 CG LEU A 22 -0.663 2.956 3.616 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.602 2.579 2.843 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.110 4.389 3.321 1.00 1.00 C ATOM 0 H LEU A 22 -1.930 2.779 5.681 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.154 0.624 4.231 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.494 1.326 2.505 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.671 2.520 3.018 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.418 2.908 4.677 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.389 3.303 3.057 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.931 1.585 3.146 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.389 2.580 1.774 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.289 5.076 3.526 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.400 4.471 2.273 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.961 4.642 3.954 1.00 1.00 H new ATOM 356 N VAL A 23 0.021 0.257 5.014 1.00 1.00 N ATOM 357 CA VAL A 23 1.047 -0.740 5.266 1.00 1.00 C ATOM 358 C VAL A 23 0.509 -1.781 6.250 1.00 1.00 C ATOM 359 O VAL A 23 0.558 -2.980 5.979 1.00 1.00 O ATOM 360 CB VAL A 23 2.328 -0.062 5.755 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.046 0.838 6.960 1.00 1.00 C ATOM 362 CG2 VAL A 23 3.406 -1.096 6.082 1.00 1.00 C ATOM 0 H VAL A 23 0.346 1.223 5.055 1.00 1.00 H new ATOM 0 HA VAL A 23 1.304 -1.264 4.345 1.00 1.00 H new ATOM 0 HB VAL A 23 2.703 0.567 4.948 1.00 1.00 H new ATOM 0 HG11 VAL A 23 2.973 1.308 7.288 1.00 1.00 H new ATOM 0 HG12 VAL A 23 1.328 1.609 6.679 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.635 0.239 7.773 1.00 1.00 H new ATOM 0 HG21 VAL A 23 4.306 -0.587 6.427 1.00 1.00 H new ATOM 0 HG22 VAL A 23 3.044 -1.764 6.864 1.00 1.00 H new ATOM 0 HG23 VAL A 23 3.637 -1.676 5.188 1.00 1.00 H new ATOM 372 N GLN A 24 0.008 -1.285 7.372 1.00 1.00 N ATOM 373 CA GLN A 24 -0.538 -2.158 8.397 1.00 1.00 C ATOM 374 C GLN A 24 -1.534 -3.142 7.781 1.00 1.00 C ATOM 375 O GLN A 24 -1.587 -4.306 8.177 1.00 1.00 O ATOM 376 CB GLN A 24 -1.192 -1.345 9.517 1.00 1.00 C ATOM 377 CG GLN A 24 -2.566 -0.826 9.087 1.00 1.00 C ATOM 378 CD GLN A 24 -3.579 -0.946 10.228 1.00 1.00 C ATOM 379 OE1 GLN A 24 -3.283 -0.692 11.384 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.786 -1.345 9.839 1.00 1.00 N ATOM 0 H GLN A 24 -0.031 -0.290 7.594 1.00 1.00 H new ATOM 0 HA GLN A 24 0.281 -2.728 8.836 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.296 -1.964 10.408 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.550 -0.506 9.785 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.484 0.216 8.776 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.918 -1.390 8.223 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -4.966 -1.541 8.854 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -5.532 -1.455 10.525 1.00 1.00 H new ATOM 389 N THR A 25 -2.299 -2.640 6.823 1.00 1.00 N ATOM 390 CA THR A 25 -3.290 -3.461 6.149 1.00 1.00 C ATOM 391 C THR A 25 -2.645 -4.241 5.002 1.00 1.00 C ATOM 392 O THR A 25 -3.087 -5.339 4.666 1.00 1.00 O ATOM 393 CB THR A 25 -4.431 -2.549 5.697 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.499 -2.861 6.587 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.973 -2.928 4.317 1.00 1.00 C ATOM 0 H THR A 25 -2.252 -1.674 6.497 1.00 1.00 H new ATOM 0 HA THR A 25 -3.703 -4.214 6.821 1.00 1.00 H new ATOM 0 HB THR A 25 -4.084 -1.516 5.679 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.280 -2.312 6.366 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.781 -2.249 4.044 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.174 -2.855 3.580 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.351 -3.950 4.343 1.00 1.00 H new ATOM 403 N ALA A 26 -1.608 -3.644 4.432 1.00 1.00 N ATOM 404 CA ALA A 26 -0.897 -4.269 3.329 1.00 1.00 C ATOM 405 C ALA A 26 0.112 -5.276 3.884 1.00 1.00 C ATOM 406 O ALA A 26 0.361 -6.312 3.270 1.00 1.00 O ATOM 407 CB ALA A 26 -0.233 -3.189 2.473 1.00 1.00 C ATOM 0 H ALA A 26 -1.243 -2.734 4.713 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.588 -4.815 2.687 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.300 -3.657 1.646 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.996 -2.517 2.079 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.470 -2.622 3.083 1.00 1.00 H new ATOM 413 N SER A 27 0.665 -4.936 5.039 1.00 1.00 N ATOM 414 CA SER A 27 1.641 -5.798 5.684 1.00 1.00 C ATOM 415 C SER A 27 0.940 -6.743 6.661 1.00 1.00 C ATOM 416 O SER A 27 1.353 -6.869 7.813 1.00 1.00 O ATOM 417 CB SER A 27 2.706 -4.975 6.412 1.00 1.00 C ATOM 418 OG SER A 27 3.956 -5.656 6.474 1.00 1.00 O ATOM 0 H SER A 27 0.456 -4.075 5.545 1.00 1.00 H new ATOM 0 HA SER A 27 2.139 -6.387 4.914 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.838 -4.021 5.902 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.364 -4.752 7.423 1.00 1.00 H new ATOM 0 HG SER A 27 3.803 -6.604 6.670 1.00 1.00 H new ATOM 424 N LYS A 28 -0.108 -7.384 6.166 1.00 1.00 N ATOM 425 CA LYS A 28 -0.871 -8.314 6.982 1.00 1.00 C ATOM 426 C LYS A 28 -1.575 -9.324 6.073 1.00 1.00 C ATOM 427 O LYS A 28 -2.588 -9.907 6.455 1.00 1.00 O ATOM 428 CB LYS A 28 -1.820 -7.557 7.912 1.00 1.00 C ATOM 429 CG LYS A 28 -2.641 -6.525 7.136 1.00 1.00 C ATOM 430 CD LYS A 28 -3.778 -7.196 6.364 1.00 1.00 C ATOM 431 CE LYS A 28 -4.865 -7.698 7.315 1.00 1.00 C ATOM 432 NZ LYS A 28 -5.537 -6.560 7.982 1.00 1.00 N ATOM 0 H LYS A 28 -0.447 -7.278 5.210 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.208 -8.881 7.635 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.489 -8.261 8.407 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.247 -7.058 8.694 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.051 -5.788 7.826 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.994 -5.987 6.443 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.208 -6.488 5.655 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.385 -8.030 5.783 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -5.597 -8.287 6.762 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -4.425 -8.358 8.063 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -6.461 -6.868 8.346 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -4.949 -6.224 8.771 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -5.673 -5.788 7.298 1.00 1.00 H new ATOM 446 N PHE A 29 -1.010 -9.499 4.887 1.00 1.00 N ATOM 447 CA PHE A 29 -1.571 -10.428 3.921 1.00 1.00 C ATOM 448 C PHE A 29 -0.554 -11.507 3.543 1.00 1.00 C ATOM 449 O PHE A 29 0.628 -11.216 3.364 1.00 1.00 O ATOM 450 CB PHE A 29 -1.924 -9.617 2.673 1.00 1.00 C ATOM 451 CG PHE A 29 -2.942 -8.502 2.923 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.990 -8.714 3.763 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.798 -7.299 2.305 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.935 -7.680 3.994 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.743 -6.265 2.537 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.791 -6.477 3.377 1.00 1.00 C ATOM 0 H PHE A 29 -0.170 -9.013 4.573 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.445 -10.923 4.345 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.012 -9.178 2.267 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.319 -10.292 1.913 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.104 -9.669 4.254 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.965 -7.130 1.638 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.768 -7.849 4.660 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.629 -5.310 2.046 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.509 -5.690 3.554 1.00 1.00 H new ATOM 466 N ASN A 30 -1.050 -12.731 3.433 1.00 1.00 N ATOM 467 CA ASN A 30 -0.199 -13.854 3.080 1.00 1.00 C ATOM 468 C ASN A 30 0.228 -13.724 1.616 1.00 1.00 C ATOM 469 O ASN A 30 0.979 -14.556 1.109 1.00 1.00 O ATOM 470 CB ASN A 30 -0.945 -15.181 3.238 1.00 1.00 C ATOM 471 CG ASN A 30 -0.693 -15.789 4.619 1.00 1.00 C ATOM 472 OD1 ASN A 30 0.433 -16.017 5.030 1.00 1.00 O ATOM 473 ND2 ASN A 30 -1.802 -16.040 5.310 1.00 1.00 N ATOM 0 H ASN A 30 -2.031 -12.969 3.582 1.00 1.00 H new ATOM 0 HA ASN A 30 0.665 -13.844 3.744 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -2.014 -15.021 3.097 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.622 -15.878 2.465 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -1.740 -16.448 6.243 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.714 -15.825 4.907 1.00 1.00 H new ATOM 480 N SER A 31 -0.268 -12.674 0.979 1.00 1.00 N ATOM 481 CA SER A 31 0.053 -12.424 -0.416 1.00 1.00 C ATOM 482 C SER A 31 1.127 -11.339 -0.519 1.00 1.00 C ATOM 483 O SER A 31 1.542 -10.773 0.491 1.00 1.00 O ATOM 484 CB SER A 31 -1.193 -12.014 -1.203 1.00 1.00 C ATOM 485 OG SER A 31 -1.887 -13.142 -1.730 1.00 1.00 O ATOM 0 H SER A 31 -0.890 -11.986 1.403 1.00 1.00 H new ATOM 0 HA SER A 31 0.436 -13.348 -0.850 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.861 -11.448 -0.554 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.905 -11.352 -2.019 1.00 1.00 H new ATOM 0 HG SER A 31 -1.982 -13.044 -2.700 1.00 1.00 H new ATOM 491 N ASP A 32 1.546 -11.081 -1.750 1.00 1.00 N ATOM 492 CA ASP A 32 2.563 -10.074 -1.998 1.00 1.00 C ATOM 493 C ASP A 32 1.886 -8.733 -2.288 1.00 1.00 C ATOM 494 O ASP A 32 1.509 -8.457 -3.426 1.00 1.00 O ATOM 495 CB ASP A 32 3.419 -10.443 -3.211 1.00 1.00 C ATOM 496 CG ASP A 32 4.798 -11.016 -2.879 1.00 1.00 C ATOM 497 OD1 ASP A 32 4.832 -12.019 -2.134 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.788 -10.438 -3.378 1.00 1.00 O ATOM 0 H ASP A 32 1.199 -11.552 -2.586 1.00 1.00 H new ATOM 0 HA ASP A 32 3.198 -10.011 -1.114 1.00 1.00 H new ATOM 0 HB2 ASP A 32 2.875 -11.171 -3.813 1.00 1.00 H new ATOM 0 HB3 ASP A 32 3.550 -9.554 -3.828 1.00 1.00 H new ATOM 503 N ILE A 33 1.754 -7.934 -1.239 1.00 1.00 N ATOM 504 CA ILE A 33 1.129 -6.628 -1.367 1.00 1.00 C ATOM 505 C ILE A 33 2.147 -5.544 -1.008 1.00 1.00 C ATOM 506 O ILE A 33 2.751 -5.584 0.063 1.00 1.00 O ATOM 507 CB ILE A 33 -0.155 -6.565 -0.537 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.049 -5.412 -0.998 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.162 -6.483 0.958 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.744 -4.134 -0.214 1.00 1.00 C ATOM 0 H ILE A 33 2.069 -8.166 -0.297 1.00 1.00 H new ATOM 0 HA ILE A 33 0.823 -6.451 -2.398 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.712 -7.488 -0.697 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.899 -5.234 -2.063 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.096 -5.683 -0.865 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.768 -6.439 1.525 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.729 -7.364 1.258 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.751 -5.587 1.157 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.393 -3.330 -0.561 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.918 -4.308 0.848 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.297 -3.852 -0.369 1.00 1.00 H new ATOM 522 N ASN A 34 2.306 -4.600 -1.924 1.00 1.00 N ATOM 523 CA ASN A 34 3.240 -3.506 -1.718 1.00 1.00 C ATOM 524 C ASN A 34 2.603 -2.200 -2.195 1.00 1.00 C ATOM 525 O ASN A 34 1.489 -2.203 -2.718 1.00 1.00 O ATOM 526 CB ASN A 34 4.527 -3.724 -2.516 1.00 1.00 C ATOM 527 CG ASN A 34 5.150 -5.084 -2.192 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.760 -5.768 -1.260 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.136 -5.436 -3.012 1.00 1.00 N ATOM 0 H ASN A 34 1.803 -4.570 -2.811 1.00 1.00 H new ATOM 0 HA ASN A 34 3.478 -3.461 -0.655 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.312 -3.663 -3.583 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.239 -2.931 -2.289 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.616 -6.326 -2.880 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.413 -4.816 -3.773 1.00 1.00 H new ATOM 536 N LEU A 35 3.337 -1.114 -1.999 1.00 1.00 N ATOM 537 CA LEU A 35 2.857 0.196 -2.403 1.00 1.00 C ATOM 538 C LEU A 35 3.853 0.819 -3.384 1.00 1.00 C ATOM 539 O LEU A 35 5.063 0.721 -3.191 1.00 1.00 O ATOM 540 CB LEU A 35 2.578 1.066 -1.176 1.00 1.00 C ATOM 541 CG LEU A 35 3.552 2.222 -0.937 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.543 3.198 -2.115 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.256 2.924 0.390 1.00 1.00 C ATOM 0 H LEU A 35 4.260 -1.115 -1.566 1.00 1.00 H new ATOM 0 HA LEU A 35 1.905 0.108 -2.926 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.573 1.477 -1.268 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.581 0.426 -0.293 1.00 1.00 H new ATOM 0 HG LEU A 35 4.559 1.811 -0.866 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.243 4.010 -1.920 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.839 2.674 -3.024 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.540 3.606 -2.242 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.963 3.741 0.535 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.241 3.321 0.373 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.353 2.211 1.209 1.00 1.00 H new ATOM 555 N GLU A 36 3.305 1.444 -4.416 1.00 1.00 N ATOM 556 CA GLU A 36 4.130 2.082 -5.428 1.00 1.00 C ATOM 557 C GLU A 36 3.800 3.573 -5.519 1.00 1.00 C ATOM 558 O GLU A 36 2.660 3.945 -5.792 1.00 1.00 O ATOM 559 CB GLU A 36 3.958 1.399 -6.786 1.00 1.00 C ATOM 560 CG GLU A 36 4.807 2.086 -7.857 1.00 1.00 C ATOM 561 CD GLU A 36 4.024 3.209 -8.541 1.00 1.00 C ATOM 562 OE1 GLU A 36 4.040 4.330 -7.989 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.426 2.920 -9.600 1.00 1.00 O ATOM 0 H GLU A 36 2.300 1.522 -4.573 1.00 1.00 H new ATOM 0 HA GLU A 36 5.175 1.978 -5.135 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.244 0.350 -6.708 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.908 1.423 -7.079 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.711 2.492 -7.404 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.124 1.354 -8.600 1.00 1.00 H new ATOM 570 N TYR A 37 4.818 4.388 -5.284 1.00 1.00 N ATOM 571 CA TYR A 37 4.651 5.830 -5.336 1.00 1.00 C ATOM 572 C TYR A 37 5.700 6.471 -6.247 1.00 1.00 C ATOM 573 O TYR A 37 6.894 6.219 -6.097 1.00 1.00 O ATOM 574 CB TYR A 37 4.860 6.331 -3.905 1.00 1.00 C ATOM 575 CG TYR A 37 4.912 7.855 -3.781 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.303 8.646 -4.733 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.569 8.438 -2.716 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.352 10.080 -4.616 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.619 9.872 -2.599 1.00 1.00 C ATOM 580 CZ TYR A 37 5.008 10.623 -3.555 1.00 1.00 C ATOM 581 OH TYR A 37 5.054 11.977 -3.444 1.00 1.00 O ATOM 0 H TYR A 37 5.762 4.076 -5.057 1.00 1.00 H new ATOM 0 HA TYR A 37 3.668 6.089 -5.730 1.00 1.00 H new ATOM 0 HB2 TYR A 37 4.053 5.953 -3.277 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.789 5.913 -3.517 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.789 8.189 -5.566 1.00 1.00 H new ATOM 0 HD2 TYR A 37 6.045 7.818 -1.971 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.879 10.711 -5.354 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.130 10.341 -1.771 1.00 1.00 H new ATOM 0 HH TYR A 37 5.554 12.222 -2.638 1.00 1.00 H new ATOM 591 N LYS A 38 5.215 7.288 -7.170 1.00 1.00 N ATOM 592 CA LYS A 38 6.096 7.968 -8.105 1.00 1.00 C ATOM 593 C LYS A 38 6.615 6.961 -9.134 1.00 1.00 C ATOM 594 O LYS A 38 7.276 7.340 -10.099 1.00 1.00 O ATOM 595 CB LYS A 38 7.205 8.708 -7.355 1.00 1.00 C ATOM 596 CG LYS A 38 6.620 9.656 -6.306 1.00 1.00 C ATOM 597 CD LYS A 38 7.506 10.891 -6.128 1.00 1.00 C ATOM 598 CE LYS A 38 8.847 10.516 -5.495 1.00 1.00 C ATOM 599 NZ LYS A 38 8.771 10.620 -4.021 1.00 1.00 N ATOM 0 H LYS A 38 4.223 7.495 -7.291 1.00 1.00 H new ATOM 0 HA LYS A 38 5.550 8.734 -8.655 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.865 7.988 -6.872 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.813 9.273 -8.062 1.00 1.00 H new ATOM 0 HG2 LYS A 38 5.618 9.963 -6.606 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.521 9.134 -5.354 1.00 1.00 H new ATOM 0 HD2 LYS A 38 7.676 11.364 -7.095 1.00 1.00 H new ATOM 0 HD3 LYS A 38 6.996 11.622 -5.501 1.00 1.00 H new ATOM 0 HE2 LYS A 38 9.119 9.500 -5.780 1.00 1.00 H new ATOM 0 HE3 LYS A 38 9.630 11.173 -5.872 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.545 10.073 -3.594 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 8.855 11.617 -3.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.859 10.243 -3.693 1.00 1.00 H new ATOM 613 N GLY A 39 6.296 5.698 -8.892 1.00 1.00 N ATOM 614 CA GLY A 39 6.721 4.634 -9.785 1.00 1.00 C ATOM 615 C GLY A 39 7.565 3.598 -9.040 1.00 1.00 C ATOM 616 O GLY A 39 8.077 2.657 -9.646 1.00 1.00 O ATOM 0 H GLY A 39 5.748 5.388 -8.090 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.847 4.150 -10.222 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.298 5.054 -10.609 1.00 1.00 H new ATOM 620 N LYS A 40 7.683 3.804 -7.736 1.00 1.00 N ATOM 621 CA LYS A 40 8.455 2.899 -6.902 1.00 1.00 C ATOM 622 C LYS A 40 7.501 2.003 -6.110 1.00 1.00 C ATOM 623 O LYS A 40 6.763 2.483 -5.251 1.00 1.00 O ATOM 624 CB LYS A 40 9.434 3.682 -6.025 1.00 1.00 C ATOM 625 CG LYS A 40 10.120 2.763 -5.013 1.00 1.00 C ATOM 626 CD LYS A 40 11.107 3.544 -4.143 1.00 1.00 C ATOM 627 CE LYS A 40 10.664 3.546 -2.679 1.00 1.00 C ATOM 628 NZ LYS A 40 10.583 4.932 -2.164 1.00 1.00 N ATOM 0 H LYS A 40 7.257 4.585 -7.237 1.00 1.00 H new ATOM 0 HA LYS A 40 9.070 2.244 -7.519 1.00 1.00 H new ATOM 0 HB2 LYS A 40 10.185 4.163 -6.652 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.902 4.475 -5.499 1.00 1.00 H new ATOM 0 HG2 LYS A 40 9.370 2.288 -4.381 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.645 1.965 -5.538 1.00 1.00 H new ATOM 0 HD2 LYS A 40 12.100 3.101 -4.226 1.00 1.00 H new ATOM 0 HD3 LYS A 40 11.184 4.569 -4.505 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.693 3.060 -2.586 1.00 1.00 H new ATOM 0 HE3 LYS A 40 11.368 2.969 -2.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.431 4.912 -1.135 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.470 5.432 -2.373 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 9.791 5.426 -2.621 1.00 1.00 H new ATOM 642 N SER A 41 7.547 0.717 -6.427 1.00 1.00 N ATOM 643 CA SER A 41 6.696 -0.250 -5.755 1.00 1.00 C ATOM 644 C SER A 41 7.534 -1.125 -4.821 1.00 1.00 C ATOM 645 O SER A 41 8.379 -1.894 -5.277 1.00 1.00 O ATOM 646 CB SER A 41 5.947 -1.120 -6.767 1.00 1.00 C ATOM 647 OG SER A 41 6.701 -2.268 -7.146 1.00 1.00 O ATOM 0 H SER A 41 8.160 0.323 -7.140 1.00 1.00 H new ATOM 0 HA SER A 41 5.958 0.294 -5.167 1.00 1.00 H new ATOM 0 HB2 SER A 41 4.996 -1.436 -6.339 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.717 -0.529 -7.653 1.00 1.00 H new ATOM 0 HG SER A 41 7.621 -2.177 -6.821 1.00 1.00 H new ATOM 653 N VAL A 42 7.271 -0.978 -3.531 1.00 1.00 N ATOM 654 CA VAL A 42 7.991 -1.745 -2.528 1.00 1.00 C ATOM 655 C VAL A 42 7.040 -2.096 -1.382 1.00 1.00 C ATOM 656 O VAL A 42 6.118 -1.340 -1.082 1.00 1.00 O ATOM 657 CB VAL A 42 9.226 -0.971 -2.065 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.814 -0.141 -3.208 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.901 -0.090 -0.858 1.00 1.00 C ATOM 0 H VAL A 42 6.569 -0.339 -3.157 1.00 1.00 H new ATOM 0 HA VAL A 42 8.352 -2.683 -2.950 1.00 1.00 H new ATOM 0 HB VAL A 42 9.979 -1.696 -1.756 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.691 0.399 -2.852 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.102 -0.801 -4.026 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.068 0.571 -3.562 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.797 0.449 -0.549 1.00 1.00 H new ATOM 0 HG22 VAL A 42 8.123 0.624 -1.128 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.552 -0.714 -0.035 1.00 1.00 H new ATOM 669 N ASN A 43 7.298 -3.244 -0.772 1.00 1.00 N ATOM 670 CA ASN A 43 6.477 -3.704 0.335 1.00 1.00 C ATOM 671 C ASN A 43 6.203 -2.534 1.282 1.00 1.00 C ATOM 672 O ASN A 43 6.948 -2.318 2.238 1.00 1.00 O ATOM 673 CB ASN A 43 7.189 -4.800 1.130 1.00 1.00 C ATOM 674 CG ASN A 43 8.029 -5.688 0.210 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.524 -6.379 -0.660 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.336 -5.630 0.448 1.00 1.00 N ATOM 0 H ASN A 43 8.064 -3.869 -1.024 1.00 1.00 H new ATOM 0 HA ASN A 43 5.549 -4.102 -0.076 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.829 -4.347 1.888 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.453 -5.408 1.656 1.00 1.00 H new ATOM 0 HD21 ASN A 43 9.982 -6.185 -0.114 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.693 -5.031 1.192 1.00 1.00 H new ATOM 683 N LEU A 44 5.134 -1.811 0.985 1.00 1.00 N ATOM 684 CA LEU A 44 4.753 -0.669 1.798 1.00 1.00 C ATOM 685 C LEU A 44 5.424 -0.778 3.169 1.00 1.00 C ATOM 686 O LEU A 44 5.859 0.225 3.733 1.00 1.00 O ATOM 687 CB LEU A 44 3.230 -0.544 1.867 1.00 1.00 C ATOM 688 CG LEU A 44 2.437 -1.533 1.010 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.605 -2.964 1.527 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.965 -1.125 0.922 1.00 1.00 C ATOM 0 H LEU A 44 4.519 -1.994 0.192 1.00 1.00 H new ATOM 0 HA LEU A 44 5.105 0.257 1.343 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.922 -0.665 2.906 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.954 0.467 1.569 1.00 1.00 H new ATOM 0 HG LEU A 44 2.840 -1.507 -0.003 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.031 -3.647 0.900 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.659 -3.241 1.495 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.245 -3.024 2.554 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.424 -1.845 0.307 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.533 -1.105 1.922 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.888 -0.135 0.474 1.00 1.00 H new ATOM 702 N LYS A 45 5.486 -2.005 3.666 1.00 1.00 N ATOM 703 CA LYS A 45 6.096 -2.258 4.960 1.00 1.00 C ATOM 704 C LYS A 45 7.586 -1.917 4.892 1.00 1.00 C ATOM 705 O LYS A 45 8.296 -2.017 5.892 1.00 1.00 O ATOM 706 CB LYS A 45 5.814 -3.692 5.414 1.00 1.00 C ATOM 707 CG LYS A 45 6.206 -4.698 4.330 1.00 1.00 C ATOM 708 CD LYS A 45 5.008 -5.556 3.919 1.00 1.00 C ATOM 709 CE LYS A 45 5.181 -7.001 4.389 1.00 1.00 C ATOM 710 NZ LYS A 45 6.249 -7.673 3.615 1.00 1.00 N ATOM 0 H LYS A 45 5.124 -2.834 3.196 1.00 1.00 H new ATOM 0 HA LYS A 45 5.655 -1.614 5.721 1.00 1.00 H new ATOM 0 HB2 LYS A 45 6.368 -3.903 6.329 1.00 1.00 H new ATOM 0 HB3 LYS A 45 4.756 -3.801 5.650 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.594 -4.168 3.460 1.00 1.00 H new ATOM 0 HG3 LYS A 45 7.008 -5.339 4.696 1.00 1.00 H new ATOM 0 HD2 LYS A 45 4.095 -5.139 4.343 1.00 1.00 H new ATOM 0 HD3 LYS A 45 4.895 -5.534 2.835 1.00 1.00 H new ATOM 0 HE2 LYS A 45 5.428 -7.017 5.451 1.00 1.00 H new ATOM 0 HE3 LYS A 45 4.243 -7.543 4.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 6.156 -8.704 3.717 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 6.164 -7.416 2.611 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.178 -7.372 3.972 1.00 1.00 H new ATOM 724 N SER A 46 8.016 -1.521 3.703 1.00 1.00 N ATOM 725 CA SER A 46 9.409 -1.164 3.492 1.00 1.00 C ATOM 726 C SER A 46 9.628 0.312 3.830 1.00 1.00 C ATOM 727 O SER A 46 9.808 1.138 2.936 1.00 1.00 O ATOM 728 CB SER A 46 9.837 -1.447 2.050 1.00 1.00 C ATOM 729 OG SER A 46 11.255 -1.496 1.915 1.00 1.00 O ATOM 0 H SER A 46 7.425 -1.439 2.876 1.00 1.00 H new ATOM 0 HA SER A 46 10.023 -1.776 4.152 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.409 -2.395 1.724 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.437 -0.674 1.394 1.00 1.00 H new ATOM 0 HG SER A 46 11.487 -1.835 1.025 1.00 1.00 H new ATOM 735 N ILE A 47 9.606 0.599 5.123 1.00 1.00 N ATOM 736 CA ILE A 47 9.801 1.961 5.591 1.00 1.00 C ATOM 737 C ILE A 47 10.892 2.632 4.754 1.00 1.00 C ATOM 738 O ILE A 47 10.649 3.657 4.119 1.00 1.00 O ATOM 739 CB ILE A 47 10.082 1.976 7.095 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.038 2.811 7.839 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.508 2.453 7.381 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.620 2.403 7.436 1.00 1.00 C ATOM 0 H ILE A 47 9.456 -0.088 5.862 1.00 1.00 H new ATOM 0 HA ILE A 47 8.891 2.545 5.455 1.00 1.00 H new ATOM 0 HB ILE A 47 10.003 0.955 7.468 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.165 2.684 8.914 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.191 3.868 7.622 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.682 2.455 8.457 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.219 1.782 6.899 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.639 3.462 6.991 1.00 1.00 H new ATOM 0 HD11 ILE A 47 6.898 3.012 7.980 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.489 2.554 6.365 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.462 1.352 7.676 1.00 1.00 H new ATOM 754 N MET A 48 12.070 2.026 4.780 1.00 1.00 N ATOM 755 CA MET A 48 13.198 2.553 4.032 1.00 1.00 C ATOM 756 C MET A 48 12.756 3.064 2.659 1.00 1.00 C ATOM 757 O MET A 48 12.754 4.269 2.413 1.00 1.00 O ATOM 758 CB MET A 48 14.249 1.455 3.854 1.00 1.00 C ATOM 759 CG MET A 48 13.606 0.068 3.896 1.00 1.00 C ATOM 760 SD MET A 48 14.475 -1.042 2.801 1.00 1.00 S ATOM 761 CE MET A 48 14.062 -0.310 1.226 1.00 1.00 C ATOM 0 H MET A 48 12.267 1.175 5.307 1.00 1.00 H new ATOM 0 HA MET A 48 13.622 3.388 4.590 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.765 1.592 2.904 1.00 1.00 H new ATOM 0 HB3 MET A 48 15.000 1.535 4.640 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.628 -0.321 4.914 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.558 0.135 3.603 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.259 -1.027 0.429 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.006 -0.038 1.217 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.668 0.583 1.070 1.00 1.00 H new ATOM 771 N GLY A 49 12.392 2.122 1.802 1.00 1.00 N ATOM 772 CA GLY A 49 11.949 2.462 0.461 1.00 1.00 C ATOM 773 C GLY A 49 10.765 3.430 0.503 1.00 1.00 C ATOM 774 O GLY A 49 10.776 4.460 -0.168 1.00 1.00 O ATOM 0 H GLY A 49 12.395 1.123 2.010 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.772 2.912 -0.094 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.663 1.555 -0.072 1.00 1.00 H new ATOM 778 N VAL A 50 9.771 3.063 1.300 1.00 1.00 N ATOM 779 CA VAL A 50 8.582 3.886 1.439 1.00 1.00 C ATOM 780 C VAL A 50 8.977 5.257 1.992 1.00 1.00 C ATOM 781 O VAL A 50 8.579 6.287 1.450 1.00 1.00 O ATOM 782 CB VAL A 50 7.546 3.167 2.306 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.061 4.070 3.442 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.372 2.671 1.460 1.00 1.00 C ATOM 0 H VAL A 50 9.765 2.207 1.855 1.00 1.00 H new ATOM 0 HA VAL A 50 8.116 4.050 0.468 1.00 1.00 H new ATOM 0 HB VAL A 50 8.028 2.297 2.752 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.326 3.535 4.043 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.907 4.352 4.069 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.605 4.967 3.024 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.651 2.164 2.101 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.891 3.519 0.972 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.737 1.976 0.703 1.00 1.00 H new ATOM 794 N MET A 51 9.754 5.225 3.065 1.00 1.00 N ATOM 795 CA MET A 51 10.207 6.452 3.697 1.00 1.00 C ATOM 796 C MET A 51 10.589 7.500 2.650 1.00 1.00 C ATOM 797 O MET A 51 10.060 8.611 2.658 1.00 1.00 O ATOM 798 CB MET A 51 11.417 6.152 4.584 1.00 1.00 C ATOM 799 CG MET A 51 10.978 5.723 5.985 1.00 1.00 C ATOM 800 SD MET A 51 10.042 7.032 6.759 1.00 1.00 S ATOM 801 CE MET A 51 10.712 8.444 5.896 1.00 1.00 C ATOM 0 H MET A 51 10.081 4.369 3.512 1.00 1.00 H new ATOM 0 HA MET A 51 9.392 6.850 4.301 1.00 1.00 H new ATOM 0 HB2 MET A 51 12.018 5.364 4.130 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.050 7.037 4.653 1.00 1.00 H new ATOM 0 HG2 MET A 51 10.373 4.819 5.924 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.851 5.482 6.591 1.00 1.00 H new ATOM 0 HE1 MET A 51 10.567 9.341 6.498 1.00 1.00 H new ATOM 0 HE2 MET A 51 11.777 8.292 5.722 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.201 8.562 4.940 1.00 1.00 H new ATOM 811 N SER A 52 11.503 7.110 1.774 1.00 1.00 N ATOM 812 CA SER A 52 11.961 8.002 0.723 1.00 1.00 C ATOM 813 C SER A 52 10.782 8.422 -0.158 1.00 1.00 C ATOM 814 O SER A 52 10.825 9.470 -0.801 1.00 1.00 O ATOM 815 CB SER A 52 13.049 7.341 -0.126 1.00 1.00 C ATOM 816 OG SER A 52 12.514 6.728 -1.296 1.00 1.00 O ATOM 0 H SER A 52 11.939 6.188 1.771 1.00 1.00 H new ATOM 0 HA SER A 52 12.391 8.888 1.190 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.788 8.088 -0.414 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.569 6.592 0.471 1.00 1.00 H new ATOM 0 HG SER A 52 13.150 6.065 -1.638 1.00 1.00 H new ATOM 822 N LEU A 53 9.757 7.582 -0.159 1.00 1.00 N ATOM 823 CA LEU A 53 8.569 7.853 -0.950 1.00 1.00 C ATOM 824 C LEU A 53 7.566 8.638 -0.103 1.00 1.00 C ATOM 825 O LEU A 53 7.594 9.868 -0.083 1.00 1.00 O ATOM 826 CB LEU A 53 8.003 6.554 -1.528 1.00 1.00 C ATOM 827 CG LEU A 53 8.054 6.419 -3.051 1.00 1.00 C ATOM 828 CD1 LEU A 53 9.402 6.894 -3.599 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.731 4.989 -3.486 1.00 1.00 C ATOM 0 H LEU A 53 9.725 6.714 0.375 1.00 1.00 H new ATOM 0 HA LEU A 53 8.817 8.476 -1.809 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.548 5.717 -1.091 1.00 1.00 H new ATOM 0 HB3 LEU A 53 6.965 6.460 -1.209 1.00 1.00 H new ATOM 0 HG LEU A 53 7.287 7.066 -3.477 1.00 1.00 H new ATOM 0 HD11 LEU A 53 9.412 6.787 -4.684 1.00 1.00 H new ATOM 0 HD12 LEU A 53 9.553 7.941 -3.336 1.00 1.00 H new ATOM 0 HD13 LEU A 53 10.202 6.292 -3.168 1.00 1.00 H new ATOM 0 HD21 LEU A 53 7.774 4.921 -4.573 1.00 1.00 H new ATOM 0 HD22 LEU A 53 8.458 4.303 -3.050 1.00 1.00 H new ATOM 0 HD23 LEU A 53 6.731 4.722 -3.145 1.00 1.00 H new ATOM 841 N GLY A 54 6.703 7.896 0.575 1.00 1.00 N ATOM 842 CA GLY A 54 5.693 8.507 1.421 1.00 1.00 C ATOM 843 C GLY A 54 4.870 9.534 0.639 1.00 1.00 C ATOM 844 O GLY A 54 5.405 10.540 0.176 1.00 1.00 O ATOM 0 H GLY A 54 6.683 6.876 0.555 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.034 7.736 1.821 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.171 8.991 2.272 1.00 1.00 H new ATOM 848 N VAL A 55 3.583 9.244 0.517 1.00 1.00 N ATOM 849 CA VAL A 55 2.682 10.130 -0.201 1.00 1.00 C ATOM 850 C VAL A 55 1.858 10.936 0.805 1.00 1.00 C ATOM 851 O VAL A 55 2.102 10.868 2.009 1.00 1.00 O ATOM 852 CB VAL A 55 1.817 9.322 -1.171 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.265 9.542 -2.617 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.834 7.835 -0.812 1.00 1.00 C ATOM 0 H VAL A 55 3.143 8.409 0.903 1.00 1.00 H new ATOM 0 HA VAL A 55 3.246 10.842 -0.804 1.00 1.00 H new ATOM 0 HB VAL A 55 0.790 9.677 -1.080 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.634 8.957 -3.286 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.178 10.599 -2.868 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.303 9.227 -2.728 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.212 7.283 -1.517 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.857 7.461 -0.861 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.446 7.700 0.198 1.00 1.00 H new ATOM 864 N GLY A 56 0.900 11.681 0.275 1.00 1.00 N ATOM 865 CA GLY A 56 0.038 12.500 1.111 1.00 1.00 C ATOM 866 C GLY A 56 -0.709 13.541 0.275 1.00 1.00 C ATOM 867 O GLY A 56 -1.745 13.239 -0.317 1.00 1.00 O ATOM 0 H GLY A 56 0.701 11.735 -0.724 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.678 11.865 1.632 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.634 13.001 1.874 1.00 1.00 H new ATOM 871 N GLN A 57 -0.156 14.744 0.253 1.00 1.00 N ATOM 872 CA GLN A 57 -0.757 15.831 -0.501 1.00 1.00 C ATOM 873 C GLN A 57 -1.380 15.300 -1.793 1.00 1.00 C ATOM 874 O GLN A 57 -0.734 15.294 -2.840 1.00 1.00 O ATOM 875 CB GLN A 57 0.269 16.927 -0.796 1.00 1.00 C ATOM 876 CG GLN A 57 0.066 18.131 0.126 1.00 1.00 C ATOM 877 CD GLN A 57 1.270 19.074 0.069 1.00 1.00 C ATOM 878 OE1 GLN A 57 1.299 20.040 -0.675 1.00 1.00 O ATOM 879 NE2 GLN A 57 2.258 18.741 0.894 1.00 1.00 N ATOM 0 H GLN A 57 0.703 14.991 0.746 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.548 16.274 0.105 1.00 1.00 H new ATOM 0 HB2 GLN A 57 1.276 16.531 -0.667 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.181 17.242 -1.836 1.00 1.00 H new ATOM 0 HG2 GLN A 57 -0.836 18.669 -0.166 1.00 1.00 H new ATOM 0 HG3 GLN A 57 -0.084 17.788 1.150 1.00 1.00 H new ATOM 0 HE21 GLN A 57 2.169 17.919 1.491 1.00 1.00 H new ATOM 0 HE22 GLN A 57 3.105 19.308 0.930 1.00 1.00 H new ATOM 888 N GLY A 58 -2.627 14.867 -1.677 1.00 1.00 N ATOM 889 CA GLY A 58 -3.343 14.335 -2.824 1.00 1.00 C ATOM 890 C GLY A 58 -2.413 13.516 -3.721 1.00 1.00 C ATOM 891 O GLY A 58 -2.733 13.255 -4.879 1.00 1.00 O ATOM 0 H GLY A 58 -3.159 14.874 -0.807 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.169 13.710 -2.484 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.778 15.154 -3.397 1.00 1.00 H new ATOM 895 N SER A 59 -1.279 13.134 -3.151 1.00 1.00 N ATOM 896 CA SER A 59 -0.300 12.350 -3.885 1.00 1.00 C ATOM 897 C SER A 59 -0.967 11.114 -4.490 1.00 1.00 C ATOM 898 O SER A 59 -2.132 10.834 -4.213 1.00 1.00 O ATOM 899 CB SER A 59 0.863 11.937 -2.981 1.00 1.00 C ATOM 900 OG SER A 59 1.378 13.038 -2.237 1.00 1.00 O ATOM 0 H SER A 59 -1.017 13.353 -2.190 1.00 1.00 H new ATOM 0 HA SER A 59 0.101 12.968 -4.688 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.530 11.159 -2.294 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.659 11.506 -3.588 1.00 1.00 H new ATOM 0 HG SER A 59 2.212 12.773 -1.795 1.00 1.00 H new ATOM 906 N ASP A 60 -0.199 10.406 -5.306 1.00 1.00 N ATOM 907 CA ASP A 60 -0.701 9.206 -5.953 1.00 1.00 C ATOM 908 C ASP A 60 0.334 8.087 -5.816 1.00 1.00 C ATOM 909 O ASP A 60 1.536 8.347 -5.800 1.00 1.00 O ATOM 910 CB ASP A 60 -0.944 9.445 -7.445 1.00 1.00 C ATOM 911 CG ASP A 60 0.321 9.604 -8.289 1.00 1.00 C ATOM 912 OD1 ASP A 60 1.044 8.594 -8.425 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.538 10.733 -8.780 1.00 1.00 O ATOM 0 H ASP A 60 0.767 10.641 -5.534 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.641 8.933 -5.474 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.524 8.612 -7.841 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.554 10.341 -7.559 1.00 1.00 H new ATOM 918 N VAL A 61 -0.171 6.866 -5.721 1.00 1.00 N ATOM 919 CA VAL A 61 0.694 5.707 -5.586 1.00 1.00 C ATOM 920 C VAL A 61 0.020 4.494 -6.230 1.00 1.00 C ATOM 921 O VAL A 61 -1.098 4.596 -6.734 1.00 1.00 O ATOM 922 CB VAL A 61 1.044 5.484 -4.114 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.877 6.645 -3.566 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.218 5.271 -3.276 1.00 1.00 C ATOM 0 H VAL A 61 -1.169 6.654 -5.735 1.00 1.00 H new ATOM 0 HA VAL A 61 1.636 5.871 -6.109 1.00 1.00 H new ATOM 0 HB VAL A 61 1.647 4.578 -4.047 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.112 6.461 -2.518 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.802 6.730 -4.136 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.311 7.572 -3.654 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.060 5.115 -2.234 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.859 6.149 -3.353 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.755 4.397 -3.643 1.00 1.00 H new ATOM 934 N THR A 62 0.727 3.375 -6.194 1.00 1.00 N ATOM 935 CA THR A 62 0.211 2.144 -6.768 1.00 1.00 C ATOM 936 C THR A 62 0.456 0.969 -5.819 1.00 1.00 C ATOM 937 O THR A 62 1.586 0.738 -5.391 1.00 1.00 O ATOM 938 CB THR A 62 0.853 1.958 -8.144 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.109 2.490 -9.051 1.00 1.00 O ATOM 940 CG2 THR A 62 0.966 0.485 -8.543 1.00 1.00 C ATOM 0 H THR A 62 1.654 3.295 -5.776 1.00 1.00 H new ATOM 0 HA THR A 62 -0.870 2.193 -6.902 1.00 1.00 H new ATOM 0 HB THR A 62 1.844 2.412 -8.146 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.329 3.121 -9.659 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.428 0.409 -9.527 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.579 -0.044 -7.813 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.028 0.039 -8.574 1.00 1.00 H new ATOM 948 N ILE A 63 -0.621 0.258 -5.519 1.00 1.00 N ATOM 949 CA ILE A 63 -0.536 -0.888 -4.629 1.00 1.00 C ATOM 950 C ILE A 63 -0.463 -2.170 -5.460 1.00 1.00 C ATOM 951 O ILE A 63 -0.869 -2.185 -6.621 1.00 1.00 O ATOM 952 CB ILE A 63 -1.690 -0.872 -3.624 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.171 -1.003 -2.191 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.725 -1.948 -3.960 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.127 0.360 -1.497 1.00 1.00 C ATOM 0 H ILE A 63 -1.556 0.453 -5.876 1.00 1.00 H new ATOM 0 HA ILE A 63 0.376 -0.841 -4.034 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.193 0.092 -3.697 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.813 -1.681 -1.628 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.174 -1.443 -2.200 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.534 -1.915 -3.230 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.127 -1.767 -4.957 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.252 -2.929 -3.932 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.755 0.239 -0.480 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.465 1.028 -2.048 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.130 0.786 -1.468 1.00 1.00 H new ATOM 967 N THR A 64 0.058 -3.214 -4.833 1.00 1.00 N ATOM 968 CA THR A 64 0.191 -4.498 -5.501 1.00 1.00 C ATOM 969 C THR A 64 -0.140 -5.638 -4.535 1.00 1.00 C ATOM 970 O THR A 64 0.147 -5.549 -3.343 1.00 1.00 O ATOM 971 CB THR A 64 1.603 -4.585 -6.083 1.00 1.00 C ATOM 972 OG1 THR A 64 1.866 -3.266 -6.554 1.00 1.00 O ATOM 973 CG2 THR A 64 1.664 -5.450 -7.344 1.00 1.00 C ATOM 0 H THR A 64 0.393 -3.197 -3.870 1.00 1.00 H new ATOM 0 HA THR A 64 -0.520 -4.592 -6.322 1.00 1.00 H new ATOM 0 HB THR A 64 2.281 -4.990 -5.332 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.763 -3.232 -6.946 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.688 -5.479 -7.716 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.336 -6.462 -7.107 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.012 -5.026 -8.108 1.00 1.00 H new ATOM 981 N VAL A 65 -0.739 -6.683 -5.087 1.00 1.00 N ATOM 982 CA VAL A 65 -1.111 -7.839 -4.289 1.00 1.00 C ATOM 983 C VAL A 65 -0.935 -9.108 -5.125 1.00 1.00 C ATOM 984 O VAL A 65 -1.488 -9.218 -6.218 1.00 1.00 O ATOM 985 CB VAL A 65 -2.534 -7.669 -3.753 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.568 -8.084 -4.802 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.728 -8.451 -2.453 1.00 1.00 C ATOM 0 H VAL A 65 -0.976 -6.753 -6.077 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.459 -7.929 -3.420 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.685 -6.612 -3.533 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.571 -7.954 -4.396 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.453 -7.464 -5.691 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.417 -9.130 -5.067 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.748 -8.313 -2.094 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.548 -9.510 -2.635 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.027 -8.088 -1.702 1.00 1.00 H new ATOM 997 N ASP A 66 -0.163 -10.036 -4.579 1.00 1.00 N ATOM 998 CA ASP A 66 0.093 -11.293 -5.261 1.00 1.00 C ATOM 999 C ASP A 66 0.087 -12.433 -4.240 1.00 1.00 C ATOM 1000 O ASP A 66 0.617 -12.288 -3.139 1.00 1.00 O ATOM 1001 CB ASP A 66 1.461 -11.280 -5.946 1.00 1.00 C ATOM 1002 CG ASP A 66 2.316 -12.526 -5.707 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.741 -13.633 -5.786 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.526 -12.344 -5.451 1.00 1.00 O ATOM 0 H ASP A 66 0.294 -9.942 -3.672 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.685 -11.433 -6.012 1.00 1.00 H new ATOM 0 HB2 ASP A 66 1.312 -11.160 -7.019 1.00 1.00 H new ATOM 0 HB3 ASP A 66 2.015 -10.406 -5.602 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.519 -13.541 -4.641 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.601 -14.705 -3.774 1.00 1.00 C ATOM 1011 C GLY A 67 -2.055 -15.137 -3.574 1.00 1.00 C ATOM 1012 O GLY A 67 -2.867 -15.042 -4.493 1.00 1.00 O ATOM 0 H GLY A 67 -0.958 -13.658 -5.554 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -0.030 -15.526 -4.207 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.149 -14.477 -2.809 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.338 -15.604 -2.367 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.680 -16.052 -2.034 1.00 1.00 C ATOM 1018 C ALA A 68 -4.494 -14.866 -1.513 1.00 1.00 C ATOM 1019 O ALA A 68 -5.604 -14.616 -1.982 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.600 -17.195 -1.020 1.00 1.00 C ATOM 0 H ALA A 68 -1.661 -15.682 -1.608 1.00 1.00 H new ATOM 0 HA ALA A 68 -4.187 -16.437 -2.919 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.606 -17.531 -0.770 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.037 -18.024 -1.449 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -3.100 -16.846 -0.117 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.912 -14.167 -0.550 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.570 -13.014 0.040 1.00 1.00 C ATOM 1028 C ASP A 69 -4.938 -12.021 -1.066 1.00 1.00 C ATOM 1029 O ASP A 69 -5.950 -11.328 -0.970 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.646 -12.298 1.028 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.022 -12.467 2.501 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.689 -13.538 3.053 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.633 -11.521 3.043 1.00 1.00 O ATOM 0 H ASP A 69 -2.992 -14.377 -0.163 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.458 -13.365 0.565 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.630 -12.665 0.883 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.638 -11.234 0.790 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.098 -11.986 -2.089 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.322 -11.090 -3.211 1.00 1.00 C ATOM 1040 C GLU A 70 -5.667 -10.377 -3.060 1.00 1.00 C ATOM 1041 O GLU A 70 -5.710 -9.173 -2.809 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.249 -11.846 -4.539 1.00 1.00 C ATOM 1043 CG GLU A 70 -5.044 -13.152 -4.471 1.00 1.00 C ATOM 1044 CD GLU A 70 -6.305 -13.072 -5.334 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.684 -11.932 -5.681 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -6.862 -14.152 -5.627 1.00 1.00 O ATOM 0 H GLU A 70 -3.261 -12.564 -2.165 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.532 -10.339 -3.214 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -4.640 -11.219 -5.340 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.209 -12.062 -4.782 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.420 -13.980 -4.808 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.319 -13.361 -3.437 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.732 -11.149 -3.218 1.00 1.00 N ATOM 1054 CA ALA A 71 -8.075 -10.606 -3.102 1.00 1.00 C ATOM 1055 C ALA A 71 -8.207 -9.866 -1.770 1.00 1.00 C ATOM 1056 O ALA A 71 -8.231 -8.636 -1.738 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.097 -11.735 -3.246 1.00 1.00 C ATOM 0 H ALA A 71 -6.692 -12.147 -3.426 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.269 -9.888 -3.899 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.104 -11.327 -3.159 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.980 -12.209 -4.221 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.936 -12.474 -2.461 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.290 -10.646 -0.702 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.419 -10.080 0.630 1.00 1.00 C ATOM 1065 C GLU A 72 -7.352 -9.007 0.857 1.00 1.00 C ATOM 1066 O GLU A 72 -7.660 -7.908 1.317 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.336 -11.170 1.700 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.065 -12.538 1.069 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.866 -13.608 2.144 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -7.251 -13.267 3.177 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -8.333 -14.743 1.908 1.00 1.00 O ATOM 0 H GLU A 72 -8.270 -11.665 -0.732 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.400 -9.612 0.710 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.544 -10.929 2.409 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.269 -11.204 2.263 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.898 -12.816 0.424 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.178 -12.482 0.438 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.121 -9.363 0.524 1.00 1.00 N ATOM 1079 CA GLY A 73 -5.006 -8.444 0.685 1.00 1.00 C ATOM 1080 C GLY A 73 -5.355 -7.058 0.139 1.00 1.00 C ATOM 1081 O GLY A 73 -5.689 -6.152 0.901 1.00 1.00 O ATOM 0 H GLY A 73 -5.870 -10.275 0.143 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.742 -8.368 1.740 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.131 -8.834 0.165 1.00 1.00 H new ATOM 1085 N MET A 74 -5.266 -6.937 -1.178 1.00 1.00 N ATOM 1086 CA MET A 74 -5.567 -5.676 -1.835 1.00 1.00 C ATOM 1087 C MET A 74 -6.973 -5.192 -1.474 1.00 1.00 C ATOM 1088 O MET A 74 -7.214 -3.990 -1.379 1.00 1.00 O ATOM 1089 CB MET A 74 -5.462 -5.853 -3.351 1.00 1.00 C ATOM 1090 CG MET A 74 -6.339 -7.012 -3.830 1.00 1.00 C ATOM 1091 SD MET A 74 -7.553 -6.418 -4.996 1.00 1.00 S ATOM 1092 CE MET A 74 -9.027 -6.535 -3.995 1.00 1.00 C ATOM 0 H MET A 74 -4.990 -7.691 -1.807 1.00 1.00 H new ATOM 0 HA MET A 74 -4.848 -4.930 -1.496 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.765 -4.933 -3.850 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.424 -6.039 -3.628 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.720 -7.779 -4.296 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.837 -7.478 -2.980 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.892 -6.693 -4.639 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.932 -7.372 -3.303 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.158 -5.612 -3.431 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.864 -6.153 -1.282 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.239 -5.840 -0.933 1.00 1.00 C ATOM 1104 C ALA A 75 -9.252 -4.781 0.171 1.00 1.00 C ATOM 1105 O ALA A 75 -9.892 -3.740 0.030 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.966 -7.122 -0.520 1.00 1.00 C ATOM 0 H ALA A 75 -7.660 -7.149 -1.362 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.768 -5.427 -1.792 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.998 -6.887 -0.258 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.954 -7.830 -1.349 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.465 -7.563 0.341 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.538 -5.083 1.245 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.459 -4.170 2.373 1.00 1.00 C ATOM 1114 C ALA A 76 -7.776 -2.875 1.928 1.00 1.00 C ATOM 1115 O ALA A 76 -8.349 -1.793 2.050 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.724 -4.849 3.530 1.00 1.00 C ATOM 0 H ALA A 76 -8.009 -5.947 1.358 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.457 -3.912 2.728 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.665 -4.164 4.376 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.265 -5.747 3.828 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.717 -5.121 3.212 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.562 -3.028 1.421 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.795 -1.885 0.958 1.00 1.00 C ATOM 1124 C ILE A 77 -6.684 -1.000 0.082 1.00 1.00 C ATOM 1125 O ILE A 77 -6.846 0.188 0.355 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.512 -2.346 0.263 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.305 -2.209 1.194 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.305 -1.600 -1.057 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.272 -0.827 1.850 1.00 1.00 C ATOM 0 H ILE A 77 -6.090 -3.927 1.321 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.472 -1.277 1.803 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.615 -3.404 0.022 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.346 -2.980 1.964 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.386 -2.370 0.630 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.386 -1.946 -1.531 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.149 -1.791 -1.719 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.232 -0.530 -0.863 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.405 -0.756 2.506 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.207 -0.060 1.079 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.181 -0.679 2.433 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.238 -1.614 -0.953 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.108 -0.898 -1.871 1.00 1.00 C ATOM 1143 C VAL A 78 -9.212 -0.197 -1.078 1.00 1.00 C ATOM 1144 O VAL A 78 -9.333 1.027 -1.123 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.650 -1.856 -2.934 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.295 -1.086 -4.088 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.550 -2.790 -3.443 1.00 1.00 C ATOM 0 H VAL A 78 -7.101 -2.600 -1.176 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.551 -0.127 -2.403 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.421 -2.470 -2.470 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.672 -1.790 -4.830 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.120 -0.484 -3.707 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.553 -0.435 -4.550 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -7.962 -3.460 -4.197 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.746 -2.200 -3.882 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.157 -3.376 -2.612 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.991 -1.002 -0.370 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.081 -0.474 0.432 1.00 1.00 C ATOM 1159 C GLU A 79 -10.563 0.598 1.393 1.00 1.00 C ATOM 1160 O GLU A 79 -11.141 1.679 1.493 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.795 -1.593 1.192 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.139 -1.928 0.541 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.297 -1.647 1.501 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.757 -0.485 1.509 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -14.696 -2.600 2.203 1.00 1.00 O ATOM 0 H GLU A 79 -9.889 -2.016 -0.335 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.808 -0.013 -0.237 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.165 -2.482 1.213 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.954 -1.291 2.227 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.264 -1.339 -0.368 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.153 -2.977 0.246 1.00 1.00 H new ATOM 1172 N THR A 80 -9.479 0.261 2.076 1.00 1.00 N ATOM 1173 CA THR A 80 -8.876 1.181 3.025 1.00 1.00 C ATOM 1174 C THR A 80 -8.445 2.468 2.320 1.00 1.00 C ATOM 1175 O THR A 80 -8.759 3.566 2.778 1.00 1.00 O ATOM 1176 CB THR A 80 -7.723 0.454 3.721 1.00 1.00 C ATOM 1177 OG1 THR A 80 -8.063 0.508 5.104 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.405 1.225 3.631 1.00 1.00 C ATOM 0 H THR A 80 -9.003 -0.637 1.991 1.00 1.00 H new ATOM 0 HA THR A 80 -9.592 1.489 3.787 1.00 1.00 H new ATOM 0 HB THR A 80 -7.597 -0.534 3.277 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.369 0.058 5.629 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.621 0.665 4.140 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.133 1.360 2.584 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.521 2.200 4.104 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.733 2.291 1.217 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.256 3.426 0.444 1.00 1.00 C ATOM 1188 C LEU A 81 -8.385 4.448 0.297 1.00 1.00 C ATOM 1189 O LEU A 81 -8.176 5.642 0.502 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.672 2.957 -0.890 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.249 2.396 -0.840 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.289 3.263 -1.656 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.778 2.225 0.606 1.00 1.00 C ATOM 0 H LEU A 81 -7.475 1.379 0.840 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.439 3.926 0.965 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.329 2.191 -1.302 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.686 3.796 -1.585 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.256 1.406 -1.296 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.285 2.842 -1.604 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.617 3.290 -2.695 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.280 4.275 -1.252 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.764 1.825 0.614 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.790 3.192 1.109 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.444 1.536 1.126 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.556 3.941 -0.059 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.718 4.794 -0.236 1.00 1.00 C ATOM 1207 C GLN A 82 -11.547 4.837 1.049 1.00 1.00 C ATOM 1208 O GLN A 82 -12.421 5.689 1.200 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.566 4.327 -1.421 1.00 1.00 C ATOM 1210 CG GLN A 82 -11.688 2.802 -1.440 1.00 1.00 C ATOM 1211 CD GLN A 82 -13.005 2.365 -2.085 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -13.038 1.572 -3.012 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -14.084 2.924 -1.546 1.00 1.00 N ATOM 0 H GLN A 82 -9.725 2.950 -0.230 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.372 5.804 -0.455 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.558 4.774 -1.361 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.117 4.671 -2.353 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.850 2.373 -1.990 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -11.632 2.416 -0.422 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -13.985 3.580 -0.771 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -15.010 2.697 -1.907 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.244 3.906 1.942 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.950 3.826 3.209 1.00 1.00 C ATOM 1224 C LYS A 83 -11.355 4.844 4.185 1.00 1.00 C ATOM 1225 O LYS A 83 -12.085 5.490 4.935 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.942 2.391 3.738 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.409 2.337 5.171 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.549 0.929 5.755 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.517 -0.128 4.650 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.783 -1.472 5.212 1.00 1.00 N ATOM 0 H LYS A 83 -10.519 3.201 1.813 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.000 4.086 3.076 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.952 1.983 3.706 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.325 1.765 3.093 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.361 2.638 5.185 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.953 3.048 5.792 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.742 0.744 6.464 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.484 0.853 6.309 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.261 0.109 3.890 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.545 -0.119 4.158 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.758 -2.178 4.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.057 -1.702 5.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.721 -1.481 5.661 1.00 1.00 H new ATOM 1244 N GLU A 84 -10.035 4.955 4.143 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.334 5.883 5.014 1.00 1.00 C ATOM 1246 C GLU A 84 -9.095 7.210 4.292 1.00 1.00 C ATOM 1247 O GLU A 84 -8.354 8.062 4.781 1.00 1.00 O ATOM 1248 CB GLU A 84 -8.017 5.282 5.508 1.00 1.00 C ATOM 1249 CG GLU A 84 -8.150 3.774 5.727 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.988 3.473 6.972 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.325 4.448 7.678 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -9.271 2.275 7.190 1.00 1.00 O ATOM 0 H GLU A 84 -9.433 4.418 3.519 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.958 6.074 5.887 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.228 5.479 4.782 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.720 5.764 6.440 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.613 3.315 4.853 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.160 3.330 5.834 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.736 7.345 3.140 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.602 8.554 2.346 1.00 1.00 C ATOM 1261 C GLY A 85 -8.141 8.800 1.964 1.00 1.00 C ATOM 1262 O GLY A 85 -7.805 9.853 1.423 1.00 1.00 O ATOM 0 H GLY A 85 -10.350 6.637 2.738 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.208 8.470 1.444 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.983 9.407 2.908 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.310 7.811 2.260 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.893 7.907 1.954 1.00 1.00 C ATOM 1268 C LEU A 86 -5.699 7.869 0.437 1.00 1.00 C ATOM 1269 O LEU A 86 -4.810 8.531 -0.096 1.00 1.00 O ATOM 1270 CB LEU A 86 -5.109 6.827 2.702 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.231 7.313 3.856 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.719 6.135 4.689 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.089 8.192 3.344 1.00 1.00 C ATOM 0 H LEU A 86 -7.591 6.939 2.709 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.492 8.859 2.303 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.818 6.097 3.093 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.476 6.304 1.985 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.842 7.931 4.514 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -3.097 6.508 5.503 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.565 5.586 5.101 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -3.129 5.471 4.057 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.480 8.524 4.185 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.471 7.619 2.652 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.501 9.060 2.829 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.546 7.087 -0.216 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.479 6.954 -1.662 1.00 1.00 C ATOM 1287 C ALA A 87 -7.893 6.781 -2.220 1.00 1.00 C ATOM 1288 O ALA A 87 -8.860 6.720 -1.462 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.562 5.784 -2.025 1.00 1.00 C ATOM 0 H ALA A 87 -7.282 6.539 0.229 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.055 7.852 -2.111 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.512 5.684 -3.109 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.563 5.969 -1.631 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.958 4.864 -1.594 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.969 6.706 -3.540 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.248 6.541 -4.209 1.00 1.00 C ATOM 1297 C GLU A 88 -9.649 5.065 -4.231 1.00 1.00 C ATOM 1298 O GLU A 88 -8.948 4.219 -3.677 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.206 7.119 -5.625 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.929 8.623 -5.595 1.00 1.00 C ATOM 1301 CD GLU A 88 -9.422 9.297 -6.877 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -10.487 8.867 -7.371 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -8.723 10.227 -7.335 1.00 1.00 O ATOM 0 H GLU A 88 -7.165 6.757 -4.165 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.002 7.094 -3.649 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -8.433 6.615 -6.205 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -10.155 6.930 -6.127 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -9.422 9.070 -4.732 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.860 8.797 -5.476 1.00 1.00 H new