USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 55 THR OG1 : rot 96:sc= 0.629 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -0.439 F(o=-0.89,f=0.19) USER MOD Set 2.1: A 12 ASN : amide:sc= -0.122 K(o=-0.18,f=-1.5) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 142:sc= -0.0629 (180deg=-0.891) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000602 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.831 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -0.346 (180deg=-0.521) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0925 X(o=-0.092,f=-0.48) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.6) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.146 F(o=-1.1,f=-0.15) USER MOD Single : A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= 0.167 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.07! C(o=-2.1!,f=-4.1!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.111 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.889 -14.971 6.221 1.00 0.00 N ATOM 2 CA GLY A 1 -3.597 -13.895 5.549 1.00 0.00 C ATOM 3 C GLY A 1 -2.858 -13.459 4.283 1.00 0.00 C ATOM 4 O GLY A 1 -3.416 -13.503 3.188 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.411 -15.249 7.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.812 -15.788 5.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.937 -14.648 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.604 -14.223 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.701 -13.046 6.224 1.00 0.00 H new ATOM 8 N SER A 2 -1.613 -13.047 4.475 1.00 0.00 N ATOM 9 CA SER A 2 -0.792 -12.604 3.362 1.00 0.00 C ATOM 10 C SER A 2 -1.055 -13.480 2.136 1.00 0.00 C ATOM 11 O SER A 2 -1.122 -14.703 2.245 1.00 0.00 O ATOM 12 CB SER A 2 0.693 -12.634 3.727 1.00 0.00 C ATOM 13 OG SER A 2 0.990 -13.654 4.677 1.00 0.00 O ATOM 0 H SER A 2 -1.154 -13.011 5.385 1.00 0.00 H new ATOM 0 HA SER A 2 -1.060 -11.574 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.284 -12.795 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.986 -11.665 4.132 1.00 0.00 H new ATOM 0 HG SER A 2 1.948 -13.641 4.882 1.00 0.00 H new ATOM 19 N ALA A 3 -1.197 -12.819 0.996 1.00 0.00 N ATOM 20 CA ALA A 3 -1.451 -13.524 -0.250 1.00 0.00 C ATOM 21 C ALA A 3 -0.232 -13.389 -1.165 1.00 0.00 C ATOM 22 O ALA A 3 0.050 -14.279 -1.965 1.00 0.00 O ATOM 23 CB ALA A 3 -2.725 -12.976 -0.895 1.00 0.00 C ATOM 0 H ALA A 3 -1.141 -11.804 0.909 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.609 -14.586 -0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.916 -13.504 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.567 -13.120 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.601 -11.912 -1.098 1.00 0.00 H new ATOM 29 N GLY A 4 0.461 -12.269 -1.014 1.00 0.00 N ATOM 30 CA GLY A 4 1.644 -12.007 -1.817 1.00 0.00 C ATOM 31 C GLY A 4 2.194 -10.607 -1.539 1.00 0.00 C ATOM 32 O GLY A 4 1.762 -9.940 -0.600 1.00 0.00 O ATOM 0 H GLY A 4 0.226 -11.533 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.409 -12.752 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.399 -12.102 -2.875 1.00 0.00 H new ATOM 36 N LYS A 5 3.141 -10.202 -2.373 1.00 0.00 N ATOM 37 CA LYS A 5 3.757 -8.893 -2.230 1.00 0.00 C ATOM 38 C LYS A 5 3.111 -7.921 -3.219 1.00 0.00 C ATOM 39 O LYS A 5 2.782 -8.298 -4.342 1.00 0.00 O ATOM 40 CB LYS A 5 5.277 -8.997 -2.372 1.00 0.00 C ATOM 41 CG LYS A 5 5.678 -9.192 -3.836 1.00 0.00 C ATOM 42 CD LYS A 5 7.102 -9.741 -3.945 1.00 0.00 C ATOM 43 CE LYS A 5 8.042 -8.704 -4.562 1.00 0.00 C ATOM 44 NZ LYS A 5 8.172 -8.924 -6.020 1.00 0.00 N ATOM 0 H LYS A 5 3.497 -10.758 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 5 3.581 -8.496 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.745 -8.094 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.645 -9.832 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.982 -9.878 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.609 -8.242 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.464 -10.023 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.102 -10.645 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.661 -7.701 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.022 -8.767 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.814 -8.211 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.557 -9.874 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.237 -8.841 -6.468 1.00 0.00 H new ATOM 58 N PHE A 6 2.949 -6.687 -2.764 1.00 0.00 N ATOM 59 CA PHE A 6 2.348 -5.656 -3.594 1.00 0.00 C ATOM 60 C PHE A 6 3.212 -4.394 -3.612 1.00 0.00 C ATOM 61 O PHE A 6 4.135 -4.258 -2.810 1.00 0.00 O ATOM 62 CB PHE A 6 0.989 -5.321 -2.977 1.00 0.00 C ATOM 63 CG PHE A 6 -0.052 -6.431 -3.124 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.158 -7.642 -2.542 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.189 -6.208 -3.836 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.809 -8.673 -2.679 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.157 -7.239 -3.972 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.946 -8.450 -3.390 1.00 0.00 C ATOM 0 H PHE A 6 3.223 -6.378 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 6 2.252 -6.013 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.126 -5.104 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.605 -4.413 -3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.060 -7.820 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.356 -5.246 -4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.641 -9.635 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.060 -7.061 -4.537 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.681 -9.234 -3.493 1.00 0.00 H new ATOM 78 N ILE A 7 2.883 -3.503 -4.536 1.00 0.00 N ATOM 79 CA ILE A 7 3.618 -2.257 -4.670 1.00 0.00 C ATOM 80 C ILE A 7 2.635 -1.117 -4.943 1.00 0.00 C ATOM 81 O ILE A 7 2.305 -0.841 -6.096 1.00 0.00 O ATOM 82 CB ILE A 7 4.713 -2.391 -5.730 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.995 -3.863 -6.043 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.980 -1.643 -5.307 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.168 -4.001 -7.016 1.00 0.00 C ATOM 0 H ILE A 7 2.117 -3.620 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 7 4.134 -2.018 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 7 4.357 -1.928 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.218 -4.399 -5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.106 -4.324 -6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.743 -1.754 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.751 -0.586 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.350 -2.056 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.348 -5.056 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.932 -3.485 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.061 -3.560 -6.574 1.00 0.00 H new ATOM 97 N VAL A 8 2.194 -0.487 -3.865 1.00 0.00 N ATOM 98 CA VAL A 8 1.255 0.617 -3.974 1.00 0.00 C ATOM 99 C VAL A 8 2.024 1.940 -3.953 1.00 0.00 C ATOM 100 O VAL A 8 3.188 1.977 -3.559 1.00 0.00 O ATOM 101 CB VAL A 8 0.202 0.520 -2.868 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.080 -0.940 -2.506 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.628 1.319 -1.635 1.00 0.00 C ATOM 0 H VAL A 8 2.469 -0.720 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 8 0.718 0.569 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.723 0.955 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.832 -0.981 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.448 -1.468 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.838 -1.412 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.138 1.234 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.571 0.926 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.754 2.367 -1.906 1.00 0.00 H new ATOM 113 N ILE A 9 1.342 2.991 -4.382 1.00 0.00 N ATOM 114 CA ILE A 9 1.947 4.312 -4.418 1.00 0.00 C ATOM 115 C ILE A 9 0.916 5.352 -3.972 1.00 0.00 C ATOM 116 O ILE A 9 -0.288 5.102 -4.029 1.00 0.00 O ATOM 117 CB ILE A 9 2.545 4.590 -5.798 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.067 4.718 -5.720 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.898 5.821 -6.437 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.745 3.369 -5.974 1.00 0.00 C ATOM 0 H ILE A 9 0.376 2.955 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 9 2.781 4.369 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 9 2.326 3.739 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.412 5.446 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.354 5.094 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.341 5.997 -7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.827 5.653 -6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.065 6.691 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.827 3.488 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.416 2.650 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.475 3.007 -6.966 1.00 0.00 H new ATOM 132 N PHE A 10 1.425 6.496 -3.542 1.00 0.00 N ATOM 133 CA PHE A 10 0.564 7.575 -3.088 1.00 0.00 C ATOM 134 C PHE A 10 0.729 8.815 -3.968 1.00 0.00 C ATOM 135 O PHE A 10 1.836 9.129 -4.404 1.00 0.00 O ATOM 136 CB PHE A 10 0.992 7.918 -1.659 1.00 0.00 C ATOM 137 CG PHE A 10 1.186 6.696 -0.757 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.127 6.178 -0.078 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.416 6.129 -0.636 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.308 5.045 0.759 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.596 4.996 0.200 1.00 0.00 C ATOM 142 CZ PHE A 10 1.538 4.478 0.880 1.00 0.00 C ATOM 0 H PHE A 10 2.423 6.700 -3.498 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.479 7.264 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.924 8.482 -1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.242 8.571 -1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.850 6.628 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.256 6.541 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.532 4.634 1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.573 4.545 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.675 3.616 1.516 1.00 0.00 H new ATOM 152 N LYS A 11 -0.388 9.487 -4.202 1.00 0.00 N ATOM 153 CA LYS A 11 -0.382 10.686 -5.023 1.00 0.00 C ATOM 154 C LYS A 11 0.703 11.639 -4.518 1.00 0.00 C ATOM 155 O LYS A 11 1.411 11.328 -3.561 1.00 0.00 O ATOM 156 CB LYS A 11 -1.777 11.312 -5.069 1.00 0.00 C ATOM 157 CG LYS A 11 -2.283 11.626 -3.659 1.00 0.00 C ATOM 158 CD LYS A 11 -3.773 11.971 -3.676 1.00 0.00 C ATOM 159 CE LYS A 11 -4.039 13.215 -4.527 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.472 13.300 -4.886 1.00 0.00 N ATOM 0 H LYS A 11 -1.304 9.224 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.135 10.439 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.750 12.226 -5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.469 10.631 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.112 10.769 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.718 12.460 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.340 11.128 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.122 12.141 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.742 14.109 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.433 13.180 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.635 14.149 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.745 12.455 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.044 13.355 -4.019 1.00 0.00 H new ATOM 174 N ASN A 12 0.801 12.781 -5.183 1.00 0.00 N ATOM 175 CA ASN A 12 1.788 13.781 -4.813 1.00 0.00 C ATOM 176 C ASN A 12 1.138 14.817 -3.894 1.00 0.00 C ATOM 177 O ASN A 12 1.464 16.001 -3.959 1.00 0.00 O ATOM 178 CB ASN A 12 2.321 14.512 -6.048 1.00 0.00 C ATOM 179 CG ASN A 12 3.842 14.662 -5.981 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.456 14.567 -4.932 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.414 14.902 -7.158 1.00 0.00 N ATOM 0 H ASN A 12 0.213 13.036 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 12 2.612 13.273 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.045 13.962 -6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.858 15.496 -6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.425 15.018 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.841 14.970 -7.999 1.00 0.00 H new ATOM 188 N ASP A 13 0.230 14.333 -3.059 1.00 0.00 N ATOM 189 CA ASP A 13 -0.468 15.203 -2.128 1.00 0.00 C ATOM 190 C ASP A 13 -0.288 14.670 -0.705 1.00 0.00 C ATOM 191 O ASP A 13 -0.023 15.436 0.220 1.00 0.00 O ATOM 192 CB ASP A 13 -1.967 15.244 -2.431 1.00 0.00 C ATOM 193 CG ASP A 13 -2.681 16.523 -1.991 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.849 16.686 -0.763 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.044 17.310 -2.893 1.00 0.00 O ATOM 0 H ASP A 13 -0.038 13.350 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.052 16.206 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.109 15.118 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.444 14.394 -1.944 1.00 0.00 H new ATOM 200 N VAL A 14 -0.437 13.360 -0.575 1.00 0.00 N ATOM 201 CA VAL A 14 -0.293 12.715 0.719 1.00 0.00 C ATOM 202 C VAL A 14 0.866 13.361 1.480 1.00 0.00 C ATOM 203 O VAL A 14 1.817 13.850 0.872 1.00 0.00 O ATOM 204 CB VAL A 14 -0.119 11.206 0.535 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.659 10.895 -0.744 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.558 10.579 1.756 1.00 0.00 C ATOM 0 H VAL A 14 -0.656 12.728 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.193 12.855 1.317 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.111 10.764 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.768 9.816 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.119 11.291 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.645 11.356 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.670 9.506 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.540 11.029 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.053 10.755 2.641 1.00 0.00 H new ATOM 216 N SER A 15 0.748 13.344 2.800 1.00 0.00 N ATOM 217 CA SER A 15 1.775 13.922 3.651 1.00 0.00 C ATOM 218 C SER A 15 2.813 12.859 4.015 1.00 0.00 C ATOM 219 O SER A 15 2.703 11.708 3.595 1.00 0.00 O ATOM 220 CB SER A 15 1.165 14.524 4.918 1.00 0.00 C ATOM 221 OG SER A 15 1.272 13.642 6.033 1.00 0.00 O ATOM 0 H SER A 15 -0.043 12.939 3.301 1.00 0.00 H new ATOM 0 HA SER A 15 2.265 14.724 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.665 15.464 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.115 14.757 4.740 1.00 0.00 H new ATOM 0 HG SER A 15 0.873 14.063 6.823 1.00 0.00 H new ATOM 227 N GLU A 16 3.799 13.282 4.792 1.00 0.00 N ATOM 228 CA GLU A 16 4.856 12.380 5.218 1.00 0.00 C ATOM 229 C GLU A 16 4.340 11.429 6.298 1.00 0.00 C ATOM 230 O GLU A 16 4.323 10.214 6.105 1.00 0.00 O ATOM 231 CB GLU A 16 6.076 13.161 5.711 1.00 0.00 C ATOM 232 CG GLU A 16 7.376 12.486 5.267 1.00 0.00 C ATOM 233 CD GLU A 16 8.086 13.316 4.196 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.559 14.417 4.552 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.139 12.831 3.045 1.00 0.00 O ATOM 0 H GLU A 16 3.888 14.237 5.138 1.00 0.00 H new ATOM 0 HA GLU A 16 5.168 11.786 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.041 14.180 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.052 13.232 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.034 12.355 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.159 11.492 4.877 1.00 0.00 H new ATOM 242 N ASP A 17 3.931 12.017 7.414 1.00 0.00 N ATOM 243 CA ASP A 17 3.416 11.236 8.525 1.00 0.00 C ATOM 244 C ASP A 17 2.289 10.328 8.026 1.00 0.00 C ATOM 245 O ASP A 17 2.107 9.223 8.534 1.00 0.00 O ATOM 246 CB ASP A 17 2.844 12.143 9.617 1.00 0.00 C ATOM 247 CG ASP A 17 3.870 12.674 10.619 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.983 13.018 10.164 1.00 0.00 O ATOM 249 OD2 ASP A 17 3.519 12.726 11.817 1.00 0.00 O ATOM 0 H ASP A 17 3.946 13.025 7.572 1.00 0.00 H new ATOM 0 HA ASP A 17 4.239 10.651 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.350 12.991 9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.078 11.592 10.162 1.00 0.00 H new ATOM 254 N LYS A 18 1.561 10.831 7.039 1.00 0.00 N ATOM 255 CA LYS A 18 0.457 10.079 6.466 1.00 0.00 C ATOM 256 C LYS A 18 0.994 8.790 5.841 1.00 0.00 C ATOM 257 O LYS A 18 0.437 7.714 6.052 1.00 0.00 O ATOM 258 CB LYS A 18 -0.336 10.951 5.492 1.00 0.00 C ATOM 259 CG LYS A 18 -1.713 11.298 6.063 1.00 0.00 C ATOM 260 CD LYS A 18 -2.515 12.153 5.080 1.00 0.00 C ATOM 261 CE LYS A 18 -3.320 13.226 5.815 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.067 14.065 4.852 1.00 0.00 N ATOM 0 H LYS A 18 1.714 11.749 6.622 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.249 9.787 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.217 11.867 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.453 10.428 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.260 10.382 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.595 11.834 7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.838 12.625 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.189 11.517 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.014 12.755 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.650 13.850 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.608 14.788 5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.399 14.529 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.720 13.468 4.306 1.00 0.00 H new ATOM 276 N ILE A 19 2.071 8.941 5.083 1.00 0.00 N ATOM 277 CA ILE A 19 2.689 7.803 4.425 1.00 0.00 C ATOM 278 C ILE A 19 3.004 6.727 5.466 1.00 0.00 C ATOM 279 O ILE A 19 2.537 5.593 5.355 1.00 0.00 O ATOM 280 CB ILE A 19 3.906 8.249 3.614 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.695 7.990 2.121 1.00 0.00 C ATOM 282 CG2 ILE A 19 5.185 7.589 4.136 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.643 8.845 1.277 1.00 0.00 C ATOM 0 H ILE A 19 2.531 9.835 4.910 1.00 0.00 H new ATOM 0 HA ILE A 19 2.001 7.359 3.705 1.00 0.00 H new ATOM 0 HB ILE A 19 4.025 9.325 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.861 6.935 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.662 8.212 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.035 7.923 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.339 7.868 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.093 6.506 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.472 8.642 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.458 9.900 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.675 8.603 1.531 1.00 0.00 H new ATOM 295 N ARG A 20 3.794 7.119 6.455 1.00 0.00 N ATOM 296 CA ARG A 20 4.177 6.203 7.516 1.00 0.00 C ATOM 297 C ARG A 20 2.933 5.646 8.211 1.00 0.00 C ATOM 298 O ARG A 20 2.939 4.510 8.686 1.00 0.00 O ATOM 299 CB ARG A 20 5.063 6.897 8.552 1.00 0.00 C ATOM 300 CG ARG A 20 6.425 7.258 7.954 1.00 0.00 C ATOM 301 CD ARG A 20 7.074 8.411 8.723 1.00 0.00 C ATOM 302 NE ARG A 20 7.968 9.177 7.826 1.00 0.00 N ATOM 303 CZ ARG A 20 8.654 10.265 8.201 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.552 10.723 9.456 1.00 0.00 N ATOM 305 NH2 ARG A 20 9.442 10.896 7.319 1.00 0.00 N ATOM 0 H ARG A 20 4.179 8.059 6.544 1.00 0.00 H new ATOM 0 HA ARG A 20 4.740 5.388 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.569 7.799 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.202 6.244 9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.079 6.386 7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.304 7.537 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.304 9.067 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.640 8.022 9.569 1.00 0.00 H new ATOM 0 HE ARG A 20 8.068 8.857 6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.952 10.243 10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.075 11.551 9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.519 10.548 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.965 11.724 7.604 1.00 0.00 H new ATOM 319 N GLU A 21 1.896 6.469 8.248 1.00 0.00 N ATOM 320 CA GLU A 21 0.647 6.073 8.876 1.00 0.00 C ATOM 321 C GLU A 21 -0.005 4.934 8.090 1.00 0.00 C ATOM 322 O GLU A 21 -0.122 3.816 8.592 1.00 0.00 O ATOM 323 CB GLU A 21 -0.303 7.264 9.006 1.00 0.00 C ATOM 324 CG GLU A 21 0.067 8.132 10.211 1.00 0.00 C ATOM 325 CD GLU A 21 -1.113 8.263 11.176 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.046 9.022 10.833 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.057 7.602 12.235 1.00 0.00 O ATOM 0 H GLU A 21 1.895 7.409 7.853 1.00 0.00 H new ATOM 0 HA GLU A 21 0.866 5.714 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.267 7.864 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.327 6.907 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.919 7.694 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.374 9.121 9.871 1.00 0.00 H new ATOM 334 N THR A 22 -0.412 5.256 6.872 1.00 0.00 N ATOM 335 CA THR A 22 -1.049 4.274 6.012 1.00 0.00 C ATOM 336 C THR A 22 -0.391 2.903 6.188 1.00 0.00 C ATOM 337 O THR A 22 -1.077 1.884 6.240 1.00 0.00 O ATOM 338 CB THR A 22 -0.992 4.795 4.574 1.00 0.00 C ATOM 339 OG1 THR A 22 -1.801 5.968 4.598 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.704 3.870 3.586 1.00 0.00 C ATOM 0 H THR A 22 -0.313 6.184 6.460 1.00 0.00 H new ATOM 0 HA THR A 22 -2.096 4.134 6.281 1.00 0.00 H new ATOM 0 HB THR A 22 0.049 4.914 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.818 6.372 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.633 4.287 2.581 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.234 2.887 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.753 3.776 3.867 1.00 0.00 H new ATOM 348 N LYS A 23 0.930 2.925 6.274 1.00 0.00 N ATOM 349 CA LYS A 23 1.689 1.696 6.444 1.00 0.00 C ATOM 350 C LYS A 23 1.324 1.058 7.785 1.00 0.00 C ATOM 351 O LYS A 23 0.913 -0.101 7.833 1.00 0.00 O ATOM 352 CB LYS A 23 3.186 1.965 6.278 1.00 0.00 C ATOM 353 CG LYS A 23 3.669 1.534 4.891 1.00 0.00 C ATOM 354 CD LYS A 23 3.401 2.627 3.854 1.00 0.00 C ATOM 355 CE LYS A 23 4.562 3.622 3.794 1.00 0.00 C ATOM 356 NZ LYS A 23 4.506 4.410 2.542 1.00 0.00 N ATOM 0 H LYS A 23 1.495 3.773 6.229 1.00 0.00 H new ATOM 0 HA LYS A 23 1.429 0.977 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.387 3.026 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.743 1.427 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.736 1.314 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.163 0.615 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.254 2.175 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.479 3.153 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.520 4.291 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.510 3.087 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.204 5.179 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.720 3.792 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.554 4.813 2.427 1.00 0.00 H new ATOM 370 N ASP A 24 1.486 1.841 8.842 1.00 0.00 N ATOM 371 CA ASP A 24 1.179 1.366 10.179 1.00 0.00 C ATOM 372 C ASP A 24 -0.239 0.790 10.199 1.00 0.00 C ATOM 373 O ASP A 24 -0.494 -0.221 10.851 1.00 0.00 O ATOM 374 CB ASP A 24 1.240 2.507 11.197 1.00 0.00 C ATOM 375 CG ASP A 24 2.521 2.561 12.032 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.555 2.082 11.517 1.00 0.00 O ATOM 377 OD2 ASP A 24 2.439 3.080 13.166 1.00 0.00 O ATOM 0 H ASP A 24 1.826 2.802 8.798 1.00 0.00 H new ATOM 0 HA ASP A 24 1.915 0.607 10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.130 3.453 10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.388 2.418 11.871 1.00 0.00 H new ATOM 382 N GLU A 25 -1.125 1.461 9.476 1.00 0.00 N ATOM 383 CA GLU A 25 -2.510 1.029 9.402 1.00 0.00 C ATOM 384 C GLU A 25 -2.590 -0.419 8.911 1.00 0.00 C ATOM 385 O GLU A 25 -3.355 -1.218 9.445 1.00 0.00 O ATOM 386 CB GLU A 25 -3.327 1.958 8.502 1.00 0.00 C ATOM 387 CG GLU A 25 -4.662 2.320 9.156 1.00 0.00 C ATOM 388 CD GLU A 25 -4.924 3.826 9.068 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.559 4.405 8.024 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.486 4.362 10.048 1.00 0.00 O ATOM 0 H GLU A 25 -0.910 2.300 8.937 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.938 1.077 10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.759 2.866 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.508 1.474 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.470 1.777 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.656 2.008 10.201 1.00 0.00 H new ATOM 397 N VAL A 26 -1.787 -0.710 7.897 1.00 0.00 N ATOM 398 CA VAL A 26 -1.758 -2.048 7.327 1.00 0.00 C ATOM 399 C VAL A 26 -1.072 -3.000 8.309 1.00 0.00 C ATOM 400 O VAL A 26 -1.507 -4.136 8.483 1.00 0.00 O ATOM 401 CB VAL A 26 -1.084 -2.015 5.954 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.347 -2.553 6.033 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.905 -2.793 4.923 1.00 0.00 C ATOM 0 H VAL A 26 -1.153 -0.044 7.456 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.770 -2.420 7.168 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.034 -0.976 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.804 -2.519 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.928 -1.941 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.329 -3.583 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.405 -2.754 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.999 -3.831 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.896 -2.348 4.837 1.00 0.00 H new ATOM 413 N ILE A 27 -0.009 -2.500 8.923 1.00 0.00 N ATOM 414 CA ILE A 27 0.742 -3.292 9.882 1.00 0.00 C ATOM 415 C ILE A 27 -0.189 -3.733 11.014 1.00 0.00 C ATOM 416 O ILE A 27 -0.110 -4.869 11.480 1.00 0.00 O ATOM 417 CB ILE A 27 1.974 -2.524 10.364 1.00 0.00 C ATOM 418 CG1 ILE A 27 2.860 -2.114 9.185 1.00 0.00 C ATOM 419 CG2 ILE A 27 2.748 -3.329 11.411 1.00 0.00 C ATOM 420 CD1 ILE A 27 3.717 -3.289 8.710 1.00 0.00 C ATOM 0 H ILE A 27 0.350 -1.557 8.775 1.00 0.00 H new ATOM 0 HA ILE A 27 1.124 -4.198 9.411 1.00 0.00 H new ATOM 0 HB ILE A 27 1.637 -1.607 10.848 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.238 -1.758 8.364 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.504 -1.285 9.480 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.619 -2.760 11.737 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.103 -3.527 12.267 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.074 -4.274 10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.337 -2.972 7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.355 -3.627 9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.070 -4.107 8.393 1.00 0.00 H new ATOM 432 N ALA A 28 -1.050 -2.812 11.421 1.00 0.00 N ATOM 433 CA ALA A 28 -1.995 -3.091 12.489 1.00 0.00 C ATOM 434 C ALA A 28 -3.200 -3.838 11.915 1.00 0.00 C ATOM 435 O ALA A 28 -3.971 -4.444 12.658 1.00 0.00 O ATOM 436 CB ALA A 28 -2.393 -1.782 13.175 1.00 0.00 C ATOM 0 H ALA A 28 -1.113 -1.872 11.030 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.540 -3.730 13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.102 -1.992 13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.506 -1.305 13.591 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.855 -1.116 12.447 1.00 0.00 H new ATOM 442 N GLU A 29 -3.325 -3.771 10.597 1.00 0.00 N ATOM 443 CA GLU A 29 -4.423 -4.434 9.915 1.00 0.00 C ATOM 444 C GLU A 29 -4.059 -5.890 9.612 1.00 0.00 C ATOM 445 O GLU A 29 -4.653 -6.810 10.172 1.00 0.00 O ATOM 446 CB GLU A 29 -4.805 -3.687 8.636 1.00 0.00 C ATOM 447 CG GLU A 29 -6.104 -4.238 8.045 1.00 0.00 C ATOM 448 CD GLU A 29 -6.542 -3.423 6.826 1.00 0.00 C ATOM 449 OE1 GLU A 29 -5.825 -2.449 6.508 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.583 -3.792 6.242 1.00 0.00 O ATOM 0 H GLU A 29 -2.684 -3.268 9.984 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.291 -4.427 10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.922 -2.625 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.002 -3.777 7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.964 -5.280 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.889 -4.218 8.801 1.00 0.00 H new ATOM 457 N GLY A 30 -3.086 -6.051 8.729 1.00 0.00 N ATOM 458 CA GLY A 30 -2.636 -7.378 8.345 1.00 0.00 C ATOM 459 C GLY A 30 -1.386 -7.301 7.465 1.00 0.00 C ATOM 460 O GLY A 30 -0.355 -7.885 7.794 1.00 0.00 O ATOM 0 H GLY A 30 -2.596 -5.284 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.421 -7.965 9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.432 -7.894 7.808 1.00 0.00 H new ATOM 464 N GLY A 31 -1.520 -6.575 6.365 1.00 0.00 N ATOM 465 CA GLY A 31 -0.415 -6.413 5.436 1.00 0.00 C ATOM 466 C GLY A 31 0.886 -6.108 6.181 1.00 0.00 C ATOM 467 O GLY A 31 0.871 -5.832 7.379 1.00 0.00 O ATOM 0 H GLY A 31 -2.377 -6.092 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.296 -7.321 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.637 -5.605 4.738 1.00 0.00 H new ATOM 471 N THR A 32 1.983 -6.167 5.439 1.00 0.00 N ATOM 472 CA THR A 32 3.291 -5.901 6.014 1.00 0.00 C ATOM 473 C THR A 32 4.130 -5.052 5.057 1.00 0.00 C ATOM 474 O THR A 32 3.700 -4.757 3.942 1.00 0.00 O ATOM 475 CB THR A 32 3.937 -7.243 6.361 1.00 0.00 C ATOM 476 OG1 THR A 32 2.842 -8.154 6.406 1.00 0.00 O ATOM 477 CG2 THR A 32 4.503 -7.269 7.782 1.00 0.00 C ATOM 0 H THR A 32 1.993 -6.395 4.445 1.00 0.00 H new ATOM 0 HA THR A 32 3.209 -5.317 6.931 1.00 0.00 H new ATOM 0 HB THR A 32 4.734 -7.458 5.649 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.171 -9.051 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.950 -8.244 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.262 -6.494 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.700 -7.088 8.497 1.00 0.00 H new ATOM 485 N ILE A 33 5.313 -4.683 5.527 1.00 0.00 N ATOM 486 CA ILE A 33 6.216 -3.873 4.727 1.00 0.00 C ATOM 487 C ILE A 33 7.640 -4.416 4.868 1.00 0.00 C ATOM 488 O ILE A 33 8.133 -4.592 5.980 1.00 0.00 O ATOM 489 CB ILE A 33 6.082 -2.395 5.099 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.615 -2.009 5.293 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.777 -1.505 4.066 1.00 0.00 C ATOM 492 CD1 ILE A 33 3.901 -1.869 3.947 1.00 0.00 C ATOM 0 H ILE A 33 5.667 -4.930 6.451 1.00 0.00 H new ATOM 0 HA ILE A 33 5.952 -3.937 3.671 1.00 0.00 H new ATOM 0 HB ILE A 33 6.585 -2.236 6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.114 -2.765 5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.552 -1.069 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.667 -0.459 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.836 -1.759 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.324 -1.662 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.860 -1.594 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.390 -1.096 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.944 -2.818 3.412 1.00 0.00 H new ATOM 504 N THR A 34 8.259 -4.666 3.723 1.00 0.00 N ATOM 505 CA THR A 34 9.616 -5.185 3.705 1.00 0.00 C ATOM 506 C THR A 34 10.580 -4.137 3.146 1.00 0.00 C ATOM 507 O THR A 34 11.762 -4.131 3.486 1.00 0.00 O ATOM 508 CB THR A 34 9.611 -6.492 2.910 1.00 0.00 C ATOM 509 OG1 THR A 34 10.969 -6.924 2.942 1.00 0.00 O ATOM 510 CG2 THR A 34 9.325 -6.273 1.423 1.00 0.00 C ATOM 0 H THR A 34 7.846 -4.519 2.802 1.00 0.00 H new ATOM 0 HA THR A 34 9.971 -5.402 4.713 1.00 0.00 H new ATOM 0 HB THR A 34 8.864 -7.167 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.056 -7.767 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.333 -7.232 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.347 -5.806 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.091 -5.625 0.997 1.00 0.00 H new ATOM 518 N ASN A 35 10.040 -3.276 2.296 1.00 0.00 N ATOM 519 CA ASN A 35 10.838 -2.226 1.686 1.00 0.00 C ATOM 520 C ASN A 35 9.929 -1.054 1.310 1.00 0.00 C ATOM 521 O ASN A 35 8.719 -1.224 1.164 1.00 0.00 O ATOM 522 CB ASN A 35 11.520 -2.723 0.408 1.00 0.00 C ATOM 523 CG ASN A 35 13.025 -2.894 0.622 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.691 -2.066 1.222 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.522 -4.010 0.097 1.00 0.00 N ATOM 0 H ASN A 35 9.059 -3.284 2.015 1.00 0.00 H new ATOM 0 HA ASN A 35 11.598 -1.920 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.082 -3.673 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.342 -2.016 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.517 -4.215 0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.908 -4.661 -0.393 1.00 0.00 H new ATOM 532 N GLU A 36 10.546 0.109 1.166 1.00 0.00 N ATOM 533 CA GLU A 36 9.808 1.310 0.810 1.00 0.00 C ATOM 534 C GLU A 36 10.496 2.032 -0.349 1.00 0.00 C ATOM 535 O GLU A 36 11.608 1.674 -0.737 1.00 0.00 O ATOM 536 CB GLU A 36 9.653 2.235 2.018 1.00 0.00 C ATOM 537 CG GLU A 36 10.862 3.163 2.157 1.00 0.00 C ATOM 538 CD GLU A 36 12.125 2.369 2.494 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.049 1.555 3.439 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.140 2.595 1.799 1.00 0.00 O ATOM 0 H GLU A 36 11.549 0.246 1.289 1.00 0.00 H new ATOM 0 HA GLU A 36 8.809 1.017 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.745 2.828 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.541 1.640 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.011 3.714 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.672 3.900 2.938 1.00 0.00 H new ATOM 547 N TYR A 37 9.807 3.036 -0.872 1.00 0.00 N ATOM 548 CA TYR A 37 10.338 3.812 -1.980 1.00 0.00 C ATOM 549 C TYR A 37 10.264 5.311 -1.684 1.00 0.00 C ATOM 550 O TYR A 37 9.175 5.869 -1.553 1.00 0.00 O ATOM 551 CB TYR A 37 9.446 3.497 -3.182 1.00 0.00 C ATOM 552 CG TYR A 37 9.618 2.079 -3.729 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.780 1.730 -4.387 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.611 1.148 -3.565 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.943 0.395 -4.903 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.774 -0.186 -4.081 1.00 0.00 C ATOM 557 CZ TYR A 37 9.932 -0.497 -4.724 1.00 0.00 C ATOM 558 OH TYR A 37 10.085 -1.758 -5.211 1.00 0.00 O ATOM 0 H TYR A 37 8.885 3.330 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 37 11.383 3.560 -2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.404 3.641 -2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.660 4.211 -3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.567 2.458 -4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.702 1.421 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.847 0.109 -5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.994 -0.924 -3.960 1.00 0.00 H new ATOM 0 HH TYR A 37 9.284 -2.286 -5.009 1.00 0.00 H new ATOM 568 N ASN A 38 11.436 5.922 -1.587 1.00 0.00 N ATOM 569 CA ASN A 38 11.518 7.346 -1.310 1.00 0.00 C ATOM 570 C ASN A 38 12.253 8.043 -2.457 1.00 0.00 C ATOM 571 O ASN A 38 13.299 8.655 -2.246 1.00 0.00 O ATOM 572 CB ASN A 38 12.294 7.612 -0.019 1.00 0.00 C ATOM 573 CG ASN A 38 12.052 6.501 1.006 1.00 0.00 C ATOM 574 OD1 ASN A 38 12.839 5.582 1.161 1.00 0.00 O ATOM 575 ND2 ASN A 38 10.921 6.637 1.693 1.00 0.00 N ATOM 0 H ASN A 38 12.337 5.456 -1.695 1.00 0.00 H new ATOM 0 HA ASN A 38 10.503 7.728 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.359 7.683 -0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.991 8.571 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.668 5.947 2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.307 7.431 1.513 1.00 0.00 H new ATOM 582 N MET A 39 11.677 7.927 -3.644 1.00 0.00 N ATOM 583 CA MET A 39 12.265 8.538 -4.823 1.00 0.00 C ATOM 584 C MET A 39 11.754 9.968 -5.012 1.00 0.00 C ATOM 585 O MET A 39 10.662 10.305 -4.557 1.00 0.00 O ATOM 586 CB MET A 39 11.918 7.705 -6.058 1.00 0.00 C ATOM 587 CG MET A 39 12.887 6.530 -6.217 1.00 0.00 C ATOM 588 SD MET A 39 14.344 7.058 -7.102 1.00 0.00 S ATOM 589 CE MET A 39 15.520 5.852 -6.511 1.00 0.00 C ATOM 0 H MET A 39 10.809 7.419 -3.815 1.00 0.00 H new ATOM 0 HA MET A 39 13.346 8.573 -4.690 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.898 7.331 -5.974 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.954 8.334 -6.947 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.167 6.143 -5.237 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.400 5.716 -6.754 1.00 0.00 H new ATOM 0 HE1 MET A 39 16.492 6.037 -6.968 1.00 0.00 H new ATOM 0 HE2 MET A 39 15.608 5.930 -5.427 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.179 4.851 -6.776 1.00 0.00 H new ATOM 599 N PRO A 40 12.588 10.790 -5.703 1.00 0.00 N ATOM 600 CA PRO A 40 12.231 12.175 -5.957 1.00 0.00 C ATOM 601 C PRO A 40 11.169 12.275 -7.055 1.00 0.00 C ATOM 602 O PRO A 40 11.499 12.382 -8.234 1.00 0.00 O ATOM 603 CB PRO A 40 13.538 12.855 -6.333 1.00 0.00 C ATOM 604 CG PRO A 40 14.491 11.739 -6.726 1.00 0.00 C ATOM 605 CD PRO A 40 13.888 10.425 -6.257 1.00 0.00 C ATOM 0 HA PRO A 40 11.780 12.659 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.392 13.552 -7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.934 13.430 -5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.640 11.727 -7.806 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.469 11.894 -6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.783 9.721 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.517 9.946 -5.507 1.00 0.00 H new ATOM 613 N GLY A 41 9.916 12.238 -6.626 1.00 0.00 N ATOM 614 CA GLY A 41 8.804 12.323 -7.556 1.00 0.00 C ATOM 615 C GLY A 41 7.898 11.095 -7.442 1.00 0.00 C ATOM 616 O GLY A 41 6.791 11.085 -7.977 1.00 0.00 O ATOM 0 H GLY A 41 9.647 12.150 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.226 13.225 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.183 12.406 -8.575 1.00 0.00 H new ATOM 620 N MET A 42 8.403 10.091 -6.741 1.00 0.00 N ATOM 621 CA MET A 42 7.653 8.861 -6.550 1.00 0.00 C ATOM 622 C MET A 42 7.684 8.422 -5.084 1.00 0.00 C ATOM 623 O MET A 42 8.754 8.180 -4.527 1.00 0.00 O ATOM 624 CB MET A 42 8.250 7.757 -7.425 1.00 0.00 C ATOM 625 CG MET A 42 7.363 6.510 -7.416 1.00 0.00 C ATOM 626 SD MET A 42 6.823 6.133 -9.075 1.00 0.00 S ATOM 627 CE MET A 42 7.650 4.571 -9.323 1.00 0.00 C ATOM 0 H MET A 42 9.322 10.104 -6.298 1.00 0.00 H new ATOM 0 HA MET A 42 6.617 9.042 -6.835 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.364 8.119 -8.447 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.246 7.501 -7.065 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.914 5.665 -7.003 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.499 6.673 -6.772 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.419 4.191 -10.318 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.727 4.711 -9.229 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.310 3.856 -8.574 1.00 0.00 H new ATOM 637 N LYS A 43 6.497 8.333 -4.501 1.00 0.00 N ATOM 638 CA LYS A 43 6.375 7.929 -3.111 1.00 0.00 C ATOM 639 C LYS A 43 5.518 6.664 -3.026 1.00 0.00 C ATOM 640 O LYS A 43 4.296 6.728 -3.156 1.00 0.00 O ATOM 641 CB LYS A 43 5.849 9.086 -2.260 1.00 0.00 C ATOM 642 CG LYS A 43 6.930 10.148 -2.051 1.00 0.00 C ATOM 643 CD LYS A 43 6.418 11.536 -2.438 1.00 0.00 C ATOM 644 CE LYS A 43 6.934 11.947 -3.818 1.00 0.00 C ATOM 645 NZ LYS A 43 5.941 11.612 -4.864 1.00 0.00 N ATOM 0 H LYS A 43 5.612 8.534 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 43 7.353 7.681 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.982 9.535 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.513 8.709 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.245 10.151 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.808 9.901 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.328 11.538 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.738 12.266 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.139 13.018 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.876 11.440 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.926 12.364 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.200 10.710 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.998 11.526 -4.433 1.00 0.00 H new ATOM 659 N GLY A 44 6.192 5.544 -2.810 1.00 0.00 N ATOM 660 CA GLY A 44 5.507 4.267 -2.706 1.00 0.00 C ATOM 661 C GLY A 44 6.247 3.323 -1.756 1.00 0.00 C ATOM 662 O GLY A 44 7.180 3.735 -1.068 1.00 0.00 O ATOM 0 H GLY A 44 7.205 5.494 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.489 4.424 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.431 3.810 -3.693 1.00 0.00 H new ATOM 666 N PHE A 45 5.803 2.075 -1.749 1.00 0.00 N ATOM 667 CA PHE A 45 6.412 1.069 -0.894 1.00 0.00 C ATOM 668 C PHE A 45 6.030 -0.341 -1.349 1.00 0.00 C ATOM 669 O PHE A 45 5.068 -0.517 -2.095 1.00 0.00 O ATOM 670 CB PHE A 45 5.875 1.299 0.520 1.00 0.00 C ATOM 671 CG PHE A 45 4.481 0.715 0.759 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.343 -0.593 1.104 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.381 1.504 0.627 1.00 0.00 C ATOM 674 CE1 PHE A 45 3.049 -1.136 1.326 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.088 0.962 0.848 1.00 0.00 C ATOM 676 CZ PHE A 45 1.949 -0.347 1.194 1.00 0.00 C ATOM 0 H PHE A 45 5.029 1.737 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 45 7.498 1.153 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.569 0.861 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.847 2.371 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.217 -1.219 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.491 2.543 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.939 -2.175 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.215 1.588 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.965 -0.759 1.364 1.00 0.00 H new ATOM 686 N ALA A 46 6.804 -1.308 -0.881 1.00 0.00 N ATOM 687 CA ALA A 46 6.559 -2.698 -1.230 1.00 0.00 C ATOM 688 C ALA A 46 6.515 -3.540 0.046 1.00 0.00 C ATOM 689 O ALA A 46 7.359 -3.381 0.928 1.00 0.00 O ATOM 690 CB ALA A 46 7.634 -3.176 -2.207 1.00 0.00 C ATOM 0 H ALA A 46 7.601 -1.157 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 46 5.595 -2.804 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.450 -4.218 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.604 -2.565 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.615 -3.086 -1.741 1.00 0.00 H new ATOM 696 N GLY A 47 5.524 -4.417 0.105 1.00 0.00 N ATOM 697 CA GLY A 47 5.361 -5.285 1.259 1.00 0.00 C ATOM 698 C GLY A 47 4.410 -6.442 0.944 1.00 0.00 C ATOM 699 O GLY A 47 4.135 -6.725 -0.221 1.00 0.00 O ATOM 0 H GLY A 47 4.826 -4.545 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.331 -5.679 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.974 -4.710 2.100 1.00 0.00 H new ATOM 703 N GLU A 48 3.934 -7.079 2.004 1.00 0.00 N ATOM 704 CA GLU A 48 3.020 -8.199 1.856 1.00 0.00 C ATOM 705 C GLU A 48 1.578 -7.740 2.082 1.00 0.00 C ATOM 706 O GLU A 48 1.163 -7.522 3.219 1.00 0.00 O ATOM 707 CB GLU A 48 3.388 -9.339 2.808 1.00 0.00 C ATOM 708 CG GLU A 48 3.563 -10.654 2.048 1.00 0.00 C ATOM 709 CD GLU A 48 4.906 -11.307 2.382 1.00 0.00 C ATOM 710 OE1 GLU A 48 5.938 -10.674 2.070 1.00 0.00 O ATOM 711 OE2 GLU A 48 4.870 -12.423 2.943 1.00 0.00 O ATOM 0 H GLU A 48 4.164 -6.841 2.969 1.00 0.00 H new ATOM 0 HA GLU A 48 3.105 -8.579 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.310 -9.094 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.610 -9.452 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.751 -11.335 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.501 -10.469 0.976 1.00 0.00 H new ATOM 718 N LEU A 49 0.853 -7.608 0.980 1.00 0.00 N ATOM 719 CA LEU A 49 -0.534 -7.179 1.044 1.00 0.00 C ATOM 720 C LEU A 49 -1.447 -8.379 0.788 1.00 0.00 C ATOM 721 O LEU A 49 -0.984 -9.519 0.747 1.00 0.00 O ATOM 722 CB LEU A 49 -0.777 -6.006 0.091 1.00 0.00 C ATOM 723 CG LEU A 49 -0.541 -4.610 0.671 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.760 -4.563 1.473 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.577 -3.547 -0.428 1.00 0.00 C ATOM 0 H LEU A 49 1.200 -7.791 0.038 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.771 -6.805 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.131 -6.130 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.806 -6.060 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.353 -4.385 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.904 -3.560 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.707 -5.278 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.597 -4.818 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.407 -2.564 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.201 -3.756 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.551 -3.562 -0.917 1.00 0.00 H new ATOM 737 N THR A 50 -2.727 -8.084 0.620 1.00 0.00 N ATOM 738 CA THR A 50 -3.709 -9.125 0.369 1.00 0.00 C ATOM 739 C THR A 50 -4.910 -8.554 -0.389 1.00 0.00 C ATOM 740 O THR A 50 -4.924 -7.375 -0.738 1.00 0.00 O ATOM 741 CB THR A 50 -4.083 -9.758 1.711 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.245 -9.093 2.653 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.658 -11.224 1.805 1.00 0.00 C ATOM 0 H THR A 50 -3.107 -7.138 0.653 1.00 0.00 H new ATOM 0 HA THR A 50 -3.301 -9.906 -0.272 1.00 0.00 H new ATOM 0 HB THR A 50 -5.160 -9.682 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.423 -9.441 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.947 -11.625 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.147 -11.796 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.577 -11.297 1.689 1.00 0.00 H new ATOM 751 N PRO A 51 -5.914 -9.439 -0.626 1.00 0.00 N ATOM 752 CA PRO A 51 -7.116 -9.036 -1.336 1.00 0.00 C ATOM 753 C PRO A 51 -8.024 -8.194 -0.439 1.00 0.00 C ATOM 754 O PRO A 51 -8.814 -7.388 -0.931 1.00 0.00 O ATOM 755 CB PRO A 51 -7.763 -10.337 -1.784 1.00 0.00 C ATOM 756 CG PRO A 51 -7.155 -11.426 -0.916 1.00 0.00 C ATOM 757 CD PRO A 51 -5.931 -10.845 -0.227 1.00 0.00 C ATOM 0 HA PRO A 51 -6.905 -8.397 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.845 -10.298 -1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.570 -10.526 -2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.878 -11.775 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.878 -12.288 -1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.999 -10.949 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.020 -11.356 -0.539 1.00 0.00 H new ATOM 765 N GLN A 52 -7.884 -8.407 0.861 1.00 0.00 N ATOM 766 CA GLN A 52 -8.683 -7.678 1.831 1.00 0.00 C ATOM 767 C GLN A 52 -8.173 -6.242 1.964 1.00 0.00 C ATOM 768 O GLN A 52 -8.909 -5.291 1.704 1.00 0.00 O ATOM 769 CB GLN A 52 -8.684 -8.388 3.185 1.00 0.00 C ATOM 770 CG GLN A 52 -9.224 -7.472 4.284 1.00 0.00 C ATOM 771 CD GLN A 52 -8.360 -7.556 5.544 1.00 0.00 C ATOM 772 OE1 GLN A 52 -7.054 -7.453 5.312 1.00 0.00 O flip ATOM 773 NE2 GLN A 52 -8.846 -7.705 6.653 1.00 0.00 N flip ATOM 0 H GLN A 52 -7.228 -9.075 1.266 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.713 -7.646 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.293 -9.290 3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.671 -8.704 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.249 -6.443 3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.250 -7.752 4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.858 -7.777 6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.241 -7.758 7.472 1.00 0.00 H new ATOM 782 N SER A 53 -6.917 -6.129 2.370 1.00 0.00 N ATOM 783 CA SER A 53 -6.300 -4.824 2.542 1.00 0.00 C ATOM 784 C SER A 53 -6.495 -3.983 1.279 1.00 0.00 C ATOM 785 O SER A 53 -6.738 -2.780 1.362 1.00 0.00 O ATOM 786 CB SER A 53 -4.810 -4.958 2.866 1.00 0.00 C ATOM 787 OG SER A 53 -4.552 -4.807 4.260 1.00 0.00 O ATOM 0 H SER A 53 -6.309 -6.920 2.585 1.00 0.00 H new ATOM 0 HA SER A 53 -6.783 -4.325 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.453 -5.933 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.249 -4.207 2.310 1.00 0.00 H new ATOM 0 HG SER A 53 -3.624 -5.057 4.450 1.00 0.00 H new ATOM 793 N LEU A 54 -6.380 -4.649 0.139 1.00 0.00 N ATOM 794 CA LEU A 54 -6.540 -3.978 -1.139 1.00 0.00 C ATOM 795 C LEU A 54 -7.894 -3.264 -1.169 1.00 0.00 C ATOM 796 O LEU A 54 -7.951 -2.035 -1.163 1.00 0.00 O ATOM 797 CB LEU A 54 -6.340 -4.964 -2.291 1.00 0.00 C ATOM 798 CG LEU A 54 -5.069 -4.776 -3.122 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.295 -5.197 -4.575 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.552 -3.340 -3.014 1.00 0.00 C ATOM 0 H LEU A 54 -6.178 -5.647 0.074 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.773 -3.214 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.337 -5.974 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.200 -4.893 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.296 -5.428 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.376 -5.053 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.581 -6.248 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.089 -4.590 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.648 -3.233 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.313 -2.651 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.326 -3.112 -1.972 1.00 0.00 H new ATOM 812 N THR A 55 -8.948 -4.065 -1.201 1.00 0.00 N ATOM 813 CA THR A 55 -10.297 -3.525 -1.231 1.00 0.00 C ATOM 814 C THR A 55 -10.393 -2.278 -0.349 1.00 0.00 C ATOM 815 O THR A 55 -11.180 -1.375 -0.628 1.00 0.00 O ATOM 816 CB THR A 55 -11.262 -4.638 -0.817 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.033 -5.669 -1.774 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.727 -4.252 -1.028 1.00 0.00 C ATOM 0 H THR A 55 -8.896 -5.084 -1.207 1.00 0.00 H new ATOM 0 HA THR A 55 -10.569 -3.196 -2.234 1.00 0.00 H new ATOM 0 HB THR A 55 -11.100 -4.887 0.232 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.401 -6.322 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.369 -5.077 -0.718 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.960 -3.368 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.898 -4.035 -2.082 1.00 0.00 H new ATOM 826 N LYS A 56 -9.582 -2.270 0.697 1.00 0.00 N ATOM 827 CA LYS A 56 -9.565 -1.149 1.623 1.00 0.00 C ATOM 828 C LYS A 56 -9.170 0.123 0.869 1.00 0.00 C ATOM 829 O LYS A 56 -10.017 0.972 0.593 1.00 0.00 O ATOM 830 CB LYS A 56 -8.665 -1.457 2.821 1.00 0.00 C ATOM 831 CG LYS A 56 -9.120 -0.685 4.062 1.00 0.00 C ATOM 832 CD LYS A 56 -8.285 0.582 4.256 1.00 0.00 C ATOM 833 CE LYS A 56 -6.813 0.236 4.496 1.00 0.00 C ATOM 834 NZ LYS A 56 -6.435 0.524 5.897 1.00 0.00 N ATOM 0 H LYS A 56 -8.931 -3.022 0.925 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.560 -0.981 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.682 -2.527 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.634 -1.195 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.173 -0.420 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.032 -1.321 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.374 1.219 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.671 1.151 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.640 -0.817 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.183 0.811 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.680 1.239 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.263 0.883 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.096 -0.348 6.351 1.00 0.00 H new ATOM 848 N PHE A 57 -7.886 0.214 0.557 1.00 0.00 N ATOM 849 CA PHE A 57 -7.370 1.368 -0.158 1.00 0.00 C ATOM 850 C PHE A 57 -7.391 1.130 -1.670 1.00 0.00 C ATOM 851 O PHE A 57 -6.589 1.706 -2.404 1.00 0.00 O ATOM 852 CB PHE A 57 -5.922 1.566 0.295 1.00 0.00 C ATOM 853 CG PHE A 57 -5.052 0.314 0.162 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.471 0.013 -1.029 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.861 -0.498 1.237 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.664 -1.149 -1.152 1.00 0.00 C ATOM 857 CE2 PHE A 57 -4.053 -1.660 1.114 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.472 -1.960 -0.077 1.00 0.00 C ATOM 0 H PHE A 57 -7.187 -0.493 0.786 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.985 2.242 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.476 2.370 -0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.919 1.890 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.623 0.658 -1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.323 -0.259 2.183 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.203 -1.389 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.901 -2.305 1.967 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.857 -2.843 -0.170 1.00 0.00 H new ATOM 868 N GLN A 58 -8.315 0.278 -2.089 1.00 0.00 N ATOM 869 CA GLN A 58 -8.450 -0.043 -3.500 1.00 0.00 C ATOM 870 C GLN A 58 -9.360 0.973 -4.192 1.00 0.00 C ATOM 871 O GLN A 58 -8.881 1.944 -4.776 1.00 0.00 O ATOM 872 CB GLN A 58 -8.976 -1.468 -3.690 1.00 0.00 C ATOM 873 CG GLN A 58 -7.887 -2.383 -4.254 1.00 0.00 C ATOM 874 CD GLN A 58 -8.494 -3.474 -5.139 1.00 0.00 C ATOM 875 OE1 GLN A 58 -9.213 -4.374 -4.473 1.00 0.00 O flip ATOM 876 NE2 GLN A 58 -8.320 -3.498 -6.347 1.00 0.00 N flip ATOM 0 H GLN A 58 -8.977 -0.199 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.463 0.010 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.327 -1.860 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.832 -1.457 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.175 -1.794 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.331 -2.841 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.757 -2.776 -6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.738 -4.240 -6.908 1.00 0.00 H new ATOM 885 N GLY A 59 -10.657 0.716 -4.103 1.00 0.00 N ATOM 886 CA GLY A 59 -11.638 1.598 -4.713 1.00 0.00 C ATOM 887 C GLY A 59 -11.416 3.048 -4.280 1.00 0.00 C ATOM 888 O GLY A 59 -11.858 3.975 -4.958 1.00 0.00 O ATOM 0 H GLY A 59 -11.051 -0.090 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.573 1.525 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.642 1.281 -4.432 1.00 0.00 H new ATOM 892 N LEU A 60 -10.732 3.199 -3.156 1.00 0.00 N ATOM 893 CA LEU A 60 -10.446 4.521 -2.625 1.00 0.00 C ATOM 894 C LEU A 60 -9.361 5.184 -3.476 1.00 0.00 C ATOM 895 O LEU A 60 -9.009 6.340 -3.251 1.00 0.00 O ATOM 896 CB LEU A 60 -10.096 4.437 -1.139 1.00 0.00 C ATOM 897 CG LEU A 60 -9.949 5.774 -0.408 1.00 0.00 C ATOM 898 CD1 LEU A 60 -11.295 6.247 0.145 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.879 5.688 0.682 1.00 0.00 C ATOM 0 H LEU A 60 -10.367 2.427 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.331 5.155 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.868 3.854 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.162 3.885 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.616 6.522 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.163 7.199 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.001 6.373 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.681 5.506 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.795 6.651 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.158 4.923 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.921 5.429 0.232 1.00 0.00 H new ATOM 911 N GLN A 61 -8.860 4.421 -4.438 1.00 0.00 N ATOM 912 CA GLN A 61 -7.822 4.920 -5.324 1.00 0.00 C ATOM 913 C GLN A 61 -8.138 6.352 -5.760 1.00 0.00 C ATOM 914 O GLN A 61 -9.257 6.829 -5.571 1.00 0.00 O ATOM 915 CB GLN A 61 -7.648 4.003 -6.536 1.00 0.00 C ATOM 916 CG GLN A 61 -6.412 3.117 -6.382 1.00 0.00 C ATOM 917 CD GLN A 61 -6.752 1.650 -6.648 1.00 0.00 C ATOM 918 OE1 GLN A 61 -6.612 0.789 -5.793 1.00 0.00 O ATOM 919 NE2 GLN A 61 -7.204 1.412 -7.875 1.00 0.00 N ATOM 0 H GLN A 61 -9.154 3.462 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.879 4.928 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.534 3.379 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.558 4.604 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.636 3.445 -7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.007 3.223 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.297 2.178 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.458 0.463 -8.150 1.00 0.00 H new ATOM 928 N GLY A 62 -7.134 6.998 -6.334 1.00 0.00 N ATOM 929 CA GLY A 62 -7.292 8.366 -6.798 1.00 0.00 C ATOM 930 C GLY A 62 -7.494 9.324 -5.623 1.00 0.00 C ATOM 931 O GLY A 62 -7.806 10.497 -5.820 1.00 0.00 O ATOM 0 H GLY A 62 -6.208 6.600 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.412 8.664 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.145 8.428 -7.473 1.00 0.00 H new ATOM 935 N ASP A 63 -7.307 8.788 -4.425 1.00 0.00 N ATOM 936 CA ASP A 63 -7.466 9.580 -3.217 1.00 0.00 C ATOM 937 C ASP A 63 -6.155 9.565 -2.428 1.00 0.00 C ATOM 938 O ASP A 63 -5.613 10.619 -2.096 1.00 0.00 O ATOM 939 CB ASP A 63 -8.564 9.007 -2.321 1.00 0.00 C ATOM 940 CG ASP A 63 -9.086 9.962 -1.247 1.00 0.00 C ATOM 941 OD1 ASP A 63 -9.045 11.183 -1.504 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.516 9.448 -0.191 1.00 0.00 O ATOM 0 H ASP A 63 -7.047 7.815 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.736 10.594 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.400 8.698 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.183 8.110 -1.834 1.00 0.00 H new ATOM 947 N LEU A 64 -5.683 8.359 -2.149 1.00 0.00 N ATOM 948 CA LEU A 64 -4.446 8.192 -1.405 1.00 0.00 C ATOM 949 C LEU A 64 -3.562 7.166 -2.116 1.00 0.00 C ATOM 950 O LEU A 64 -2.462 6.865 -1.656 1.00 0.00 O ATOM 951 CB LEU A 64 -4.743 7.843 0.055 1.00 0.00 C ATOM 952 CG LEU A 64 -5.201 6.408 0.321 1.00 0.00 C ATOM 953 CD1 LEU A 64 -6.083 5.893 -0.818 1.00 0.00 C ATOM 954 CD2 LEU A 64 -4.004 5.490 0.579 1.00 0.00 C ATOM 0 H LEU A 64 -6.135 7.487 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.888 9.128 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.845 8.032 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.512 8.523 0.421 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.810 6.406 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.395 4.871 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.964 6.529 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.520 5.912 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.357 4.476 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.349 5.492 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.452 5.848 1.448 1.00 0.00 H new ATOM 966 N ILE A 65 -4.077 6.657 -3.225 1.00 0.00 N ATOM 967 CA ILE A 65 -3.348 5.671 -4.004 1.00 0.00 C ATOM 968 C ILE A 65 -3.256 6.141 -5.458 1.00 0.00 C ATOM 969 O ILE A 65 -4.274 6.278 -6.134 1.00 0.00 O ATOM 970 CB ILE A 65 -3.981 4.287 -3.844 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.888 3.805 -2.396 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.364 3.285 -4.823 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.697 2.864 -2.206 1.00 0.00 C ATOM 0 H ILE A 65 -4.990 6.909 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.327 5.574 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.040 4.366 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.789 4.662 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.809 3.292 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.832 2.310 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.527 3.627 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.294 3.203 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.654 2.536 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.811 1.996 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.775 3.388 -2.459 1.00 0.00 H new ATOM 985 N ASP A 66 -2.027 6.376 -5.894 1.00 0.00 N ATOM 986 CA ASP A 66 -1.789 6.827 -7.254 1.00 0.00 C ATOM 987 C ASP A 66 -1.648 5.613 -8.173 1.00 0.00 C ATOM 988 O ASP A 66 -2.051 5.658 -9.334 1.00 0.00 O ATOM 989 CB ASP A 66 -0.498 7.642 -7.345 1.00 0.00 C ATOM 990 CG ASP A 66 -0.660 9.050 -7.924 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.810 9.538 -7.912 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.369 9.604 -8.365 1.00 0.00 O ATOM 0 H ASP A 66 -1.185 6.262 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.631 7.450 -7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.067 7.723 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.217 7.094 -7.958 1.00 0.00 H new ATOM 997 N SER A 67 -1.075 4.554 -7.618 1.00 0.00 N ATOM 998 CA SER A 67 -0.875 3.329 -8.373 1.00 0.00 C ATOM 999 C SER A 67 -0.890 2.125 -7.431 1.00 0.00 C ATOM 1000 O SER A 67 -0.544 2.246 -6.257 1.00 0.00 O ATOM 1001 CB SER A 67 0.438 3.373 -9.158 1.00 0.00 C ATOM 1002 OG SER A 67 0.624 4.623 -9.818 1.00 0.00 O ATOM 0 H SER A 67 -0.743 4.520 -6.654 1.00 0.00 H new ATOM 0 HA SER A 67 -1.691 3.232 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.272 3.194 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.447 2.569 -9.894 1.00 0.00 H new ATOM 0 HG SER A 67 1.474 4.612 -10.306 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.295 0.989 -7.981 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.359 -0.237 -7.203 1.00 0.00 C ATOM 1010 C ILE A 68 -0.883 -1.408 -8.065 1.00 0.00 C ATOM 1011 O ILE A 68 -1.519 -1.748 -9.062 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.761 -0.430 -6.623 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.698 -1.076 -5.237 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.648 -1.224 -7.585 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.646 -0.377 -4.261 1.00 0.00 C ATOM 0 H ILE A 68 -1.582 0.892 -8.955 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.689 -0.180 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.217 0.552 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.961 -2.131 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.678 -1.028 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.639 -1.347 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.732 -0.687 -8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.206 -2.204 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.581 -0.856 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.365 0.672 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.668 -0.448 -4.633 1.00 0.00 H new ATOM 1027 N GLU A 69 0.231 -1.993 -7.649 1.00 0.00 N ATOM 1028 CA GLU A 69 0.799 -3.118 -8.371 1.00 0.00 C ATOM 1029 C GLU A 69 0.673 -4.398 -7.542 1.00 0.00 C ATOM 1030 O GLU A 69 1.487 -4.650 -6.654 1.00 0.00 O ATOM 1031 CB GLU A 69 2.258 -2.850 -8.747 1.00 0.00 C ATOM 1032 CG GLU A 69 2.603 -3.485 -10.094 1.00 0.00 C ATOM 1033 CD GLU A 69 4.032 -3.137 -10.515 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.415 -1.966 -10.307 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.709 -4.051 -11.034 1.00 0.00 O ATOM 0 H GLU A 69 0.755 -1.709 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 69 0.239 -3.250 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.434 -1.775 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.915 -3.248 -7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.493 -4.567 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.902 -3.139 -10.853 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.353 -5.174 -7.861 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.596 -6.421 -7.157 1.00 0.00 C ATOM 1044 C GLU A 70 0.264 -7.541 -7.748 1.00 0.00 C ATOM 1045 O GLU A 70 0.300 -7.725 -8.963 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.079 -6.793 -7.194 1.00 0.00 C ATOM 1047 CG GLU A 70 -2.958 -5.544 -7.091 1.00 0.00 C ATOM 1048 CD GLU A 70 -3.663 -5.260 -8.419 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.676 -5.943 -8.682 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -3.173 -4.366 -9.141 1.00 0.00 O ATOM 0 H GLU A 70 -1.026 -4.963 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.315 -6.285 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.302 -7.324 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.308 -7.473 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.699 -5.680 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.347 -4.687 -6.809 1.00 0.00 H new ATOM 1057 N ASP A 71 0.937 -8.259 -6.860 1.00 0.00 N ATOM 1058 CA ASP A 71 1.794 -9.355 -7.279 1.00 0.00 C ATOM 1059 C ASP A 71 1.525 -10.573 -6.394 1.00 0.00 C ATOM 1060 O ASP A 71 2.383 -11.444 -6.253 1.00 0.00 O ATOM 1061 CB ASP A 71 3.272 -8.984 -7.137 1.00 0.00 C ATOM 1062 CG ASP A 71 4.207 -9.657 -8.143 1.00 0.00 C ATOM 1063 OD1 ASP A 71 4.480 -10.861 -7.946 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.627 -8.952 -9.086 1.00 0.00 O ATOM 0 H ASP A 71 0.906 -8.103 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 71 1.576 -9.573 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.371 -7.903 -7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.601 -9.241 -6.130 1.00 0.00 H new ATOM 1069 N GLY A 72 0.332 -10.597 -5.820 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.061 -11.694 -4.952 1.00 0.00 C ATOM 1071 C GLY A 72 -1.169 -12.531 -5.594 1.00 0.00 C ATOM 1072 O GLY A 72 -1.971 -12.015 -6.371 1.00 0.00 O ATOM 0 H GLY A 72 -0.377 -9.873 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.803 -12.326 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.405 -11.300 -3.996 1.00 0.00 H new ATOM 1076 N ILE A 73 -1.178 -13.809 -5.245 1.00 0.00 N ATOM 1077 CA ILE A 73 -2.174 -14.723 -5.777 1.00 0.00 C ATOM 1078 C ILE A 73 -2.640 -15.666 -4.666 1.00 0.00 C ATOM 1079 O ILE A 73 -1.862 -16.023 -3.783 1.00 0.00 O ATOM 1080 CB ILE A 73 -1.633 -15.447 -7.012 1.00 0.00 C ATOM 1081 CG1 ILE A 73 -1.434 -14.472 -8.175 1.00 0.00 C ATOM 1082 CG2 ILE A 73 -2.533 -16.623 -7.396 1.00 0.00 C ATOM 1083 CD1 ILE A 73 -0.359 -14.982 -9.138 1.00 0.00 C ATOM 0 H ILE A 73 -0.511 -14.233 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.051 -14.173 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.654 -15.859 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.375 -14.341 -8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.148 -13.493 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.126 -17.120 -8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.580 -17.331 -6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.536 -16.257 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.236 -14.272 -9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.586 -15.089 -8.605 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.660 -15.949 -9.540 1.00 0.00 H new ATOM 1095 N VAL A 74 -3.908 -16.044 -4.748 1.00 0.00 N ATOM 1096 CA VAL A 74 -4.487 -16.939 -3.760 1.00 0.00 C ATOM 1097 C VAL A 74 -4.505 -18.364 -4.319 1.00 0.00 C ATOM 1098 O VAL A 74 -5.517 -18.809 -4.857 1.00 0.00 O ATOM 1099 CB VAL A 74 -5.874 -16.440 -3.350 1.00 0.00 C ATOM 1100 CG1 VAL A 74 -6.512 -17.378 -2.324 1.00 0.00 C ATOM 1101 CG2 VAL A 74 -5.805 -15.008 -2.815 1.00 0.00 C ATOM 0 H VAL A 74 -4.550 -15.747 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.881 -16.952 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.505 -16.436 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.497 -17.001 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.612 -18.374 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.882 -17.428 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.804 -14.677 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.151 -14.976 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.411 -14.349 -3.589 1.00 0.00 H new ATOM 1111 N THR A 75 -3.375 -19.038 -4.169 1.00 0.00 N ATOM 1112 CA THR A 75 -3.248 -20.403 -4.651 1.00 0.00 C ATOM 1113 C THR A 75 -3.807 -21.387 -3.621 1.00 0.00 C ATOM 1114 O THR A 75 -4.773 -22.096 -3.896 1.00 0.00 O ATOM 1115 CB THR A 75 -1.777 -20.650 -4.992 1.00 0.00 C ATOM 1116 OG1 THR A 75 -1.118 -20.612 -3.729 1.00 0.00 O ATOM 1117 CG2 THR A 75 -1.154 -19.491 -5.772 1.00 0.00 C ATOM 0 H THR A 75 -2.539 -18.665 -3.720 1.00 0.00 H new ATOM 0 HA THR A 75 -3.836 -20.559 -5.555 1.00 0.00 H new ATOM 0 HB THR A 75 -1.688 -21.568 -5.573 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.158 -20.765 -3.856 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.110 -19.718 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.696 -19.349 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.212 -18.579 -5.177 1.00 0.00 H new ATOM 1125 N THR A 76 -3.176 -21.396 -2.456 1.00 0.00 N ATOM 1126 CA THR A 76 -3.598 -22.281 -1.384 1.00 0.00 C ATOM 1127 C THR A 76 -4.005 -23.645 -1.946 1.00 0.00 C ATOM 1128 O THR A 76 -5.189 -23.911 -2.143 1.00 0.00 O ATOM 1129 CB THR A 76 -4.718 -21.584 -0.610 1.00 0.00 C ATOM 1130 OG1 THR A 76 -4.059 -20.524 0.077 1.00 0.00 O ATOM 1131 CG2 THR A 76 -5.287 -22.458 0.511 1.00 0.00 C ATOM 0 H THR A 76 -2.376 -20.805 -2.231 1.00 0.00 H new ATOM 0 HA THR A 76 -2.780 -22.482 -0.692 1.00 0.00 H new ATOM 0 HB THR A 76 -5.518 -21.310 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.713 -20.019 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.078 -21.916 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.694 -23.376 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.495 -22.705 1.217 1.00 0.00 H new ATOM 1139 N GLN A 77 -2.998 -24.472 -2.189 1.00 0.00 N ATOM 1140 CA GLN A 77 -3.236 -25.802 -2.725 1.00 0.00 C ATOM 1141 C GLN A 77 -2.768 -26.867 -1.730 1.00 0.00 C ATOM 1142 O GLN A 77 -1.806 -26.654 -0.995 1.00 0.00 O ATOM 1143 CB GLN A 77 -2.549 -25.978 -4.081 1.00 0.00 C ATOM 1144 CG GLN A 77 -3.536 -25.759 -5.228 1.00 0.00 C ATOM 1145 CD GLN A 77 -2.826 -25.828 -6.582 1.00 0.00 C ATOM 1146 OE1 GLN A 77 -2.599 -26.889 -7.140 1.00 0.00 O ATOM 1147 NE2 GLN A 77 -2.490 -24.641 -7.078 1.00 0.00 N ATOM 0 H GLN A 77 -2.017 -24.247 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.308 -25.924 -2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.722 -25.273 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.123 -26.979 -4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.321 -26.514 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.020 -24.789 -5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.710 -23.791 -6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.013 -24.581 -7.977 1.00 0.00 H new TER 1156 GLN A 77