USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 686 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 80 THR OG1 : rot -79:sc= 0.887 USER MOD Set 1.2: A 81 THR OG1 : rot 56:sc= 0.991 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.193 (180deg=-1) USER MOD Single : A 2 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.41) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 SER N :NH3+ -99:sc= 0.506 (180deg=0.0152) USER MOD Single : A -1 SER OG : rot 180:sc= 0.198 USER MOD Single : A 33 ASN : amide:sc= -0.041 K(o=-0.041,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.547 USER MOD Single : A 65 HIS : no HE2:sc= -4.34! C(o=-4.3!,f=-7.1!) USER MOD Single : A 68 SER OG : rot 160:sc= -0.142 USER MOD Single : A 71 SER OG : rot -35:sc= 0.729 USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= -5.12! (180deg=-5.6!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -1 14.714 -4.690 -1.614 1.00 0.00 N ATOM 2 CA SER A -1 13.839 -3.550 -2.007 1.00 0.00 C ATOM 3 C SER A -1 12.457 -4.078 -2.397 1.00 0.00 C ATOM 4 O SER A -1 11.448 -3.661 -1.863 1.00 0.00 O ATOM 5 CB SER A -1 14.458 -2.818 -3.199 1.00 0.00 C ATOM 6 OG SER A -1 15.833 -3.169 -3.301 1.00 0.00 O ATOM 0 H1 SER A -1 14.739 -4.767 -0.577 1.00 0.00 H new ATOM 0 H2 SER A -1 14.338 -5.572 -2.018 1.00 0.00 H new ATOM 0 H3 SER A -1 15.677 -4.528 -1.972 1.00 0.00 H new ATOM 0 HA SER A -1 13.742 -2.862 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.933 -3.084 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A -1 14.354 -1.740 -3.073 1.00 0.00 H new ATOM 0 HG SER A -1 16.234 -2.704 -4.065 1.00 0.00 H new ATOM 14 N GLU A 0 12.402 -4.994 -3.324 1.00 0.00 N ATOM 15 CA GLU A 0 11.087 -5.550 -3.748 1.00 0.00 C ATOM 16 C GLU A 0 10.373 -6.155 -2.536 1.00 0.00 C ATOM 17 O GLU A 0 10.995 -6.711 -1.652 1.00 0.00 O ATOM 18 CB GLU A 0 11.307 -6.637 -4.803 1.00 0.00 C ATOM 19 CG GLU A 0 11.976 -6.025 -6.035 1.00 0.00 C ATOM 20 CD GLU A 0 12.129 -7.095 -7.118 1.00 0.00 C ATOM 21 OE1 GLU A 0 11.882 -8.251 -6.818 1.00 0.00 O ATOM 22 OE2 GLU A 0 12.489 -6.739 -8.227 1.00 0.00 O ATOM 0 H GLU A 0 13.212 -5.382 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 0 10.476 -4.752 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 0 11.930 -7.433 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 0 10.354 -7.088 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 0 11.379 -5.195 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 0 12.952 -5.620 -5.768 1.00 0.00 H new ATOM 29 N MET A 1 9.073 -6.051 -2.488 1.00 0.00 N ATOM 30 CA MET A 1 8.320 -6.619 -1.340 1.00 0.00 C ATOM 31 C MET A 1 7.619 -7.894 -1.795 1.00 0.00 C ATOM 32 O MET A 1 8.242 -8.837 -2.242 1.00 0.00 O ATOM 33 CB MET A 1 7.266 -5.608 -0.883 1.00 0.00 C ATOM 34 CG MET A 1 7.948 -4.284 -0.540 1.00 0.00 C ATOM 35 SD MET A 1 6.752 -3.170 0.242 1.00 0.00 S ATOM 36 CE MET A 1 6.628 -4.034 1.828 1.00 0.00 C ATOM 0 H MET A 1 8.500 -5.595 -3.198 1.00 0.00 H new ATOM 0 HA MET A 1 9.002 -6.839 -0.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.527 -5.456 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.732 -5.991 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.789 -4.460 0.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.351 -3.826 -1.443 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.335 -3.328 2.605 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.880 -4.824 1.755 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.594 -4.471 2.081 1.00 0.00 H new ATOM 46 N GLN A 2 6.322 -7.910 -1.706 1.00 0.00 N ATOM 47 CA GLN A 2 5.547 -9.100 -2.154 1.00 0.00 C ATOM 48 C GLN A 2 4.604 -8.651 -3.264 1.00 0.00 C ATOM 49 O GLN A 2 3.703 -7.868 -3.040 1.00 0.00 O ATOM 50 CB GLN A 2 4.738 -9.659 -0.982 1.00 0.00 C ATOM 51 CG GLN A 2 5.686 -10.014 0.165 1.00 0.00 C ATOM 52 CD GLN A 2 6.683 -11.074 -0.307 1.00 0.00 C ATOM 53 OE1 GLN A 2 6.298 -12.075 -0.880 1.00 0.00 O ATOM 54 NE2 GLN A 2 7.957 -10.898 -0.087 1.00 0.00 N ATOM 0 H GLN A 2 5.758 -7.143 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 2 6.218 -9.879 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.005 -8.925 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.183 -10.543 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.217 -9.123 0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.119 -10.387 1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.280 -10.058 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.630 -11.600 -0.396 1.00 0.00 H new ATOM 63 N HIS A 3 4.806 -9.117 -4.465 1.00 0.00 N ATOM 64 CA HIS A 3 3.918 -8.678 -5.571 1.00 0.00 C ATOM 65 C HIS A 3 3.775 -7.156 -5.491 1.00 0.00 C ATOM 66 O HIS A 3 2.754 -6.596 -5.836 1.00 0.00 O ATOM 67 CB HIS A 3 2.544 -9.334 -5.422 1.00 0.00 C ATOM 68 CG HIS A 3 2.706 -10.828 -5.366 1.00 0.00 C ATOM 69 ND1 HIS A 3 2.861 -11.512 -4.168 1.00 0.00 N ATOM 70 CD2 HIS A 3 2.737 -11.784 -6.351 1.00 0.00 C ATOM 71 CE1 HIS A 3 2.978 -12.821 -4.460 1.00 0.00 C ATOM 72 NE2 HIS A 3 2.909 -13.038 -5.775 1.00 0.00 N ATOM 0 H HIS A 3 5.540 -9.776 -4.725 1.00 0.00 H new ATOM 0 HA HIS A 3 4.341 -8.968 -6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.055 -8.976 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.904 -9.058 -6.260 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.642 -11.592 -7.410 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.111 -13.598 -3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.970 -13.935 -6.256 1.00 0.00 H new ATOM 81 N ALA A 4 4.797 -6.487 -5.021 1.00 0.00 N ATOM 82 CA ALA A 4 4.732 -5.004 -4.897 1.00 0.00 C ATOM 83 C ALA A 4 4.427 -4.383 -6.261 1.00 0.00 C ATOM 84 O ALA A 4 3.674 -3.434 -6.368 1.00 0.00 O ATOM 85 CB ALA A 4 6.078 -4.480 -4.393 1.00 0.00 C ATOM 0 H ALA A 4 5.675 -6.908 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 4 3.944 -4.735 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.035 -3.395 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.298 -4.918 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.862 -4.753 -5.099 1.00 0.00 H new ATOM 91 N SER A 5 5.004 -4.908 -7.307 1.00 0.00 N ATOM 92 CA SER A 5 4.745 -4.342 -8.660 1.00 0.00 C ATOM 93 C SER A 5 3.264 -4.504 -9.006 1.00 0.00 C ATOM 94 O SER A 5 2.679 -3.676 -9.674 1.00 0.00 O ATOM 95 CB SER A 5 5.593 -5.082 -9.694 1.00 0.00 C ATOM 96 OG SER A 5 5.127 -6.419 -9.814 1.00 0.00 O ATOM 0 H SER A 5 5.642 -5.703 -7.283 1.00 0.00 H new ATOM 0 HA SER A 5 5.006 -3.284 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.535 -4.577 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.641 -5.076 -9.394 1.00 0.00 H new ATOM 0 HG SER A 5 5.668 -6.896 -10.478 1.00 0.00 H new ATOM 102 N VAL A 6 2.652 -5.564 -8.555 1.00 0.00 N ATOM 103 CA VAL A 6 1.209 -5.773 -8.858 1.00 0.00 C ATOM 104 C VAL A 6 0.380 -4.688 -8.171 1.00 0.00 C ATOM 105 O VAL A 6 -0.530 -4.128 -8.749 1.00 0.00 O ATOM 106 CB VAL A 6 0.775 -7.145 -8.345 1.00 0.00 C ATOM 107 CG1 VAL A 6 -0.740 -7.292 -8.493 1.00 0.00 C ATOM 108 CG2 VAL A 6 1.475 -8.237 -9.159 1.00 0.00 C ATOM 0 H VAL A 6 3.088 -6.293 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 6 1.054 -5.721 -9.936 1.00 0.00 H new ATOM 0 HB VAL A 6 1.047 -7.242 -7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.048 -8.271 -8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.239 -6.515 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.014 -7.195 -9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.167 -9.217 -8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.203 -8.139 -10.210 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.555 -8.134 -9.053 1.00 0.00 H new ATOM 118 N ILE A 7 0.689 -4.389 -6.942 1.00 0.00 N ATOM 119 CA ILE A 7 -0.077 -3.344 -6.208 1.00 0.00 C ATOM 120 C ILE A 7 0.026 -2.010 -6.947 1.00 0.00 C ATOM 121 O ILE A 7 -0.955 -1.323 -7.152 1.00 0.00 O ATOM 122 CB ILE A 7 0.510 -3.184 -4.804 1.00 0.00 C ATOM 123 CG1 ILE A 7 0.439 -4.522 -4.065 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.291 -2.134 -4.032 1.00 0.00 C ATOM 125 CD1 ILE A 7 1.202 -4.414 -2.744 1.00 0.00 C ATOM 0 H ILE A 7 1.443 -4.825 -6.411 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.123 -3.643 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 7 1.549 -2.865 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.600 -4.791 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.866 -5.313 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.127 -2.020 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.241 -1.180 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.331 -2.453 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.152 -5.366 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.244 -4.164 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.754 -3.634 -2.128 1.00 0.00 H new ATOM 137 N ALA A 8 1.211 -1.631 -7.336 1.00 0.00 N ATOM 138 CA ALA A 8 1.389 -0.333 -8.046 1.00 0.00 C ATOM 139 C ALA A 8 0.641 -0.334 -9.385 1.00 0.00 C ATOM 140 O ALA A 8 -0.014 0.627 -9.735 1.00 0.00 O ATOM 141 CB ALA A 8 2.879 -0.100 -8.298 1.00 0.00 C ATOM 0 H ALA A 8 2.067 -2.166 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 8 0.982 0.464 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.016 0.848 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.409 -0.072 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.275 -0.910 -8.911 1.00 0.00 H new ATOM 147 N GLN A 9 0.749 -1.386 -10.152 1.00 0.00 N ATOM 148 CA GLN A 9 0.057 -1.407 -11.474 1.00 0.00 C ATOM 149 C GLN A 9 -1.463 -1.477 -11.293 1.00 0.00 C ATOM 150 O GLN A 9 -2.205 -0.754 -11.928 1.00 0.00 O ATOM 151 CB GLN A 9 0.523 -2.627 -12.270 1.00 0.00 C ATOM 152 CG GLN A 9 2.016 -2.501 -12.575 1.00 0.00 C ATOM 153 CD GLN A 9 2.459 -3.672 -13.453 1.00 0.00 C ATOM 154 OE1 GLN A 9 2.272 -3.653 -14.654 1.00 0.00 O ATOM 155 NE2 GLN A 9 3.039 -4.702 -12.899 1.00 0.00 N ATOM 0 H GLN A 9 1.282 -2.225 -9.923 1.00 0.00 H new ATOM 0 HA GLN A 9 0.304 -0.490 -12.009 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.333 -3.538 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.043 -2.706 -13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.216 -1.557 -13.082 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.588 -2.492 -11.647 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.196 -4.718 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.335 -5.491 -13.474 1.00 0.00 H new ATOM 164 N PHE A 10 -1.934 -2.343 -10.443 1.00 0.00 N ATOM 165 CA PHE A 10 -3.409 -2.458 -10.242 1.00 0.00 C ATOM 166 C PHE A 10 -3.944 -1.221 -9.518 1.00 0.00 C ATOM 167 O PHE A 10 -4.923 -0.628 -9.928 1.00 0.00 O ATOM 168 CB PHE A 10 -3.717 -3.725 -9.438 1.00 0.00 C ATOM 169 CG PHE A 10 -4.646 -3.406 -8.292 1.00 0.00 C ATOM 170 CD1 PHE A 10 -5.932 -2.908 -8.538 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.217 -3.614 -6.980 1.00 0.00 C ATOM 172 CE1 PHE A 10 -6.785 -2.618 -7.465 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.065 -3.326 -5.909 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.351 -2.827 -6.150 1.00 0.00 C ATOM 0 H PHE A 10 -1.366 -2.976 -9.879 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.900 -2.524 -11.213 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.172 -4.474 -10.086 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.791 -4.155 -9.056 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.265 -2.748 -9.553 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.226 -3.999 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.777 -2.233 -7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.729 -3.488 -4.895 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.008 -2.603 -5.322 1.00 0.00 H new ATOM 184 N VAL A 11 -3.321 -0.828 -8.444 1.00 0.00 N ATOM 185 CA VAL A 11 -3.812 0.367 -7.701 1.00 0.00 C ATOM 186 C VAL A 11 -3.783 1.593 -8.619 1.00 0.00 C ATOM 187 O VAL A 11 -4.667 2.425 -8.585 1.00 0.00 O ATOM 188 CB VAL A 11 -2.921 0.618 -6.483 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.626 1.300 -6.928 1.00 0.00 C ATOM 190 CG2 VAL A 11 -3.657 1.523 -5.492 1.00 0.00 C ATOM 0 H VAL A 11 -2.496 -1.279 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.835 0.188 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.685 -0.332 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.992 1.478 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.101 0.658 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.861 2.250 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.023 1.703 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.892 2.473 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.580 1.039 -5.174 1.00 0.00 H new ATOM 200 N VAL A 12 -2.773 1.712 -9.437 1.00 0.00 N ATOM 201 CA VAL A 12 -2.692 2.887 -10.353 1.00 0.00 C ATOM 202 C VAL A 12 -3.871 2.871 -11.329 1.00 0.00 C ATOM 203 O VAL A 12 -4.482 3.888 -11.590 1.00 0.00 O ATOM 204 CB VAL A 12 -1.382 2.835 -11.134 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.421 3.863 -12.266 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.219 3.160 -10.193 1.00 0.00 C ATOM 0 H VAL A 12 -2.002 1.049 -9.511 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.729 3.803 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.247 1.838 -11.553 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.485 3.826 -12.824 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.251 3.636 -12.935 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.554 4.860 -11.847 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.719 3.124 -10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.356 4.158 -9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.191 2.430 -9.384 1.00 0.00 H new ATOM 216 N GLU A 13 -4.197 1.730 -11.873 1.00 0.00 N ATOM 217 CA GLU A 13 -5.334 1.664 -12.832 1.00 0.00 C ATOM 218 C GLU A 13 -6.634 2.046 -12.126 1.00 0.00 C ATOM 219 O GLU A 13 -7.517 2.643 -12.711 1.00 0.00 O ATOM 220 CB GLU A 13 -5.449 0.248 -13.386 1.00 0.00 C ATOM 221 CG GLU A 13 -4.262 -0.039 -14.302 1.00 0.00 C ATOM 222 CD GLU A 13 -4.401 -1.442 -14.896 1.00 0.00 C ATOM 223 OE1 GLU A 13 -5.282 -2.164 -14.460 1.00 0.00 O ATOM 224 OE2 GLU A 13 -3.623 -1.771 -15.776 1.00 0.00 O ATOM 0 H GLU A 13 -3.726 0.843 -11.695 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.155 2.362 -13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.474 -0.473 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.383 0.137 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.218 0.702 -15.100 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.330 0.039 -13.742 1.00 0.00 H new ATOM 231 N GLU A 14 -6.764 1.701 -10.879 1.00 0.00 N ATOM 232 CA GLU A 14 -8.012 2.039 -10.141 1.00 0.00 C ATOM 233 C GLU A 14 -8.148 3.558 -10.000 1.00 0.00 C ATOM 234 O GLU A 14 -9.243 4.084 -9.960 1.00 0.00 O ATOM 235 CB GLU A 14 -7.968 1.405 -8.749 1.00 0.00 C ATOM 236 CG GLU A 14 -9.309 1.621 -8.045 1.00 0.00 C ATOM 237 CD GLU A 14 -9.233 1.074 -6.619 1.00 0.00 C ATOM 238 OE1 GLU A 14 -8.175 0.595 -6.245 1.00 0.00 O ATOM 239 OE2 GLU A 14 -10.234 1.141 -5.925 1.00 0.00 O ATOM 0 H GLU A 14 -6.061 1.199 -10.337 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.867 1.654 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.756 0.339 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.162 1.847 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.554 2.683 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.105 1.120 -8.596 1.00 0.00 H new ATOM 246 N PHE A 15 -7.050 4.264 -9.904 1.00 0.00 N ATOM 247 CA PHE A 15 -7.130 5.748 -9.738 1.00 0.00 C ATOM 248 C PHE A 15 -6.568 6.477 -10.965 1.00 0.00 C ATOM 249 O PHE A 15 -7.268 7.230 -11.611 1.00 0.00 O ATOM 250 CB PHE A 15 -6.331 6.155 -8.498 1.00 0.00 C ATOM 251 CG PHE A 15 -6.490 7.637 -8.261 1.00 0.00 C ATOM 252 CD1 PHE A 15 -7.637 8.124 -7.621 1.00 0.00 C ATOM 253 CD2 PHE A 15 -5.492 8.524 -8.679 1.00 0.00 C ATOM 254 CE1 PHE A 15 -7.784 9.499 -7.399 1.00 0.00 C ATOM 255 CE2 PHE A 15 -5.639 9.900 -8.457 1.00 0.00 C ATOM 256 CZ PHE A 15 -6.786 10.387 -7.817 1.00 0.00 C ATOM 0 H PHE A 15 -6.106 3.880 -9.933 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.178 6.027 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.679 5.597 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.278 5.909 -8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.408 7.439 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.608 8.148 -9.173 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.668 9.874 -6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.868 10.585 -8.779 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.900 11.447 -7.646 1.00 0.00 H new ATOM 266 N LEU A 16 -5.311 6.287 -11.274 1.00 0.00 N ATOM 267 CA LEU A 16 -4.714 7.006 -12.439 1.00 0.00 C ATOM 268 C LEU A 16 -4.278 6.020 -13.529 1.00 0.00 C ATOM 269 O LEU A 16 -3.112 5.702 -13.649 1.00 0.00 O ATOM 270 CB LEU A 16 -3.489 7.784 -11.960 1.00 0.00 C ATOM 271 CG LEU A 16 -3.893 9.224 -11.645 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.859 9.857 -10.713 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.966 10.027 -12.945 1.00 0.00 C ATOM 0 H LEU A 16 -4.675 5.668 -10.772 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.464 7.678 -12.857 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.068 7.311 -11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.714 7.771 -12.726 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.868 9.228 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.150 10.884 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.806 9.286 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.882 9.854 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.254 11.054 -12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.991 10.021 -13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.705 9.579 -13.609 1.00 0.00 H new ATOM 285 N PRO A 17 -5.202 5.555 -14.332 1.00 0.00 N ATOM 286 CA PRO A 17 -4.891 4.612 -15.442 1.00 0.00 C ATOM 287 C PRO A 17 -4.207 5.312 -16.620 1.00 0.00 C ATOM 288 O PRO A 17 -3.648 4.677 -17.492 1.00 0.00 O ATOM 289 CB PRO A 17 -6.256 4.063 -15.857 1.00 0.00 C ATOM 290 CG PRO A 17 -7.256 5.087 -15.428 1.00 0.00 C ATOM 291 CD PRO A 17 -6.640 5.872 -14.267 1.00 0.00 C ATOM 0 HA PRO A 17 -4.194 3.835 -15.128 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.301 3.900 -16.934 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.452 3.102 -15.381 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.501 5.754 -16.255 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.185 4.609 -15.118 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.816 6.942 -14.373 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.070 5.572 -13.312 1.00 0.00 H new ATOM 299 N ASP A 18 -4.247 6.616 -16.651 1.00 0.00 N ATOM 300 CA ASP A 18 -3.601 7.355 -17.768 1.00 0.00 C ATOM 301 C ASP A 18 -2.116 7.555 -17.460 1.00 0.00 C ATOM 302 O ASP A 18 -1.390 8.152 -18.230 1.00 0.00 O ATOM 303 CB ASP A 18 -4.278 8.713 -17.926 1.00 0.00 C ATOM 304 CG ASP A 18 -5.714 8.515 -18.415 1.00 0.00 C ATOM 305 OD1 ASP A 18 -6.035 7.410 -18.817 1.00 0.00 O ATOM 306 OD2 ASP A 18 -6.469 9.474 -18.380 1.00 0.00 O ATOM 0 H ASP A 18 -4.700 7.201 -15.949 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.702 6.785 -18.692 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.277 9.244 -16.974 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.723 9.327 -18.635 1.00 0.00 H new ATOM 311 N VAL A 19 -1.661 7.061 -16.338 1.00 0.00 N ATOM 312 CA VAL A 19 -0.223 7.221 -15.973 1.00 0.00 C ATOM 313 C VAL A 19 0.450 5.848 -15.928 1.00 0.00 C ATOM 314 O VAL A 19 -0.081 4.902 -15.381 1.00 0.00 O ATOM 315 CB VAL A 19 -0.118 7.883 -14.598 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.352 8.146 -14.268 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.882 9.208 -14.612 1.00 0.00 C ATOM 0 H VAL A 19 -2.225 6.552 -15.657 1.00 0.00 H new ATOM 0 HA VAL A 19 0.273 7.844 -16.718 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.546 7.223 -13.844 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.426 8.618 -13.288 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.897 7.202 -14.259 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.782 8.806 -15.022 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.808 9.681 -13.633 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.453 9.867 -15.367 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.930 9.021 -14.847 1.00 0.00 H new ATOM 327 N ALA A 20 1.617 5.730 -16.500 1.00 0.00 N ATOM 328 CA ALA A 20 2.326 4.421 -16.490 1.00 0.00 C ATOM 329 C ALA A 20 2.832 4.124 -15.066 1.00 0.00 C ATOM 330 O ALA A 20 3.645 4.859 -14.541 1.00 0.00 O ATOM 331 CB ALA A 20 3.524 4.493 -17.439 1.00 0.00 C ATOM 0 H ALA A 20 2.110 6.486 -16.975 1.00 0.00 H new ATOM 0 HA ALA A 20 1.644 3.633 -16.810 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.048 3.537 -17.437 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.176 4.713 -18.448 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.203 5.280 -17.109 1.00 0.00 H new ATOM 337 N PRO A 21 2.373 3.062 -14.436 1.00 0.00 N ATOM 338 CA PRO A 21 2.826 2.709 -13.058 1.00 0.00 C ATOM 339 C PRO A 21 4.352 2.673 -12.946 1.00 0.00 C ATOM 340 O PRO A 21 4.915 2.945 -11.904 1.00 0.00 O ATOM 341 CB PRO A 21 2.256 1.309 -12.820 1.00 0.00 C ATOM 342 CG PRO A 21 1.110 1.166 -13.765 1.00 0.00 C ATOM 343 CD PRO A 21 1.382 2.096 -14.948 1.00 0.00 C ATOM 0 HA PRO A 21 2.489 3.446 -12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.011 0.544 -13.003 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.927 1.192 -11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.015 0.133 -14.101 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.172 1.430 -13.276 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.770 1.545 -15.805 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.472 2.597 -15.277 1.00 0.00 H new ATOM 351 N ALA A 22 5.026 2.343 -14.013 1.00 0.00 N ATOM 352 CA ALA A 22 6.513 2.295 -13.969 1.00 0.00 C ATOM 353 C ALA A 22 7.057 3.703 -13.719 1.00 0.00 C ATOM 354 O ALA A 22 8.145 3.880 -13.209 1.00 0.00 O ATOM 355 CB ALA A 22 7.048 1.771 -15.304 1.00 0.00 C ATOM 0 H ALA A 22 4.610 2.105 -14.913 1.00 0.00 H new ATOM 0 HA ALA A 22 6.833 1.631 -13.166 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.137 1.736 -15.271 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.658 0.769 -15.484 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.730 2.434 -16.109 1.00 0.00 H new ATOM 361 N ASP A 23 6.305 4.706 -14.080 1.00 0.00 N ATOM 362 CA ASP A 23 6.773 6.104 -13.872 1.00 0.00 C ATOM 363 C ASP A 23 6.503 6.531 -12.427 1.00 0.00 C ATOM 364 O ASP A 23 6.732 7.666 -12.057 1.00 0.00 O ATOM 365 CB ASP A 23 6.027 7.038 -14.827 1.00 0.00 C ATOM 366 CG ASP A 23 6.602 8.451 -14.713 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.599 8.718 -15.364 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.037 9.243 -13.977 1.00 0.00 O ATOM 0 H ASP A 23 5.385 4.617 -14.511 1.00 0.00 H new ATOM 0 HA ASP A 23 7.844 6.158 -14.069 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.120 6.678 -15.852 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.964 7.046 -14.588 1.00 0.00 H new ATOM 373 N VAL A 24 6.018 5.636 -11.607 1.00 0.00 N ATOM 374 CA VAL A 24 5.736 6.003 -10.189 1.00 0.00 C ATOM 375 C VAL A 24 6.772 5.349 -9.278 1.00 0.00 C ATOM 376 O VAL A 24 7.001 4.157 -9.342 1.00 0.00 O ATOM 377 CB VAL A 24 4.354 5.491 -9.792 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.937 6.124 -8.463 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.338 5.857 -10.877 1.00 0.00 C ATOM 0 H VAL A 24 5.806 4.670 -11.857 1.00 0.00 H new ATOM 0 HA VAL A 24 5.777 7.088 -10.088 1.00 0.00 H new ATOM 0 HB VAL A 24 4.388 4.407 -9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.950 5.758 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.658 5.857 -7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.905 7.208 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.352 5.490 -10.591 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.303 6.940 -10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.635 5.401 -11.822 1.00 0.00 H new ATOM 389 N ASP A 25 7.390 6.110 -8.422 1.00 0.00 N ATOM 390 CA ASP A 25 8.393 5.513 -7.504 1.00 0.00 C ATOM 391 C ASP A 25 7.690 5.055 -6.225 1.00 0.00 C ATOM 392 O ASP A 25 7.088 5.843 -5.523 1.00 0.00 O ATOM 393 CB ASP A 25 9.452 6.561 -7.154 1.00 0.00 C ATOM 394 CG ASP A 25 10.247 6.923 -8.410 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.132 6.202 -9.388 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.957 7.915 -8.372 1.00 0.00 O ATOM 0 H ASP A 25 7.245 7.114 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 25 8.872 4.661 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.976 7.451 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.122 6.174 -6.386 1.00 0.00 H new ATOM 401 N VAL A 26 7.767 3.793 -5.908 1.00 0.00 N ATOM 402 CA VAL A 26 7.107 3.303 -4.669 1.00 0.00 C ATOM 403 C VAL A 26 7.875 3.823 -3.453 1.00 0.00 C ATOM 404 O VAL A 26 7.558 3.504 -2.327 1.00 0.00 O ATOM 405 CB VAL A 26 7.112 1.776 -4.663 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.381 1.254 -5.901 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.557 1.271 -4.676 1.00 0.00 C ATOM 0 H VAL A 26 8.257 3.083 -6.452 1.00 0.00 H new ATOM 0 HA VAL A 26 6.078 3.661 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 26 6.607 1.417 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.386 0.164 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.352 1.612 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.884 1.613 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.562 0.181 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.061 1.632 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.079 1.639 -3.793 1.00 0.00 H new ATOM 417 N ASP A 27 8.877 4.632 -3.674 1.00 0.00 N ATOM 418 CA ASP A 27 9.659 5.184 -2.536 1.00 0.00 C ATOM 419 C ASP A 27 9.091 6.549 -2.153 1.00 0.00 C ATOM 420 O ASP A 27 9.497 7.154 -1.182 1.00 0.00 O ATOM 421 CB ASP A 27 11.119 5.335 -2.957 1.00 0.00 C ATOM 422 CG ASP A 27 11.739 3.952 -3.164 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.113 2.980 -2.775 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.829 3.889 -3.709 1.00 0.00 O ATOM 0 H ASP A 27 9.186 4.934 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 27 9.596 4.511 -1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.184 5.915 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.673 5.883 -2.195 1.00 0.00 H new ATOM 429 N LEU A 28 8.144 7.032 -2.907 1.00 0.00 N ATOM 430 CA LEU A 28 7.536 8.352 -2.591 1.00 0.00 C ATOM 431 C LEU A 28 6.271 8.123 -1.773 1.00 0.00 C ATOM 432 O LEU A 28 5.500 7.225 -2.048 1.00 0.00 O ATOM 433 CB LEU A 28 7.184 9.081 -3.887 1.00 0.00 C ATOM 434 CG LEU A 28 6.653 10.480 -3.562 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.781 11.338 -2.982 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.125 11.134 -4.840 1.00 0.00 C ATOM 0 H LEU A 28 7.764 6.567 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 28 8.242 8.959 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.064 9.155 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.435 8.516 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 28 5.848 10.399 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.400 12.333 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.159 10.874 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.588 11.418 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.747 12.130 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.932 11.212 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.320 10.527 -5.254 1.00 0.00 H new ATOM 448 N ASP A 29 6.049 8.913 -0.763 1.00 0.00 N ATOM 449 CA ASP A 29 4.835 8.708 0.065 1.00 0.00 C ATOM 450 C ASP A 29 3.594 8.784 -0.827 1.00 0.00 C ATOM 451 O ASP A 29 3.473 9.642 -1.678 1.00 0.00 O ATOM 452 CB ASP A 29 4.760 9.784 1.150 1.00 0.00 C ATOM 453 CG ASP A 29 5.918 9.601 2.132 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.552 8.559 2.083 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.152 10.506 2.917 1.00 0.00 O ATOM 0 H ASP A 29 6.651 9.685 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 29 4.881 7.728 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.806 10.775 0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.808 9.718 1.677 1.00 0.00 H new ATOM 460 N LEU A 30 2.680 7.876 -0.639 1.00 0.00 N ATOM 461 CA LEU A 30 1.443 7.858 -1.468 1.00 0.00 C ATOM 462 C LEU A 30 0.610 9.115 -1.213 1.00 0.00 C ATOM 463 O LEU A 30 -0.002 9.656 -2.111 1.00 0.00 O ATOM 464 CB LEU A 30 0.621 6.617 -1.106 1.00 0.00 C ATOM 465 CG LEU A 30 -0.567 6.486 -2.060 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.058 6.272 -3.487 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.420 5.285 -1.645 1.00 0.00 C ATOM 0 H LEU A 30 2.737 7.137 0.061 1.00 0.00 H new ATOM 0 HA LEU A 30 1.718 7.832 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.246 5.726 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.267 6.691 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.166 7.396 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.906 6.179 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.554 7.123 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.541 5.362 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.268 5.189 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.817 4.378 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.784 5.431 -0.628 1.00 0.00 H new ATOM 479 N VAL A 31 0.563 9.576 0.004 1.00 0.00 N ATOM 480 CA VAL A 31 -0.250 10.787 0.308 1.00 0.00 C ATOM 481 C VAL A 31 0.335 12.018 -0.383 1.00 0.00 C ATOM 482 O VAL A 31 -0.388 12.875 -0.850 1.00 0.00 O ATOM 483 CB VAL A 31 -0.286 11.021 1.812 1.00 0.00 C ATOM 484 CG1 VAL A 31 -0.981 12.352 2.090 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.066 9.885 2.474 1.00 0.00 C ATOM 0 H VAL A 31 1.051 9.168 0.801 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.262 10.623 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 31 0.727 11.048 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.012 12.529 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.430 13.158 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.998 12.320 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.097 10.045 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.082 9.864 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.576 8.935 2.262 1.00 0.00 H new ATOM 495 N ASP A 32 1.630 12.121 -0.458 1.00 0.00 N ATOM 496 CA ASP A 32 2.229 13.309 -1.125 1.00 0.00 C ATOM 497 C ASP A 32 1.608 13.442 -2.512 1.00 0.00 C ATOM 498 O ASP A 32 1.417 14.528 -3.022 1.00 0.00 O ATOM 499 CB ASP A 32 3.744 13.124 -1.253 1.00 0.00 C ATOM 500 CG ASP A 32 4.387 13.201 0.133 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.693 13.569 1.065 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.562 12.891 0.236 1.00 0.00 O ATOM 0 H ASP A 32 2.296 11.441 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 32 2.035 14.206 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.966 12.162 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.161 13.894 -1.902 1.00 0.00 H new ATOM 507 N ASN A 33 1.284 12.337 -3.118 1.00 0.00 N ATOM 508 CA ASN A 33 0.662 12.373 -4.468 1.00 0.00 C ATOM 509 C ASN A 33 -0.767 12.910 -4.370 1.00 0.00 C ATOM 510 O ASN A 33 -1.252 13.578 -5.262 1.00 0.00 O ATOM 511 CB ASN A 33 0.623 10.955 -5.027 1.00 0.00 C ATOM 512 CG ASN A 33 2.043 10.492 -5.355 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.944 11.297 -5.479 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.283 9.218 -5.502 1.00 0.00 N ATOM 0 H ASN A 33 1.424 11.403 -2.733 1.00 0.00 H new ATOM 0 HA ASN A 33 1.245 13.023 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.168 10.280 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.004 10.924 -5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.227 8.899 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.527 8.541 -5.398 1.00 0.00 H new ATOM 521 N GLY A 34 -1.449 12.611 -3.301 1.00 0.00 N ATOM 522 CA GLY A 34 -2.853 13.091 -3.155 1.00 0.00 C ATOM 523 C GLY A 34 -3.788 12.088 -3.823 1.00 0.00 C ATOM 524 O GLY A 34 -4.981 12.297 -3.916 1.00 0.00 O ATOM 0 H GLY A 34 -1.096 12.055 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.107 13.199 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.965 14.074 -3.612 1.00 0.00 H new ATOM 528 N VAL A 35 -3.249 10.994 -4.282 1.00 0.00 N ATOM 529 CA VAL A 35 -4.095 9.964 -4.939 1.00 0.00 C ATOM 530 C VAL A 35 -5.127 9.457 -3.935 1.00 0.00 C ATOM 531 O VAL A 35 -6.234 9.102 -4.290 1.00 0.00 O ATOM 532 CB VAL A 35 -3.217 8.799 -5.403 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.104 7.664 -5.916 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.295 9.274 -6.529 1.00 0.00 C ATOM 0 H VAL A 35 -2.255 10.769 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.601 10.397 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.617 8.441 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.479 6.835 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.762 7.326 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.705 8.021 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.669 8.446 -6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.896 9.632 -7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.662 10.083 -6.164 1.00 0.00 H new ATOM 544 N ILE A 36 -4.770 9.417 -2.681 1.00 0.00 N ATOM 545 CA ILE A 36 -5.729 8.930 -1.653 1.00 0.00 C ATOM 546 C ILE A 36 -6.652 10.068 -1.225 1.00 0.00 C ATOM 547 O ILE A 36 -6.227 11.053 -0.657 1.00 0.00 O ATOM 548 CB ILE A 36 -4.957 8.430 -0.434 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.002 7.319 -0.854 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.933 7.875 0.597 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.100 6.953 0.326 1.00 0.00 C ATOM 0 H ILE A 36 -3.857 9.700 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.323 8.119 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.395 9.259 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.565 6.445 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.398 7.644 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.380 7.519 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.624 8.660 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.493 7.049 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.416 6.158 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.528 7.829 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.713 6.611 1.160 1.00 0.00 H new ATOM 563 N ASP A 37 -7.918 9.924 -1.487 1.00 0.00 N ATOM 564 CA ASP A 37 -8.898 10.967 -1.100 1.00 0.00 C ATOM 565 C ASP A 37 -9.847 10.384 -0.052 1.00 0.00 C ATOM 566 O ASP A 37 -9.689 9.258 0.378 1.00 0.00 O ATOM 567 CB ASP A 37 -9.694 11.385 -2.335 1.00 0.00 C ATOM 568 CG ASP A 37 -8.781 12.137 -3.304 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.678 12.474 -2.906 1.00 0.00 O ATOM 570 OD2 ASP A 37 -9.200 12.362 -4.427 1.00 0.00 O ATOM 0 H ASP A 37 -8.319 9.115 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.383 11.835 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.114 10.506 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.532 12.018 -2.043 1.00 0.00 H new ATOM 575 N ALA A 38 -10.835 11.128 0.360 1.00 0.00 N ATOM 576 CA ALA A 38 -11.784 10.590 1.373 1.00 0.00 C ATOM 577 C ALA A 38 -12.423 9.327 0.804 1.00 0.00 C ATOM 578 O ALA A 38 -12.373 8.265 1.396 1.00 0.00 O ATOM 579 CB ALA A 38 -12.868 11.629 1.668 1.00 0.00 C ATOM 0 H ALA A 38 -11.026 12.078 0.042 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.257 10.361 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.561 11.232 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.406 12.538 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.411 11.859 0.751 1.00 0.00 H new ATOM 585 N LEU A 39 -12.985 9.426 -0.365 1.00 0.00 N ATOM 586 CA LEU A 39 -13.584 8.230 -1.001 1.00 0.00 C ATOM 587 C LEU A 39 -12.437 7.302 -1.364 1.00 0.00 C ATOM 588 O LEU A 39 -12.557 6.093 -1.336 1.00 0.00 O ATOM 589 CB LEU A 39 -14.344 8.637 -2.262 1.00 0.00 C ATOM 590 CG LEU A 39 -15.371 9.714 -1.918 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.260 9.980 -3.133 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.235 9.241 -0.746 1.00 0.00 C ATOM 0 H LEU A 39 -13.054 10.287 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.286 7.739 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.648 9.011 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.843 7.769 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.854 10.632 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.993 10.749 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.645 10.319 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.777 9.062 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.968 10.010 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.752 8.322 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.601 9.054 0.121 1.00 0.00 H new ATOM 604 N GLY A 40 -11.313 7.877 -1.692 1.00 0.00 N ATOM 605 CA GLY A 40 -10.133 7.057 -2.046 1.00 0.00 C ATOM 606 C GLY A 40 -9.789 6.158 -0.863 1.00 0.00 C ATOM 607 O GLY A 40 -9.474 4.995 -1.020 1.00 0.00 O ATOM 0 H GLY A 40 -11.166 8.886 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.343 6.455 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.287 7.699 -2.291 1.00 0.00 H new ATOM 611 N LEU A 41 -9.868 6.686 0.328 1.00 0.00 N ATOM 612 CA LEU A 41 -9.572 5.865 1.527 1.00 0.00 C ATOM 613 C LEU A 41 -10.625 4.765 1.639 1.00 0.00 C ATOM 614 O LEU A 41 -10.325 3.623 1.933 1.00 0.00 O ATOM 615 CB LEU A 41 -9.614 6.760 2.765 1.00 0.00 C ATOM 616 CG LEU A 41 -9.230 5.951 4.000 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.358 6.812 4.915 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.501 5.540 4.747 1.00 0.00 C ATOM 0 H LEU A 41 -10.126 7.654 0.519 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.583 5.413 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.930 7.600 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.613 7.178 2.889 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.677 5.060 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.081 6.238 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.457 7.113 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.914 7.699 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.233 4.961 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.049 6.432 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.127 4.934 4.093 1.00 0.00 H new ATOM 630 N LEU A 42 -11.860 5.099 1.391 1.00 0.00 N ATOM 631 CA LEU A 42 -12.934 4.073 1.467 1.00 0.00 C ATOM 632 C LEU A 42 -12.628 2.969 0.457 1.00 0.00 C ATOM 633 O LEU A 42 -12.715 1.794 0.754 1.00 0.00 O ATOM 634 CB LEU A 42 -14.273 4.729 1.108 1.00 0.00 C ATOM 635 CG LEU A 42 -15.397 3.691 1.152 1.00 0.00 C ATOM 636 CD1 LEU A 42 -16.104 3.754 2.506 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.397 3.986 0.033 1.00 0.00 C ATOM 0 H LEU A 42 -12.171 6.037 1.139 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.986 3.654 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.488 5.539 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.215 5.171 0.113 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.979 2.694 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.904 3.014 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.388 3.545 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.525 4.749 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.200 3.250 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.814 4.983 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.890 3.936 -0.931 1.00 0.00 H new ATOM 649 N LYS A 43 -12.271 3.344 -0.733 1.00 0.00 N ATOM 650 CA LYS A 43 -11.958 2.332 -1.772 1.00 0.00 C ATOM 651 C LYS A 43 -10.783 1.468 -1.307 1.00 0.00 C ATOM 652 O LYS A 43 -10.723 0.285 -1.583 1.00 0.00 O ATOM 653 CB LYS A 43 -11.585 3.037 -3.073 1.00 0.00 C ATOM 654 CG LYS A 43 -12.806 3.770 -3.632 1.00 0.00 C ATOM 655 CD LYS A 43 -12.458 4.374 -4.993 1.00 0.00 C ATOM 656 CE LYS A 43 -13.640 5.203 -5.503 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.284 6.650 -5.471 1.00 0.00 N ATOM 0 H LYS A 43 -12.182 4.315 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.831 1.700 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.775 3.744 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.221 2.311 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.644 3.080 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.120 4.555 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.571 5.001 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.222 3.582 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.896 4.903 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.519 5.020 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.087 7.213 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.060 6.931 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.456 6.817 -6.078 1.00 0.00 H new ATOM 671 N VAL A 44 -9.845 2.051 -0.610 1.00 0.00 N ATOM 672 CA VAL A 44 -8.673 1.261 -0.137 1.00 0.00 C ATOM 673 C VAL A 44 -9.155 0.123 0.761 1.00 0.00 C ATOM 674 O VAL A 44 -8.801 -1.022 0.573 1.00 0.00 O ATOM 675 CB VAL A 44 -7.734 2.173 0.654 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.660 1.328 1.342 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.066 3.165 -0.301 1.00 0.00 C ATOM 0 H VAL A 44 -9.840 3.037 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.142 0.846 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.305 2.717 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.991 1.978 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.134 0.619 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.089 0.784 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.396 3.816 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.496 2.619 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.830 3.767 -0.793 1.00 0.00 H new ATOM 687 N ILE A 45 -9.966 0.428 1.731 1.00 0.00 N ATOM 688 CA ILE A 45 -10.480 -0.631 2.640 1.00 0.00 C ATOM 689 C ILE A 45 -11.432 -1.568 1.887 1.00 0.00 C ATOM 690 O ILE A 45 -11.561 -2.729 2.219 1.00 0.00 O ATOM 691 CB ILE A 45 -11.225 0.028 3.802 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.228 0.716 4.745 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.998 -1.037 4.571 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.918 2.124 4.235 1.00 0.00 C ATOM 0 H ILE A 45 -10.297 1.371 1.935 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.641 -1.216 3.017 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.915 0.775 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.642 0.767 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.310 0.132 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.531 -0.572 5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.713 -1.519 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.303 -1.782 4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.210 2.607 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.485 2.062 3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.838 2.708 4.196 1.00 0.00 H new ATOM 706 N ALA A 46 -12.124 -1.068 0.899 1.00 0.00 N ATOM 707 CA ALA A 46 -13.091 -1.930 0.155 1.00 0.00 C ATOM 708 C ALA A 46 -12.371 -3.058 -0.592 1.00 0.00 C ATOM 709 O ALA A 46 -12.755 -4.210 -0.506 1.00 0.00 O ATOM 710 CB ALA A 46 -13.850 -1.071 -0.854 1.00 0.00 C ATOM 0 H ALA A 46 -12.063 -0.103 0.575 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.777 -2.377 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.558 -1.693 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.390 -0.283 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.145 -0.623 -1.554 1.00 0.00 H new ATOM 716 N TRP A 47 -11.344 -2.752 -1.331 1.00 0.00 N ATOM 717 CA TRP A 47 -10.635 -3.831 -2.079 1.00 0.00 C ATOM 718 C TRP A 47 -9.664 -4.559 -1.152 1.00 0.00 C ATOM 719 O TRP A 47 -9.563 -5.769 -1.171 1.00 0.00 O ATOM 720 CB TRP A 47 -9.865 -3.229 -3.257 1.00 0.00 C ATOM 721 CG TRP A 47 -8.410 -3.545 -3.116 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.853 -4.767 -3.275 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.323 -2.639 -2.795 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.488 -4.666 -3.059 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.115 -3.370 -2.761 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.276 -1.267 -2.529 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.898 -2.752 -2.471 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.056 -0.637 -2.237 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.867 -1.380 -2.207 1.00 0.00 C ATOM 0 H TRP A 47 -10.966 -1.812 -1.451 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.372 -4.541 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.246 -3.629 -4.197 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.012 -2.149 -3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.384 -5.672 -3.529 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.839 -5.451 -3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.187 -0.687 -2.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.986 -3.330 -2.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.033 0.424 -2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.930 -0.893 -1.980 1.00 0.00 H new ATOM 740 N LEU A 48 -8.939 -3.835 -0.346 1.00 0.00 N ATOM 741 CA LEU A 48 -7.968 -4.499 0.565 1.00 0.00 C ATOM 742 C LEU A 48 -8.719 -5.482 1.468 1.00 0.00 C ATOM 743 O LEU A 48 -8.281 -6.592 1.692 1.00 0.00 O ATOM 744 CB LEU A 48 -7.271 -3.430 1.420 1.00 0.00 C ATOM 745 CG LEU A 48 -5.906 -3.931 1.914 1.00 0.00 C ATOM 746 CD1 LEU A 48 -6.065 -5.242 2.684 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.984 -4.155 0.713 1.00 0.00 C ATOM 0 H LEU A 48 -8.977 -2.818 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.221 -5.042 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.139 -2.519 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.900 -3.173 2.273 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.475 -3.183 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.088 -5.583 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.716 -5.082 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.504 -5.996 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.014 -4.511 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.426 -4.897 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.854 -3.217 0.174 1.00 0.00 H new ATOM 759 N GLU A 49 -9.849 -5.088 1.985 1.00 0.00 N ATOM 760 CA GLU A 49 -10.617 -6.007 2.867 1.00 0.00 C ATOM 761 C GLU A 49 -11.245 -7.125 2.030 1.00 0.00 C ATOM 762 O GLU A 49 -11.351 -8.254 2.466 1.00 0.00 O ATOM 763 CB GLU A 49 -11.705 -5.217 3.597 1.00 0.00 C ATOM 764 CG GLU A 49 -12.897 -4.994 2.669 1.00 0.00 C ATOM 765 CD GLU A 49 -13.806 -6.227 2.671 1.00 0.00 C ATOM 766 OE1 GLU A 49 -13.767 -6.971 3.638 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.528 -6.406 1.704 1.00 0.00 O ATOM 0 H GLU A 49 -10.272 -4.172 1.835 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.947 -6.455 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.023 -5.758 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.308 -4.258 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.459 -4.118 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.547 -4.793 1.657 1.00 0.00 H new ATOM 774 N ASP A 50 -11.667 -6.819 0.834 1.00 0.00 N ATOM 775 CA ASP A 50 -12.295 -7.861 -0.027 1.00 0.00 C ATOM 776 C ASP A 50 -11.310 -9.004 -0.294 1.00 0.00 C ATOM 777 O ASP A 50 -11.687 -10.159 -0.347 1.00 0.00 O ATOM 778 CB ASP A 50 -12.704 -7.231 -1.356 1.00 0.00 C ATOM 779 CG ASP A 50 -13.534 -8.232 -2.164 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.829 -9.290 -1.633 1.00 0.00 O ATOM 781 OD2 ASP A 50 -13.860 -7.923 -3.298 1.00 0.00 O ATOM 0 H ASP A 50 -11.604 -5.891 0.415 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.169 -8.263 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.282 -6.324 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.818 -6.939 -1.920 1.00 0.00 H new ATOM 786 N ARG A 51 -10.058 -8.694 -0.486 1.00 0.00 N ATOM 787 CA ARG A 51 -9.059 -9.762 -0.775 1.00 0.00 C ATOM 788 C ARG A 51 -8.978 -10.769 0.374 1.00 0.00 C ATOM 789 O ARG A 51 -8.870 -11.959 0.149 1.00 0.00 O ATOM 790 CB ARG A 51 -7.692 -9.124 -0.991 1.00 0.00 C ATOM 791 CG ARG A 51 -7.715 -8.300 -2.278 1.00 0.00 C ATOM 792 CD ARG A 51 -6.317 -7.749 -2.559 1.00 0.00 C ATOM 793 NE ARG A 51 -5.394 -8.875 -2.876 1.00 0.00 N ATOM 794 CZ ARG A 51 -4.276 -8.646 -3.510 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.966 -7.429 -3.865 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.469 -9.633 -3.788 1.00 0.00 N ATOM 0 H ARG A 51 -9.683 -7.746 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.372 -10.295 -1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.437 -8.488 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.924 -9.895 -1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.048 -8.918 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.428 -7.481 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.352 -7.047 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.951 -7.197 -1.693 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.636 -9.826 -2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.597 -6.658 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.093 -7.249 -4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.712 -10.584 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.596 -9.454 -4.283 1.00 0.00 H new ATOM 810 N PHE A 52 -9.018 -10.317 1.600 1.00 0.00 N ATOM 811 CA PHE A 52 -8.927 -11.269 2.741 1.00 0.00 C ATOM 812 C PHE A 52 -10.295 -11.421 3.407 1.00 0.00 C ATOM 813 O PHE A 52 -10.508 -12.308 4.210 1.00 0.00 O ATOM 814 CB PHE A 52 -7.903 -10.738 3.742 1.00 0.00 C ATOM 815 CG PHE A 52 -6.524 -10.900 3.153 1.00 0.00 C ATOM 816 CD1 PHE A 52 -6.028 -9.940 2.265 1.00 0.00 C ATOM 817 CD2 PHE A 52 -5.748 -12.017 3.483 1.00 0.00 C ATOM 818 CE1 PHE A 52 -4.754 -10.094 1.708 1.00 0.00 C ATOM 819 CE2 PHE A 52 -4.473 -12.173 2.925 1.00 0.00 C ATOM 820 CZ PHE A 52 -3.976 -11.210 2.037 1.00 0.00 C ATOM 0 H PHE A 52 -9.109 -9.334 1.858 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.612 -12.249 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.099 -9.689 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.978 -11.281 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.629 -9.080 2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.132 -12.758 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.371 -9.351 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.874 -13.035 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.993 -11.329 1.606 1.00 0.00 H new ATOM 830 N GLY A 53 -11.228 -10.573 3.076 1.00 0.00 N ATOM 831 CA GLY A 53 -12.578 -10.683 3.685 1.00 0.00 C ATOM 832 C GLY A 53 -12.495 -10.288 5.155 1.00 0.00 C ATOM 833 O GLY A 53 -13.239 -10.777 5.981 1.00 0.00 O ATOM 0 H GLY A 53 -11.112 -9.809 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.281 -10.036 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.952 -11.703 3.590 1.00 0.00 H new ATOM 837 N ILE A 54 -11.591 -9.412 5.491 1.00 0.00 N ATOM 838 CA ILE A 54 -11.467 -9.003 6.914 1.00 0.00 C ATOM 839 C ILE A 54 -12.303 -7.744 7.162 1.00 0.00 C ATOM 840 O ILE A 54 -12.146 -6.739 6.502 1.00 0.00 O ATOM 841 CB ILE A 54 -9.996 -8.739 7.251 1.00 0.00 C ATOM 842 CG1 ILE A 54 -9.369 -7.838 6.181 1.00 0.00 C ATOM 843 CG2 ILE A 54 -9.243 -10.071 7.300 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.908 -7.559 6.542 1.00 0.00 C ATOM 0 H ILE A 54 -10.938 -8.965 4.847 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.835 -9.804 7.555 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.931 -8.242 8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.428 -8.319 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.922 -6.902 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.195 -9.888 7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.684 -10.710 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.313 -10.564 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.461 -6.918 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.861 -7.060 7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.360 -8.500 6.592 1.00 0.00 H new ATOM 856 N ALA A 55 -13.200 -7.797 8.108 1.00 0.00 N ATOM 857 CA ALA A 55 -14.054 -6.609 8.393 1.00 0.00 C ATOM 858 C ALA A 55 -13.190 -5.465 8.924 1.00 0.00 C ATOM 859 O ALA A 55 -12.282 -5.670 9.704 1.00 0.00 O ATOM 860 CB ALA A 55 -15.106 -6.980 9.439 1.00 0.00 C ATOM 0 H ALA A 55 -13.379 -8.611 8.696 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.546 -6.290 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.732 -6.113 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.726 -7.792 9.059 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.611 -7.301 10.355 1.00 0.00 H new ATOM 866 N ALA A 56 -13.471 -4.260 8.508 1.00 0.00 N ATOM 867 CA ALA A 56 -12.671 -3.101 8.990 1.00 0.00 C ATOM 868 C ALA A 56 -12.892 -2.921 10.493 1.00 0.00 C ATOM 869 O ALA A 56 -12.017 -2.486 11.211 1.00 0.00 O ATOM 870 CB ALA A 56 -13.113 -1.834 8.254 1.00 0.00 C ATOM 0 H ALA A 56 -14.220 -4.029 7.855 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.614 -3.283 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.527 -0.985 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.957 -1.962 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.170 -1.651 8.447 1.00 0.00 H new ATOM 876 N ASP A 57 -14.058 -3.248 10.973 1.00 0.00 N ATOM 877 CA ASP A 57 -14.338 -3.093 12.425 1.00 0.00 C ATOM 878 C ASP A 57 -13.337 -3.916 13.241 1.00 0.00 C ATOM 879 O ASP A 57 -12.902 -3.509 14.300 1.00 0.00 O ATOM 880 CB ASP A 57 -15.755 -3.579 12.717 1.00 0.00 C ATOM 881 CG ASP A 57 -16.765 -2.632 12.065 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.355 -1.567 11.632 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.930 -2.988 12.011 1.00 0.00 O ATOM 0 H ASP A 57 -14.831 -3.617 10.420 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.243 -2.043 12.701 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.890 -4.591 12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.922 -3.620 13.793 1.00 0.00 H new ATOM 888 N ASP A 58 -12.974 -5.072 12.761 1.00 0.00 N ATOM 889 CA ASP A 58 -12.008 -5.923 13.514 1.00 0.00 C ATOM 890 C ASP A 58 -10.700 -5.160 13.733 1.00 0.00 C ATOM 891 O ASP A 58 -10.100 -5.232 14.787 1.00 0.00 O ATOM 892 CB ASP A 58 -11.728 -7.197 12.721 1.00 0.00 C ATOM 893 CG ASP A 58 -12.990 -8.060 12.676 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.913 -7.764 13.417 1.00 0.00 O ATOM 895 OD2 ASP A 58 -13.013 -9.003 11.901 1.00 0.00 O ATOM 0 H ASP A 58 -13.304 -5.466 11.880 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.437 -6.181 14.482 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.411 -6.945 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.911 -7.753 13.182 1.00 0.00 H new ATOM 900 N VAL A 59 -10.254 -4.430 12.747 1.00 0.00 N ATOM 901 CA VAL A 59 -8.983 -3.661 12.894 1.00 0.00 C ATOM 902 C VAL A 59 -9.227 -2.195 12.533 1.00 0.00 C ATOM 903 O VAL A 59 -9.837 -1.889 11.529 1.00 0.00 O ATOM 904 CB VAL A 59 -7.925 -4.246 11.961 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.592 -3.529 12.187 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.757 -5.738 12.252 1.00 0.00 C ATOM 0 H VAL A 59 -10.716 -4.332 11.843 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.636 -3.727 13.925 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.239 -4.111 10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.837 -3.947 11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.711 -2.466 11.979 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.277 -3.663 13.222 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.002 -6.156 11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.443 -5.874 13.287 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.706 -6.249 12.091 1.00 0.00 H new ATOM 916 N GLU A 60 -8.751 -1.284 13.334 1.00 0.00 N ATOM 917 CA GLU A 60 -8.960 0.157 13.021 1.00 0.00 C ATOM 918 C GLU A 60 -7.808 0.658 12.149 1.00 0.00 C ATOM 919 O GLU A 60 -6.651 0.460 12.459 1.00 0.00 O ATOM 920 CB GLU A 60 -9.003 0.961 14.323 1.00 0.00 C ATOM 921 CG GLU A 60 -9.360 2.411 14.015 1.00 0.00 C ATOM 922 CD GLU A 60 -9.302 3.237 15.302 1.00 0.00 C ATOM 923 OE1 GLU A 60 -8.972 2.672 16.332 1.00 0.00 O ATOM 924 OE2 GLU A 60 -9.587 4.421 15.236 1.00 0.00 O ATOM 0 H GLU A 60 -8.228 -1.473 14.189 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.902 0.282 12.487 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.738 0.531 15.004 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.037 0.912 14.825 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.668 2.818 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.358 2.466 13.580 1.00 0.00 H new ATOM 931 N LEU A 61 -8.117 1.304 11.058 1.00 0.00 N ATOM 932 CA LEU A 61 -7.046 1.813 10.166 1.00 0.00 C ATOM 933 C LEU A 61 -6.758 3.279 10.490 1.00 0.00 C ATOM 934 O LEU A 61 -7.660 4.081 10.635 1.00 0.00 O ATOM 935 CB LEU A 61 -7.499 1.696 8.711 1.00 0.00 C ATOM 936 CG LEU A 61 -7.448 0.232 8.267 1.00 0.00 C ATOM 937 CD1 LEU A 61 -5.998 -0.258 8.262 1.00 0.00 C ATOM 938 CD2 LEU A 61 -8.274 -0.628 9.227 1.00 0.00 C ATOM 0 H LEU A 61 -9.069 1.500 10.748 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.141 1.225 10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.512 2.083 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.858 2.302 8.071 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.860 0.150 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.967 -1.301 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.411 0.348 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.581 -0.171 9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.235 -1.669 8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.867 -0.542 10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.309 -0.286 9.223 1.00 0.00 H new ATOM 950 N SER A 62 -5.506 3.637 10.595 1.00 0.00 N ATOM 951 CA SER A 62 -5.150 5.048 10.899 1.00 0.00 C ATOM 952 C SER A 62 -4.521 5.673 9.654 1.00 0.00 C ATOM 953 O SER A 62 -3.989 4.983 8.811 1.00 0.00 O ATOM 954 CB SER A 62 -4.150 5.086 12.053 1.00 0.00 C ATOM 955 OG SER A 62 -3.077 5.956 11.716 1.00 0.00 O ATOM 0 H SER A 62 -4.712 3.007 10.482 1.00 0.00 H new ATOM 0 HA SER A 62 -6.043 5.605 11.184 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.641 5.431 12.963 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.771 4.084 12.255 1.00 0.00 H new ATOM 0 HG SER A 62 -2.434 5.984 12.455 1.00 0.00 H new ATOM 961 N PRO A 63 -4.573 6.969 9.542 1.00 0.00 N ATOM 962 CA PRO A 63 -3.996 7.690 8.375 1.00 0.00 C ATOM 963 C PRO A 63 -2.523 7.327 8.157 1.00 0.00 C ATOM 964 O PRO A 63 -1.994 7.456 7.070 1.00 0.00 O ATOM 965 CB PRO A 63 -4.136 9.177 8.734 1.00 0.00 C ATOM 966 CG PRO A 63 -4.524 9.226 10.179 1.00 0.00 C ATOM 967 CD PRO A 63 -5.182 7.888 10.505 1.00 0.00 C ATOM 0 HA PRO A 63 -4.506 7.429 7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.199 9.708 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.891 9.658 8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.650 9.390 10.809 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.211 10.051 10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.985 7.583 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.265 7.933 10.388 1.00 0.00 H new ATOM 975 N GLU A 64 -1.860 6.866 9.184 1.00 0.00 N ATOM 976 CA GLU A 64 -0.431 6.485 9.048 1.00 0.00 C ATOM 977 C GLU A 64 -0.323 5.225 8.198 1.00 0.00 C ATOM 978 O GLU A 64 0.671 4.989 7.545 1.00 0.00 O ATOM 979 CB GLU A 64 0.155 6.224 10.433 1.00 0.00 C ATOM 980 CG GLU A 64 0.132 7.511 11.248 1.00 0.00 C ATOM 981 CD GLU A 64 0.791 7.268 12.608 1.00 0.00 C ATOM 982 OE1 GLU A 64 1.068 6.120 12.913 1.00 0.00 O ATOM 983 OE2 GLU A 64 1.006 8.235 13.321 1.00 0.00 O ATOM 0 H GLU A 64 -2.253 6.737 10.116 1.00 0.00 H new ATOM 0 HA GLU A 64 0.122 7.292 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.419 5.449 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.177 5.857 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.658 8.302 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.895 7.848 11.385 1.00 0.00 H new ATOM 990 N HIS A 65 -1.340 4.412 8.200 1.00 0.00 N ATOM 991 CA HIS A 65 -1.295 3.166 7.391 1.00 0.00 C ATOM 992 C HIS A 65 -1.251 3.535 5.914 1.00 0.00 C ATOM 993 O HIS A 65 -0.861 2.749 5.074 1.00 0.00 O ATOM 994 CB HIS A 65 -2.548 2.337 7.665 1.00 0.00 C ATOM 995 CG HIS A 65 -2.865 1.485 6.466 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.713 0.104 6.474 1.00 0.00 N ATOM 997 CD2 HIS A 65 -3.336 1.803 5.216 1.00 0.00 C ATOM 998 CE1 HIS A 65 -3.090 -0.350 5.264 1.00 0.00 C ATOM 999 NE2 HIS A 65 -3.477 0.643 4.464 1.00 0.00 N ATOM 0 H HIS A 65 -2.201 4.557 8.727 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.410 2.587 7.656 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.394 1.706 8.541 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.389 2.994 7.889 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.377 -0.462 7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.562 2.801 4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.080 -1.391 4.977 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.653 4.728 5.595 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.646 5.162 4.178 1.00 0.00 C ATOM 1010 C PHE A 66 -0.388 5.988 3.915 1.00 0.00 C ATOM 1011 O PHE A 66 -0.285 6.696 2.933 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.886 6.011 3.906 1.00 0.00 C ATOM 1013 CG PHE A 66 -4.114 5.302 4.427 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.346 5.226 5.805 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -5.026 4.731 3.531 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.491 4.579 6.288 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -6.169 4.083 4.015 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.400 4.008 5.395 1.00 0.00 C ATOM 0 H PHE A 66 -1.988 5.425 6.260 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.653 4.292 3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.785 6.984 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.986 6.193 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.642 5.666 6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.848 4.790 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.671 4.522 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.872 3.641 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.282 3.508 5.768 1.00 0.00 H new ATOM 1028 N ARG A 67 0.561 5.904 4.798 1.00 0.00 N ATOM 1029 CA ARG A 67 1.817 6.679 4.639 1.00 0.00 C ATOM 1030 C ARG A 67 2.446 6.409 3.267 1.00 0.00 C ATOM 1031 O ARG A 67 3.011 7.293 2.655 1.00 0.00 O ATOM 1032 CB ARG A 67 2.777 6.252 5.747 1.00 0.00 C ATOM 1033 CG ARG A 67 3.161 4.784 5.539 1.00 0.00 C ATOM 1034 CD ARG A 67 3.272 4.059 6.883 1.00 0.00 C ATOM 1035 NE ARG A 67 4.391 3.081 6.822 1.00 0.00 N ATOM 1036 CZ ARG A 67 5.618 3.483 7.005 1.00 0.00 C ATOM 1037 NH1 ARG A 67 5.863 4.740 7.259 1.00 0.00 N ATOM 1038 NH2 ARG A 67 6.600 2.629 6.936 1.00 0.00 N ATOM 0 H ARG A 67 0.519 5.323 5.635 1.00 0.00 H new ATOM 0 HA ARG A 67 1.607 7.746 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.668 6.879 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.308 6.384 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.414 4.292 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.111 4.723 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.445 4.778 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.338 3.546 7.111 1.00 0.00 H new ATOM 0 HE ARG A 67 4.199 2.096 6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.094 5.408 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.823 5.054 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.409 1.647 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.560 2.943 7.079 1.00 0.00 H new ATOM 1052 N SER A 68 2.364 5.200 2.773 1.00 0.00 N ATOM 1053 CA SER A 68 2.972 4.910 1.442 1.00 0.00 C ATOM 1054 C SER A 68 2.511 3.546 0.933 1.00 0.00 C ATOM 1055 O SER A 68 2.060 2.706 1.685 1.00 0.00 O ATOM 1056 CB SER A 68 4.498 4.907 1.564 1.00 0.00 C ATOM 1057 OG SER A 68 5.067 4.572 0.305 1.00 0.00 O ATOM 0 H SER A 68 1.907 4.410 3.229 1.00 0.00 H new ATOM 0 HA SER A 68 2.656 5.681 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.851 5.886 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.813 4.189 2.321 1.00 0.00 H new ATOM 0 HG SER A 68 6.000 4.872 0.277 1.00 0.00 H new ATOM 1063 N ILE A 69 2.643 3.318 -0.344 1.00 0.00 N ATOM 1064 CA ILE A 69 2.240 2.011 -0.917 1.00 0.00 C ATOM 1065 C ILE A 69 3.029 0.919 -0.199 1.00 0.00 C ATOM 1066 O ILE A 69 2.550 -0.176 0.020 1.00 0.00 O ATOM 1067 CB ILE A 69 2.576 1.989 -2.406 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.159 3.317 -3.037 1.00 0.00 C ATOM 1069 CG2 ILE A 69 1.813 0.852 -3.075 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.390 4.208 -3.208 1.00 0.00 C ATOM 0 H ILE A 69 3.016 3.988 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 69 1.169 1.850 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 69 3.648 1.841 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.687 3.140 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.421 3.815 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.049 0.832 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.101 -0.096 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.742 1.006 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.094 5.155 -3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.842 4.395 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.113 3.710 -3.854 1.00 0.00 H new ATOM 1082 N ARG A 70 4.244 1.223 0.167 1.00 0.00 N ATOM 1083 CA ARG A 70 5.092 0.224 0.871 1.00 0.00 C ATOM 1084 C ARG A 70 4.367 -0.247 2.132 1.00 0.00 C ATOM 1085 O ARG A 70 4.362 -1.417 2.461 1.00 0.00 O ATOM 1086 CB ARG A 70 6.397 0.902 1.290 1.00 0.00 C ATOM 1087 CG ARG A 70 7.100 1.482 0.066 1.00 0.00 C ATOM 1088 CD ARG A 70 8.058 2.585 0.521 1.00 0.00 C ATOM 1089 NE ARG A 70 9.079 2.010 1.440 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.118 1.387 0.955 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.262 1.268 -0.337 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.011 0.883 1.761 1.00 0.00 N ATOM 0 H ARG A 70 4.687 2.128 0.007 1.00 0.00 H new ATOM 0 HA ARG A 70 5.292 -0.623 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.190 1.694 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.048 0.182 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.648 0.700 -0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.368 1.884 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.545 3.037 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.504 3.377 1.026 1.00 0.00 H new ATOM 0 HE ARG A 70 8.966 2.103 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.563 1.662 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.074 0.781 -0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.897 0.976 2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.823 0.396 1.382 1.00 0.00 H new ATOM 1106 N SER A 71 3.754 0.661 2.839 1.00 0.00 N ATOM 1107 CA SER A 71 3.028 0.280 4.078 1.00 0.00 C ATOM 1108 C SER A 71 1.806 -0.565 3.717 1.00 0.00 C ATOM 1109 O SER A 71 1.406 -1.444 4.456 1.00 0.00 O ATOM 1110 CB SER A 71 2.573 1.546 4.798 1.00 0.00 C ATOM 1111 OG SER A 71 1.517 2.150 4.063 1.00 0.00 O ATOM 0 H SER A 71 3.726 1.654 2.609 1.00 0.00 H new ATOM 0 HA SER A 71 3.687 -0.298 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.238 1.304 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.407 2.241 4.897 1.00 0.00 H new ATOM 0 HG SER A 71 1.668 2.017 3.104 1.00 0.00 H new ATOM 1117 N ILE A 72 1.204 -0.301 2.590 1.00 0.00 N ATOM 1118 CA ILE A 72 0.008 -1.078 2.187 1.00 0.00 C ATOM 1119 C ILE A 72 0.383 -2.553 2.034 1.00 0.00 C ATOM 1120 O ILE A 72 -0.259 -3.427 2.583 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.507 -0.536 0.857 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.793 0.962 0.997 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.791 -1.263 0.478 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.299 1.512 -0.338 1.00 0.00 C ATOM 0 H ILE A 72 1.493 0.423 1.932 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.768 -0.986 2.947 1.00 0.00 H new ATOM 0 HB ILE A 72 0.243 -0.694 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.536 1.130 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.112 1.489 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.161 -0.877 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.590 -2.330 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.542 -1.103 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.503 2.578 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.541 1.357 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.214 0.993 -0.622 1.00 0.00 H new ATOM 1136 N ASP A 73 1.423 -2.838 1.299 1.00 0.00 N ATOM 1137 CA ASP A 73 1.838 -4.258 1.122 1.00 0.00 C ATOM 1138 C ASP A 73 2.198 -4.842 2.487 1.00 0.00 C ATOM 1139 O ASP A 73 1.864 -5.966 2.808 1.00 0.00 O ATOM 1140 CB ASP A 73 3.064 -4.319 0.208 1.00 0.00 C ATOM 1141 CG ASP A 73 3.275 -5.756 -0.270 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.438 -6.590 0.034 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.269 -5.999 -0.935 1.00 0.00 O ATOM 0 H ASP A 73 2.001 -2.151 0.815 1.00 0.00 H new ATOM 0 HA ASP A 73 1.023 -4.828 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.926 -3.657 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.947 -3.969 0.743 1.00 0.00 H new ATOM 1148 N ALA A 74 2.880 -4.077 3.292 1.00 0.00 N ATOM 1149 CA ALA A 74 3.276 -4.559 4.641 1.00 0.00 C ATOM 1150 C ALA A 74 2.032 -4.760 5.507 1.00 0.00 C ATOM 1151 O ALA A 74 1.955 -5.681 6.291 1.00 0.00 O ATOM 1152 CB ALA A 74 4.189 -3.520 5.292 1.00 0.00 C ATOM 0 H ALA A 74 3.182 -3.129 3.069 1.00 0.00 H new ATOM 0 HA ALA A 74 3.802 -5.509 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.485 -3.865 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.078 -3.380 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.657 -2.573 5.382 1.00 0.00 H new ATOM 1158 N PHE A 75 1.060 -3.902 5.377 1.00 0.00 N ATOM 1159 CA PHE A 75 -0.174 -4.047 6.200 1.00 0.00 C ATOM 1160 C PHE A 75 -0.853 -5.382 5.879 1.00 0.00 C ATOM 1161 O PHE A 75 -1.242 -6.119 6.763 1.00 0.00 O ATOM 1162 CB PHE A 75 -1.132 -2.902 5.888 1.00 0.00 C ATOM 1163 CG PHE A 75 -2.319 -2.970 6.820 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -2.244 -2.394 8.093 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.495 -3.611 6.410 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -3.343 -2.458 8.957 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.594 -3.675 7.274 1.00 0.00 C ATOM 1168 CZ PHE A 75 -4.519 -3.098 8.546 1.00 0.00 C ATOM 0 H PHE A 75 1.066 -3.107 4.738 1.00 0.00 H new ATOM 0 HA PHE A 75 0.092 -4.021 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.622 -1.946 6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.465 -2.965 4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.337 -1.900 8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.554 -4.056 5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.284 -2.014 9.940 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.500 -4.170 6.959 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.368 -3.146 9.211 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.993 -5.700 4.622 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.637 -6.984 4.242 1.00 0.00 C ATOM 1180 C VAL A 76 -0.817 -8.146 4.799 1.00 0.00 C ATOM 1181 O VAL A 76 -1.343 -9.062 5.401 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.676 -7.074 2.718 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.030 -8.497 2.303 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.732 -6.108 2.177 1.00 0.00 C ATOM 0 H VAL A 76 -0.687 -5.122 3.840 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.648 -7.032 4.646 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.699 -6.809 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.058 -8.562 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.279 -9.186 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.007 -8.762 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.760 -6.172 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.709 -6.373 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.480 -5.090 2.474 1.00 0.00 H new ATOM 1194 N VAL A 77 0.472 -8.112 4.605 1.00 0.00 N ATOM 1195 CA VAL A 77 1.339 -9.202 5.118 1.00 0.00 C ATOM 1196 C VAL A 77 1.383 -9.152 6.647 1.00 0.00 C ATOM 1197 O VAL A 77 1.305 -10.162 7.317 1.00 0.00 O ATOM 1198 CB VAL A 77 2.745 -9.003 4.559 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.716 -9.923 5.293 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.753 -9.341 3.067 1.00 0.00 C ATOM 0 H VAL A 77 0.963 -7.368 4.109 1.00 0.00 H new ATOM 0 HA VAL A 77 0.944 -10.170 4.808 1.00 0.00 H new ATOM 0 HB VAL A 77 3.049 -7.966 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.721 -9.783 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.710 -9.684 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.412 -10.960 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.757 -9.199 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.450 -10.379 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.057 -8.686 2.542 1.00 0.00 H new ATOM 1210 N GLY A 78 1.517 -7.979 7.199 1.00 0.00 N ATOM 1211 CA GLY A 78 1.578 -7.846 8.682 1.00 0.00 C ATOM 1212 C GLY A 78 0.263 -8.312 9.311 1.00 0.00 C ATOM 1213 O GLY A 78 0.251 -8.955 10.342 1.00 0.00 O ATOM 0 H GLY A 78 1.587 -7.101 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.406 -8.437 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.771 -6.808 8.953 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.846 -7.976 8.710 1.00 0.00 N ATOM 1218 CA ALA A 79 -2.161 -8.382 9.288 1.00 0.00 C ATOM 1219 C ALA A 79 -2.376 -9.891 9.145 1.00 0.00 C ATOM 1220 O ALA A 79 -2.866 -10.543 10.046 1.00 0.00 O ATOM 1221 CB ALA A 79 -3.283 -7.641 8.559 1.00 0.00 C ATOM 0 H ALA A 79 -0.899 -7.439 7.845 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.169 -8.128 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.245 -7.935 8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.148 -6.566 8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.257 -7.893 7.499 1.00 0.00 H new ATOM 1227 N THR A 80 -2.030 -10.455 8.022 1.00 0.00 N ATOM 1228 CA THR A 80 -2.235 -11.918 7.834 1.00 0.00 C ATOM 1229 C THR A 80 -1.034 -12.686 8.377 1.00 0.00 C ATOM 1230 O THR A 80 -1.158 -13.802 8.844 1.00 0.00 O ATOM 1231 CB THR A 80 -2.405 -12.220 6.343 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.204 -11.901 5.655 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.557 -11.383 5.781 1.00 0.00 C ATOM 0 H THR A 80 -1.615 -9.968 7.228 1.00 0.00 H new ATOM 0 HA THR A 80 -3.129 -12.228 8.375 1.00 0.00 H new ATOM 0 HB THR A 80 -2.628 -13.279 6.209 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.155 -10.932 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.678 -11.598 4.719 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.478 -11.631 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.336 -10.324 5.914 1.00 0.00 H new ATOM 1241 N THR A 81 0.127 -12.101 8.314 1.00 0.00 N ATOM 1242 CA THR A 81 1.338 -12.791 8.818 1.00 0.00 C ATOM 1243 C THR A 81 2.142 -11.829 9.697 1.00 0.00 C ATOM 1244 O THR A 81 2.070 -10.631 9.525 1.00 0.00 O ATOM 1245 CB THR A 81 2.187 -13.229 7.628 1.00 0.00 C ATOM 1246 OG1 THR A 81 1.872 -12.421 6.502 1.00 0.00 O ATOM 1247 CG2 THR A 81 1.897 -14.693 7.303 1.00 0.00 C ATOM 0 H THR A 81 0.287 -11.169 7.932 1.00 0.00 H new ATOM 0 HA THR A 81 1.053 -13.662 9.407 1.00 0.00 H new ATOM 0 HB THR A 81 3.243 -13.117 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.001 -11.477 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.504 -15.004 6.453 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.138 -15.312 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.842 -14.809 7.057 1.00 0.00 H new ATOM 1255 N PRO A 82 2.907 -12.342 10.626 1.00 0.00 N ATOM 1256 CA PRO A 82 3.733 -11.493 11.526 1.00 0.00 C ATOM 1257 C PRO A 82 4.437 -10.371 10.751 1.00 0.00 C ATOM 1258 O PRO A 82 4.668 -10.485 9.563 1.00 0.00 O ATOM 1259 CB PRO A 82 4.760 -12.466 12.102 1.00 0.00 C ATOM 1260 CG PRO A 82 4.133 -13.821 12.022 1.00 0.00 C ATOM 1261 CD PRO A 82 3.067 -13.775 10.922 1.00 0.00 C ATOM 0 HA PRO A 82 3.133 -10.997 12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.690 -12.432 11.535 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.005 -12.210 13.133 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.884 -14.578 11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.685 -14.093 12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.383 -14.330 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.130 -14.218 11.258 1.00 0.00 H new ATOM 1269 N PRO A 83 4.770 -9.295 11.414 1.00 0.00 N ATOM 1270 CA PRO A 83 5.451 -8.138 10.768 1.00 0.00 C ATOM 1271 C PRO A 83 6.771 -8.533 10.106 1.00 0.00 C ATOM 1272 O PRO A 83 7.489 -9.390 10.584 1.00 0.00 O ATOM 1273 CB PRO A 83 5.708 -7.148 11.907 1.00 0.00 C ATOM 1274 CG PRO A 83 5.454 -7.892 13.181 1.00 0.00 C ATOM 1275 CD PRO A 83 4.536 -9.063 12.843 1.00 0.00 C ATOM 0 HA PRO A 83 4.836 -7.722 9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.731 -6.775 11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.050 -6.283 11.825 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.390 -8.248 13.612 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.990 -7.240 13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.779 -9.945 13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.492 -8.822 13.043 1.00 0.00 H new ATOM 1283 N VAL A 84 7.095 -7.909 9.008 1.00 0.00 N ATOM 1284 CA VAL A 84 8.369 -8.240 8.309 1.00 0.00 C ATOM 1285 C VAL A 84 9.403 -7.146 8.584 1.00 0.00 C ATOM 1286 O VAL A 84 9.134 -5.973 8.419 1.00 0.00 O ATOM 1287 CB VAL A 84 8.116 -8.333 6.803 1.00 0.00 C ATOM 1288 CG1 VAL A 84 9.399 -8.768 6.094 1.00 0.00 C ATOM 1289 CG2 VAL A 84 7.013 -9.359 6.535 1.00 0.00 C ATOM 0 H VAL A 84 6.532 -7.183 8.564 1.00 0.00 H new ATOM 0 HA VAL A 84 8.745 -9.196 8.675 1.00 0.00 H new ATOM 0 HB VAL A 84 7.807 -7.358 6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.217 -8.834 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.186 -8.038 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.710 -9.743 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.832 -9.426 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.323 -10.333 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.098 -9.049 7.039 1.00 0.00 H new ATOM 1299 N GLU A 85 10.586 -7.526 8.993 1.00 0.00 N ATOM 1300 CA GLU A 85 11.649 -6.517 9.276 1.00 0.00 C ATOM 1301 C GLU A 85 11.036 -5.284 9.944 1.00 0.00 C ATOM 1302 O GLU A 85 11.585 -4.202 9.886 1.00 0.00 O ATOM 1303 CB GLU A 85 12.318 -6.103 7.963 1.00 0.00 C ATOM 1304 CG GLU A 85 12.990 -7.322 7.326 1.00 0.00 C ATOM 1305 CD GLU A 85 13.721 -6.895 6.052 1.00 0.00 C ATOM 1306 OE1 GLU A 85 13.538 -5.761 5.640 1.00 0.00 O ATOM 1307 OE2 GLU A 85 14.449 -7.708 5.509 1.00 0.00 O ATOM 0 H GLU A 85 10.862 -8.496 9.144 1.00 0.00 H new ATOM 0 HA GLU A 85 12.389 -6.955 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.577 -5.685 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.056 -5.323 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.693 -7.771 8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.244 -8.081 7.092 1.00 0.00 H new ATOM 1314 N ALA A 86 9.902 -5.439 10.576 1.00 0.00 N ATOM 1315 CA ALA A 86 9.248 -4.277 11.246 1.00 0.00 C ATOM 1316 C ALA A 86 9.393 -3.029 10.370 1.00 0.00 C ATOM 1317 O ALA A 86 10.353 -2.292 10.479 1.00 0.00 O ATOM 1318 CB ALA A 86 9.917 -4.029 12.600 1.00 0.00 C ATOM 0 H ALA A 86 9.400 -6.323 10.657 1.00 0.00 H new ATOM 0 HA ALA A 86 8.190 -4.493 11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.441 -3.180 13.091 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.813 -4.916 13.225 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.975 -3.814 12.449 1.00 0.00 H new ATOM 1324 N LYS A 87 8.449 -2.789 9.501 1.00 0.00 N ATOM 1325 CA LYS A 87 8.537 -1.590 8.620 1.00 0.00 C ATOM 1326 C LYS A 87 8.635 -0.329 9.482 1.00 0.00 C ATOM 1327 O LYS A 87 9.357 0.596 9.166 1.00 0.00 O ATOM 1328 CB LYS A 87 7.287 -1.507 7.742 1.00 0.00 C ATOM 1329 CG LYS A 87 7.440 -0.360 6.741 1.00 0.00 C ATOM 1330 CD LYS A 87 6.144 -0.202 5.939 1.00 0.00 C ATOM 1331 CE LYS A 87 6.331 0.865 4.858 1.00 0.00 C ATOM 1332 NZ LYS A 87 7.716 1.412 4.934 1.00 0.00 N ATOM 0 H LYS A 87 7.622 -3.370 9.363 1.00 0.00 H new ATOM 0 HA LYS A 87 9.421 -1.670 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.139 -2.448 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.405 -1.347 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.670 0.567 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.274 -0.560 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.870 -1.153 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.326 0.079 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.152 0.435 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.604 1.666 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.808 2.217 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.911 1.729 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.397 0.672 4.668 1.00 0.00 H new ATOM 1346 N LEU A 88 7.914 -0.284 10.569 1.00 0.00 N ATOM 1347 CA LEU A 88 7.967 0.917 11.449 1.00 0.00 C ATOM 1348 C LEU A 88 9.396 1.116 11.956 1.00 0.00 C ATOM 1349 O LEU A 88 9.858 2.227 12.121 1.00 0.00 O ATOM 1350 CB LEU A 88 7.027 0.719 12.641 1.00 0.00 C ATOM 1351 CG LEU A 88 5.606 0.448 12.138 1.00 0.00 C ATOM 1352 CD1 LEU A 88 4.656 0.335 13.332 1.00 0.00 C ATOM 1353 CD2 LEU A 88 5.154 1.602 11.239 1.00 0.00 C ATOM 0 H LEU A 88 7.291 -1.027 10.885 1.00 0.00 H new ATOM 0 HA LEU A 88 7.656 1.795 10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.371 -0.114 13.254 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.036 1.606 13.275 1.00 0.00 H new ATOM 0 HG LEU A 88 5.593 -0.483 11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.644 0.142 12.975 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.976 -0.485 13.975 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.670 1.267 13.897 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.143 1.410 10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.167 2.532 11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.830 1.687 10.388 1.00 0.00 H new ATOM 1365 N GLN A 89 10.101 0.046 12.206 1.00 0.00 N ATOM 1366 CA GLN A 89 11.500 0.175 12.703 1.00 0.00 C ATOM 1367 C GLN A 89 12.365 -0.921 12.077 1.00 0.00 C ATOM 1368 O GLN A 89 12.619 -1.905 12.750 1.00 0.00 O ATOM 1369 CB GLN A 89 11.516 0.030 14.226 1.00 0.00 C ATOM 1370 CG GLN A 89 10.735 1.184 14.858 1.00 0.00 C ATOM 1371 CD GLN A 89 10.711 1.012 16.379 1.00 0.00 C ATOM 1372 OE1 GLN A 89 10.987 -0.057 16.885 1.00 0.00 O ATOM 1373 NE2 GLN A 89 10.387 2.027 17.132 1.00 0.00 N ATOM 1374 OXT GLN A 89 12.760 -0.756 10.935 1.00 0.00 O ATOM 0 H GLN A 89 9.769 -0.911 12.088 1.00 0.00 H new ATOM 0 HA GLN A 89 11.895 1.153 12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.074 -0.923 14.516 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.543 0.029 14.591 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.197 2.136 14.596 1.00 0.00 H new ATOM 0 HG3 GLN A 89 9.718 1.205 14.468 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.155 2.924 16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.365 1.923 18.146 1.00 0.00 H new TER 1383 GLN A 89