USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 90 THR OG1 : rot 137:sc= 0.785 USER MOD Set 1.2: A 92 THR OG1 : rot 68:sc= 0.0163 USER MOD Set 2.1: A 41 THR OG1 : rot -123:sc= 0.856 USER MOD Set 2.2: A 43 ASN : amide:sc= 0.497 K(o=1.4,f=-1.8) USER MOD Set 3.1: A 32 THR OG1 : rot 180:sc= 0.803 USER MOD Set 3.2: A 35 SER OG : rot -21:sc= 0.66 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0763 K(o=-0.076,f=-0.58) USER MOD Single : A 11 TYR OH : rot 0:sc= -0.0288 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.491 K(o=0.49,f=-4.1!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.062 K(o=-0.062,f=-1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.35) USER MOD Single : A 29 ASN : amide:sc= 0.0112 X(o=0.011,f=-0.029) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -39:sc= 0.644 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0.513 K(o=0.51,f=-2.3!) USER MOD Single : A 42 TYR OH : rot -117:sc= 0.578 USER MOD Single : A 44 ASN : amide:sc= 0.574 K(o=0.57,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 101:sc= 0.872 USER MOD Single : A 57 GLN : amide:sc= -3.91 K(o=-3.9,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0828) USER MOD Single : A 63 SER OG : rot 180:sc= 0.00701 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.258 USER MOD Single : A 80 ASN : amide:sc= 0.553 K(o=0.55,f=-0.92!) USER MOD Single : A 81 THR OG1 : rot -43:sc= 0.39 USER MOD Single : A 82 ASN : amide:sc= 0.222 K(o=0.22,f=-5.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 91 HIS : no HD1:sc= -0.588 K(o=-0.59,f=-2.5) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 130:sc= 0.0455 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.932 10.571 -7.890 1.00 0.00 N HETATM 2 CA PCA A 1 3.502 10.706 -6.492 1.00 0.00 C HETATM 3 CB PCA A 1 2.470 9.592 -6.262 1.00 0.00 C HETATM 4 CG PCA A 1 2.909 8.465 -7.202 1.00 0.00 C HETATM 5 CD PCA A 1 3.584 9.221 -8.346 1.00 0.00 C HETATM 6 OE PCA A 1 3.894 8.710 -9.419 1.00 0.00 O HETATM 7 C PCA A 1 4.707 10.627 -5.556 1.00 0.00 C HETATM 8 O PCA A 1 4.836 9.696 -4.762 1.00 0.00 O HETATM 0 H2 PCA A 1 3.103 10.626 -8.515 1.00 0.00 H new HETATM 0 HA PCA A 1 3.046 11.673 -6.281 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.465 9.263 -5.223 1.00 0.00 H new HETATM 0 HB3 PCA A 1 1.460 9.932 -6.493 1.00 0.00 H new HETATM 0 HG2 PCA A 1 3.596 7.775 -6.713 1.00 0.00 H new HETATM 0 HG3 PCA A 1 2.061 7.876 -7.551 1.00 0.00 H new ATOM 15 N SER A 2 5.594 11.622 -5.676 1.00 0.00 N ATOM 16 CA SER A 2 6.806 11.765 -4.887 1.00 0.00 C ATOM 17 C SER A 2 6.972 13.221 -4.444 1.00 0.00 C ATOM 18 O SER A 2 6.088 14.048 -4.671 1.00 0.00 O ATOM 19 CB SER A 2 7.986 11.306 -5.747 1.00 0.00 C ATOM 20 OG SER A 2 8.216 12.208 -6.812 1.00 0.00 O ATOM 0 H SER A 2 5.475 12.375 -6.354 1.00 0.00 H new ATOM 0 HA SER A 2 6.756 11.154 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.882 11.229 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.786 10.311 -6.145 1.00 0.00 H new ATOM 0 HG SER A 2 8.975 11.896 -7.347 1.00 0.00 H new ATOM 26 N ALA A 3 8.107 13.530 -3.806 1.00 0.00 N ATOM 27 CA ALA A 3 8.433 14.871 -3.340 1.00 0.00 C ATOM 28 C ALA A 3 8.610 15.797 -4.542 1.00 0.00 C ATOM 29 O ALA A 3 8.976 15.335 -5.623 1.00 0.00 O ATOM 30 CB ALA A 3 9.714 14.820 -2.502 1.00 0.00 C ATOM 0 H ALA A 3 8.831 12.842 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 3 7.625 15.257 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.960 15.823 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.562 14.164 -1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.533 14.437 -3.112 1.00 0.00 H new ATOM 36 N THR A 4 8.344 17.097 -4.358 1.00 0.00 N ATOM 37 CA THR A 4 8.464 18.070 -5.432 1.00 0.00 C ATOM 38 C THR A 4 8.919 19.432 -4.912 1.00 0.00 C ATOM 39 O THR A 4 8.449 19.898 -3.875 1.00 0.00 O ATOM 40 CB THR A 4 7.146 18.163 -6.224 1.00 0.00 C ATOM 41 OG1 THR A 4 7.380 18.832 -7.443 1.00 0.00 O ATOM 42 CG2 THR A 4 6.041 18.926 -5.489 1.00 0.00 C ATOM 0 H THR A 4 8.043 17.493 -3.467 1.00 0.00 H new ATOM 0 HA THR A 4 9.240 17.727 -6.117 1.00 0.00 H new ATOM 0 HB THR A 4 6.809 17.137 -6.370 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.735 18.198 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.143 18.951 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.819 18.426 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.373 19.945 -5.290 1.00 0.00 H new ATOM 50 N THR A 5 9.851 20.052 -5.646 1.00 0.00 N ATOM 51 CA THR A 5 10.401 21.363 -5.364 1.00 0.00 C ATOM 52 C THR A 5 9.876 22.290 -6.442 1.00 0.00 C ATOM 53 O THR A 5 10.231 22.162 -7.615 1.00 0.00 O ATOM 54 CB THR A 5 11.936 21.368 -5.328 1.00 0.00 C ATOM 55 OG1 THR A 5 12.493 20.317 -6.088 1.00 0.00 O ATOM 56 CG2 THR A 5 12.380 21.274 -3.875 1.00 0.00 C ATOM 0 H THR A 5 10.252 19.629 -6.483 1.00 0.00 H new ATOM 0 HA THR A 5 10.093 21.689 -4.371 1.00 0.00 H new ATOM 0 HB THR A 5 12.295 22.294 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.471 20.360 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.469 21.276 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.990 22.127 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.999 20.351 -3.437 1.00 0.00 H new ATOM 64 N CYS A 6 9.035 23.227 -6.010 1.00 0.00 N ATOM 65 CA CYS A 6 8.405 24.208 -6.869 1.00 0.00 C ATOM 66 C CYS A 6 9.225 25.487 -6.743 1.00 0.00 C ATOM 67 O CYS A 6 8.822 26.443 -6.080 1.00 0.00 O ATOM 68 CB CYS A 6 6.934 24.368 -6.470 1.00 0.00 C ATOM 69 SG CYS A 6 5.814 23.021 -6.963 1.00 0.00 S ATOM 0 H CYS A 6 8.771 23.321 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 6 8.390 23.910 -7.917 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.883 24.476 -5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.562 25.297 -6.901 1.00 0.00 H new ATOM 74 N GLY A 7 10.396 25.468 -7.393 1.00 0.00 N ATOM 75 CA GLY A 7 11.351 26.558 -7.401 1.00 0.00 C ATOM 76 C GLY A 7 12.214 26.461 -6.152 1.00 0.00 C ATOM 77 O GLY A 7 13.312 25.907 -6.193 1.00 0.00 O ATOM 0 H GLY A 7 10.704 24.665 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.973 26.508 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.831 27.516 -7.427 1.00 0.00 H new ATOM 81 N SER A 8 11.697 27.013 -5.048 1.00 0.00 N ATOM 82 CA SER A 8 12.330 27.026 -3.737 1.00 0.00 C ATOM 83 C SER A 8 11.418 26.391 -2.687 1.00 0.00 C ATOM 84 O SER A 8 11.922 25.821 -1.720 1.00 0.00 O ATOM 85 CB SER A 8 12.679 28.467 -3.350 1.00 0.00 C ATOM 86 OG SER A 8 13.609 29.007 -4.263 1.00 0.00 O ATOM 0 H SER A 8 10.790 27.480 -5.051 1.00 0.00 H new ATOM 0 HA SER A 8 13.246 26.437 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.775 29.076 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.093 28.490 -2.342 1.00 0.00 H new ATOM 0 HG SER A 8 13.823 29.928 -4.006 1.00 0.00 H new ATOM 92 N THR A 9 10.091 26.478 -2.869 1.00 0.00 N ATOM 93 CA THR A 9 9.116 25.931 -1.938 1.00 0.00 C ATOM 94 C THR A 9 9.137 24.402 -2.040 1.00 0.00 C ATOM 95 O THR A 9 8.519 23.816 -2.930 1.00 0.00 O ATOM 96 CB THR A 9 7.729 26.541 -2.206 1.00 0.00 C ATOM 97 OG1 THR A 9 7.847 27.917 -2.510 1.00 0.00 O ATOM 98 CG2 THR A 9 6.831 26.410 -0.972 1.00 0.00 C ATOM 0 H THR A 9 9.670 26.936 -3.677 1.00 0.00 H new ATOM 0 HA THR A 9 9.370 26.194 -0.911 1.00 0.00 H new ATOM 0 HB THR A 9 7.291 26.002 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.958 28.292 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.855 26.848 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.709 25.356 -0.721 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.289 26.933 -0.132 1.00 0.00 H new ATOM 106 N ASN A 10 9.863 23.770 -1.109 1.00 0.00 N ATOM 107 CA ASN A 10 10.044 22.329 -1.024 1.00 0.00 C ATOM 108 C ASN A 10 8.827 21.673 -0.381 1.00 0.00 C ATOM 109 O ASN A 10 8.242 22.222 0.552 1.00 0.00 O ATOM 110 CB ASN A 10 11.317 22.046 -0.212 1.00 0.00 C ATOM 111 CG ASN A 10 11.656 20.557 -0.114 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.001 19.814 0.614 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.688 20.115 -0.838 1.00 0.00 N ATOM 0 H ASN A 10 10.355 24.273 -0.371 1.00 0.00 H new ATOM 0 HA ASN A 10 10.149 21.907 -2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.155 22.573 -0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.196 22.450 0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.955 19.131 -0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.209 20.761 -1.431 1.00 0.00 H new ATOM 120 N TYR A 11 8.457 20.496 -0.902 1.00 0.00 N ATOM 121 CA TYR A 11 7.342 19.701 -0.419 1.00 0.00 C ATOM 122 C TYR A 11 7.748 18.233 -0.365 1.00 0.00 C ATOM 123 O TYR A 11 8.262 17.690 -1.343 1.00 0.00 O ATOM 124 CB TYR A 11 6.130 19.856 -1.346 1.00 0.00 C ATOM 125 CG TYR A 11 5.638 21.273 -1.546 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.222 22.032 -0.438 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.587 21.832 -2.837 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.755 23.342 -0.624 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.115 23.142 -3.021 1.00 0.00 C ATOM 130 CZ TYR A 11 4.688 23.893 -1.913 1.00 0.00 C ATOM 131 OH TYR A 11 4.216 25.160 -2.077 1.00 0.00 O ATOM 0 H TYR A 11 8.943 20.068 -1.690 1.00 0.00 H new ATOM 0 HA TYR A 11 7.072 20.049 0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.384 19.438 -2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.310 19.259 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.262 21.608 0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.912 21.252 -3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.446 23.929 0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.080 23.571 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 11 3.971 25.533 -1.205 1.00 0.00 H new ATOM 141 N SER A 12 7.514 17.605 0.790 1.00 0.00 N ATOM 142 CA SER A 12 7.789 16.200 1.043 1.00 0.00 C ATOM 143 C SER A 12 6.828 15.364 0.226 1.00 0.00 C ATOM 144 O SER A 12 5.750 15.833 -0.133 1.00 0.00 O ATOM 145 CB SER A 12 7.599 15.914 2.536 1.00 0.00 C ATOM 146 OG SER A 12 8.528 16.653 3.299 1.00 0.00 O ATOM 0 H SER A 12 7.114 18.082 1.598 1.00 0.00 H new ATOM 0 HA SER A 12 8.813 15.955 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.584 16.173 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.726 14.849 2.728 1.00 0.00 H new ATOM 0 HG SER A 12 8.395 16.462 4.251 1.00 0.00 H new ATOM 152 N ALA A 13 7.227 14.125 -0.081 1.00 0.00 N ATOM 153 CA ALA A 13 6.362 13.207 -0.800 1.00 0.00 C ATOM 154 C ALA A 13 5.091 13.039 0.041 1.00 0.00 C ATOM 155 O ALA A 13 4.038 12.688 -0.484 1.00 0.00 O ATOM 156 CB ALA A 13 7.074 11.866 -0.990 1.00 0.00 C ATOM 0 H ALA A 13 8.142 13.743 0.160 1.00 0.00 H new ATOM 0 HA ALA A 13 6.112 13.588 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.421 11.181 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.991 12.018 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.318 11.443 -0.016 1.00 0.00 H new ATOM 162 N SER A 14 5.209 13.316 1.352 1.00 0.00 N ATOM 163 CA SER A 14 4.116 13.231 2.301 1.00 0.00 C ATOM 164 C SER A 14 3.124 14.371 2.049 1.00 0.00 C ATOM 165 O SER A 14 1.923 14.162 2.159 1.00 0.00 O ATOM 166 CB SER A 14 4.677 13.297 3.723 1.00 0.00 C ATOM 167 OG SER A 14 3.640 13.125 4.665 1.00 0.00 O ATOM 0 H SER A 14 6.089 13.610 1.776 1.00 0.00 H new ATOM 0 HA SER A 14 3.587 12.286 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.434 12.524 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.169 14.257 3.884 1.00 0.00 H new ATOM 0 HG SER A 14 4.011 13.168 5.571 1.00 0.00 H new ATOM 173 N GLN A 15 3.623 15.565 1.701 1.00 0.00 N ATOM 174 CA GLN A 15 2.831 16.763 1.446 1.00 0.00 C ATOM 175 C GLN A 15 2.110 16.742 0.106 1.00 0.00 C ATOM 176 O GLN A 15 0.938 17.102 0.046 1.00 0.00 O ATOM 177 CB GLN A 15 3.717 18.003 1.601 1.00 0.00 C ATOM 178 CG GLN A 15 4.017 18.213 3.088 1.00 0.00 C ATOM 179 CD GLN A 15 2.872 18.881 3.846 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.033 19.561 3.259 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.843 18.685 5.167 1.00 0.00 N ATOM 0 H GLN A 15 4.624 15.722 1.587 1.00 0.00 H new ATOM 0 HA GLN A 15 2.035 16.795 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.645 17.876 1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.215 18.879 1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.234 17.249 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.915 18.823 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.560 18.113 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.104 19.107 5.729 1.00 0.00 H new ATOM 190 N VAL A 16 2.803 16.337 -0.962 1.00 0.00 N ATOM 191 CA VAL A 16 2.222 16.250 -2.295 1.00 0.00 C ATOM 192 C VAL A 16 1.057 15.257 -2.249 1.00 0.00 C ATOM 193 O VAL A 16 -0.034 15.558 -2.734 1.00 0.00 O ATOM 194 CB VAL A 16 3.262 15.823 -3.344 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.680 15.986 -4.749 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.526 16.686 -3.270 1.00 0.00 C ATOM 0 H VAL A 16 3.784 16.061 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 16 1.864 17.235 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 16 3.517 14.783 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.422 15.682 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.791 15.363 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.412 17.030 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.238 16.355 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.265 17.729 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.975 16.589 -2.282 1.00 0.00 H new ATOM 206 N ARG A 17 1.297 14.081 -1.649 1.00 0.00 N ATOM 207 CA ARG A 17 0.311 13.017 -1.531 1.00 0.00 C ATOM 208 C ARG A 17 -0.816 13.380 -0.580 1.00 0.00 C ATOM 209 O ARG A 17 -1.968 13.110 -0.890 1.00 0.00 O ATOM 210 CB ARG A 17 0.990 11.687 -1.179 1.00 0.00 C ATOM 211 CG ARG A 17 1.027 11.179 0.274 1.00 0.00 C ATOM 212 CD ARG A 17 -0.305 10.706 0.885 1.00 0.00 C ATOM 213 NE ARG A 17 -1.287 10.271 -0.116 1.00 0.00 N ATOM 214 CZ ARG A 17 -1.317 9.077 -0.732 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.387 8.144 -0.482 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.293 8.822 -1.616 1.00 0.00 N ATOM 0 H ARG A 17 2.197 13.848 -1.229 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.164 12.887 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.507 10.913 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.023 11.755 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.735 10.352 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.423 11.977 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.109 9.882 1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.733 11.517 1.474 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.016 10.939 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.360 8.335 0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.427 7.244 -0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.000 9.530 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.328 7.920 -2.091 1.00 0.00 H new ATOM 230 N ALA A 18 -0.486 13.974 0.570 1.00 0.00 N ATOM 231 CA ALA A 18 -1.500 14.368 1.552 1.00 0.00 C ATOM 232 C ALA A 18 -2.451 15.406 0.959 1.00 0.00 C ATOM 233 O ALA A 18 -3.672 15.278 1.075 1.00 0.00 O ATOM 234 CB ALA A 18 -0.861 14.895 2.838 1.00 0.00 C ATOM 0 H ALA A 18 0.472 14.192 0.843 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.074 13.478 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.643 15.178 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.238 14.118 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.247 15.766 2.609 1.00 0.00 H new ATOM 240 N ALA A 19 -1.876 16.426 0.313 1.00 0.00 N ATOM 241 CA ALA A 19 -2.619 17.509 -0.307 1.00 0.00 C ATOM 242 C ALA A 19 -3.551 16.944 -1.373 1.00 0.00 C ATOM 243 O ALA A 19 -4.711 17.344 -1.449 1.00 0.00 O ATOM 244 CB ALA A 19 -1.650 18.532 -0.906 1.00 0.00 C ATOM 0 H ALA A 19 -0.865 16.516 0.209 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.223 18.017 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.215 19.341 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.016 18.937 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.028 18.047 -1.658 1.00 0.00 H new ATOM 250 N ALA A 20 -3.051 16.005 -2.187 1.00 0.00 N ATOM 251 CA ALA A 20 -3.844 15.394 -3.240 1.00 0.00 C ATOM 252 C ALA A 20 -4.861 14.386 -2.726 1.00 0.00 C ATOM 253 O ALA A 20 -5.888 14.181 -3.368 1.00 0.00 O ATOM 254 CB ALA A 20 -2.943 14.811 -4.330 1.00 0.00 C ATOM 0 H ALA A 20 -2.094 15.656 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.440 16.190 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.559 14.359 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.336 15.606 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.291 14.052 -3.896 1.00 0.00 H new ATOM 260 N ASN A 21 -4.585 13.749 -1.586 1.00 0.00 N ATOM 261 CA ASN A 21 -5.500 12.806 -0.972 1.00 0.00 C ATOM 262 C ASN A 21 -6.675 13.611 -0.404 1.00 0.00 C ATOM 263 O ASN A 21 -7.769 13.069 -0.246 1.00 0.00 O ATOM 264 CB ASN A 21 -4.766 12.007 0.112 1.00 0.00 C ATOM 265 CG ASN A 21 -5.662 10.959 0.766 1.00 0.00 C ATOM 266 OD1 ASN A 21 -5.757 9.834 0.280 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.314 11.323 1.874 1.00 0.00 N ATOM 0 H ASN A 21 -3.716 13.878 -1.067 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.879 12.083 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.897 11.516 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.394 12.691 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.920 10.656 2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.206 12.268 2.242 1.00 0.00 H new ATOM 274 N ALA A 22 -6.455 14.907 -0.121 1.00 0.00 N ATOM 275 CA ALA A 22 -7.487 15.766 0.440 1.00 0.00 C ATOM 276 C ALA A 22 -8.337 16.187 -0.747 1.00 0.00 C ATOM 277 O ALA A 22 -9.541 15.954 -0.759 1.00 0.00 O ATOM 278 CB ALA A 22 -6.872 16.953 1.175 1.00 0.00 C ATOM 0 H ALA A 22 -5.562 15.375 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.092 15.257 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.665 17.578 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.240 16.591 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.270 17.539 0.480 1.00 0.00 H new ATOM 284 N ALA A 23 -7.679 16.820 -1.727 1.00 0.00 N ATOM 285 CA ALA A 23 -8.259 17.256 -2.991 1.00 0.00 C ATOM 286 C ALA A 23 -9.153 16.163 -3.592 1.00 0.00 C ATOM 287 O ALA A 23 -10.248 16.459 -4.065 1.00 0.00 O ATOM 288 CB ALA A 23 -7.125 17.564 -3.968 1.00 0.00 C ATOM 0 H ALA A 23 -6.688 17.049 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.869 18.142 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.544 17.892 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.495 18.353 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.526 16.667 -4.125 1.00 0.00 H new ATOM 294 N CYS A 24 -8.679 14.906 -3.582 1.00 0.00 N ATOM 295 CA CYS A 24 -9.408 13.753 -4.092 1.00 0.00 C ATOM 296 C CYS A 24 -10.681 13.546 -3.282 1.00 0.00 C ATOM 297 O CYS A 24 -11.753 13.453 -3.873 1.00 0.00 O ATOM 298 CB CYS A 24 -8.537 12.487 -4.076 1.00 0.00 C ATOM 299 SG CYS A 24 -9.477 10.928 -4.114 1.00 0.00 S ATOM 0 H CYS A 24 -7.760 14.668 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.677 13.948 -5.130 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.864 12.513 -4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.914 12.500 -3.181 1.00 0.00 H new ATOM 304 N GLN A 25 -10.568 13.473 -1.948 1.00 0.00 N ATOM 305 CA GLN A 25 -11.704 13.292 -1.055 1.00 0.00 C ATOM 306 C GLN A 25 -12.715 14.445 -1.161 1.00 0.00 C ATOM 307 O GLN A 25 -13.885 14.274 -0.825 1.00 0.00 O ATOM 308 CB GLN A 25 -11.182 13.128 0.380 1.00 0.00 C ATOM 309 CG GLN A 25 -12.153 12.357 1.284 1.00 0.00 C ATOM 310 CD GLN A 25 -12.239 10.866 0.943 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.492 10.361 0.107 1.00 0.00 O ATOM 312 NE2 GLN A 25 -13.153 10.152 1.603 1.00 0.00 N ATOM 0 H GLN A 25 -9.674 13.539 -1.462 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.245 12.393 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.225 12.607 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.998 14.113 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.839 12.468 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.146 12.800 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.756 10.605 2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.249 9.153 1.421 1.00 0.00 H new ATOM 321 N TYR A 26 -12.263 15.610 -1.640 1.00 0.00 N ATOM 322 CA TYR A 26 -13.054 16.819 -1.834 1.00 0.00 C ATOM 323 C TYR A 26 -13.468 16.967 -3.303 1.00 0.00 C ATOM 324 O TYR A 26 -14.009 17.996 -3.687 1.00 0.00 O ATOM 325 CB TYR A 26 -12.181 18.027 -1.500 1.00 0.00 C ATOM 326 CG TYR A 26 -11.595 18.176 -0.104 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.902 17.294 0.953 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.705 19.239 0.125 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.315 17.475 2.217 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.116 19.422 1.387 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.416 18.535 2.434 1.00 0.00 C ATOM 332 OH TYR A 26 -9.836 18.706 3.657 1.00 0.00 O ATOM 0 H TYR A 26 -11.289 15.735 -1.914 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.938 16.758 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.349 18.031 -2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.772 18.920 -1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.590 16.477 0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.471 19.923 -0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.555 16.798 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.434 20.243 1.552 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.242 19.485 3.631 1.00 0.00 H new ATOM 342 N TYR A 27 -13.210 15.962 -4.139 1.00 0.00 N ATOM 343 CA TYR A 27 -13.555 15.967 -5.548 1.00 0.00 C ATOM 344 C TYR A 27 -13.785 14.528 -5.995 1.00 0.00 C ATOM 345 O TYR A 27 -13.064 13.967 -6.817 1.00 0.00 O ATOM 346 CB TYR A 27 -12.518 16.730 -6.384 1.00 0.00 C ATOM 347 CG TYR A 27 -13.151 17.356 -7.610 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.578 16.543 -8.674 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.325 18.751 -7.680 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.185 17.125 -9.801 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.925 19.334 -8.809 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.365 18.519 -9.866 1.00 0.00 C ATOM 353 OH TYR A 27 -14.956 19.077 -10.961 1.00 0.00 O ATOM 0 H TYR A 27 -12.744 15.105 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.483 16.515 -5.710 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.056 17.506 -5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.723 16.050 -6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.440 15.473 -8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.996 19.376 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.514 16.501 -10.619 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.048 20.406 -8.864 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.005 20.049 -10.847 1.00 0.00 H new ATOM 363 N GLN A 28 -14.819 13.943 -5.393 1.00 0.00 N ATOM 364 CA GLN A 28 -15.288 12.589 -5.652 1.00 0.00 C ATOM 365 C GLN A 28 -16.511 12.568 -6.567 1.00 0.00 C ATOM 366 O GLN A 28 -16.606 11.696 -7.431 1.00 0.00 O ATOM 367 CB GLN A 28 -15.600 11.909 -4.318 1.00 0.00 C ATOM 368 CG GLN A 28 -14.343 11.974 -3.452 1.00 0.00 C ATOM 369 CD GLN A 28 -14.520 11.215 -2.139 1.00 0.00 C ATOM 370 OE1 GLN A 28 -15.259 11.658 -1.261 1.00 0.00 O ATOM 371 NE2 GLN A 28 -13.838 10.076 -1.998 1.00 0.00 N ATOM 0 H GLN A 28 -15.373 14.422 -4.683 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.500 12.045 -6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.432 12.408 -3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.899 10.873 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.500 11.556 -4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.101 13.015 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.236 9.745 -2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.919 9.537 -1.136 1.00 0.00 H new ATOM 380 N ASN A 29 -17.442 13.513 -6.374 1.00 0.00 N ATOM 381 CA ASN A 29 -18.672 13.613 -7.151 1.00 0.00 C ATOM 382 C ASN A 29 -18.993 15.072 -7.488 1.00 0.00 C ATOM 383 O ASN A 29 -20.124 15.520 -7.307 1.00 0.00 O ATOM 384 CB ASN A 29 -19.801 12.887 -6.400 1.00 0.00 C ATOM 385 CG ASN A 29 -19.960 13.356 -4.952 1.00 0.00 C ATOM 386 OD1 ASN A 29 -19.273 12.861 -4.060 1.00 0.00 O ATOM 387 ND2 ASN A 29 -20.870 14.302 -4.708 1.00 0.00 N ATOM 0 H ASN A 29 -17.354 14.237 -5.661 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.552 13.117 -8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.740 13.042 -6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.604 11.815 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.014 14.638 -3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.421 14.689 -5.474 1.00 0.00 H new ATOM 394 N ASP A 30 -17.987 15.801 -7.991 1.00 0.00 N ATOM 395 CA ASP A 30 -18.049 17.201 -8.408 1.00 0.00 C ATOM 396 C ASP A 30 -18.747 18.134 -7.411 1.00 0.00 C ATOM 397 O ASP A 30 -19.519 19.013 -7.789 1.00 0.00 O ATOM 398 CB ASP A 30 -18.554 17.324 -9.851 1.00 0.00 C ATOM 399 CG ASP A 30 -19.966 16.780 -10.062 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.923 17.541 -9.801 1.00 0.00 O ATOM 401 OD2 ASP A 30 -20.067 15.607 -10.482 1.00 0.00 O ATOM 0 H ASP A 30 -17.057 15.403 -8.124 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.024 17.572 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.532 18.373 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.868 16.793 -10.512 1.00 0.00 H new ATOM 406 N ASP A 31 -18.449 17.923 -6.129 1.00 0.00 N ATOM 407 CA ASP A 31 -18.938 18.685 -4.989 1.00 0.00 C ATOM 408 C ASP A 31 -17.709 18.819 -4.103 1.00 0.00 C ATOM 409 O ASP A 31 -17.121 17.804 -3.726 1.00 0.00 O ATOM 410 CB ASP A 31 -20.096 17.980 -4.278 1.00 0.00 C ATOM 411 CG ASP A 31 -21.392 18.056 -5.088 1.00 0.00 C ATOM 412 OD1 ASP A 31 -21.893 19.190 -5.248 1.00 0.00 O ATOM 413 OD2 ASP A 31 -21.863 16.985 -5.526 1.00 0.00 O ATOM 0 H ASP A 31 -17.822 17.170 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.356 19.651 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.835 16.936 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -20.252 18.434 -3.299 1.00 0.00 H new ATOM 418 N THR A 32 -17.335 20.061 -3.770 1.00 0.00 N ATOM 419 CA THR A 32 -16.146 20.342 -2.987 1.00 0.00 C ATOM 420 C THR A 32 -16.436 20.836 -1.572 1.00 0.00 C ATOM 421 O THR A 32 -16.449 20.039 -0.637 1.00 0.00 O ATOM 422 CB THR A 32 -15.177 21.208 -3.830 1.00 0.00 C ATOM 423 OG1 THR A 32 -15.522 22.577 -3.881 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.118 20.716 -5.286 1.00 0.00 C ATOM 0 H THR A 32 -17.856 20.895 -4.041 1.00 0.00 H new ATOM 0 HA THR A 32 -15.626 19.408 -2.774 1.00 0.00 H new ATOM 0 HB THR A 32 -14.217 21.104 -3.324 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.867 23.059 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.430 21.342 -5.854 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.770 19.683 -5.307 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.112 20.773 -5.730 1.00 0.00 H new ATOM 432 N ALA A 33 -16.675 22.142 -1.443 1.00 0.00 N ATOM 433 CA ALA A 33 -16.941 22.894 -0.231 1.00 0.00 C ATOM 434 C ALA A 33 -16.710 24.346 -0.634 1.00 0.00 C ATOM 435 O ALA A 33 -15.572 24.815 -0.666 1.00 0.00 O ATOM 436 CB ALA A 33 -15.997 22.498 0.910 1.00 0.00 C ATOM 0 H ALA A 33 -16.687 22.749 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.947 22.708 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.232 23.086 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.121 21.438 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.966 22.688 0.612 1.00 0.00 H new ATOM 442 N GLY A 34 -17.802 25.044 -0.952 1.00 0.00 N ATOM 443 CA GLY A 34 -17.780 26.429 -1.393 1.00 0.00 C ATOM 444 C GLY A 34 -17.666 26.501 -2.920 1.00 0.00 C ATOM 445 O GLY A 34 -18.426 27.237 -3.548 1.00 0.00 O ATOM 0 H GLY A 34 -18.742 24.650 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.687 26.936 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.940 26.950 -0.934 1.00 0.00 H new ATOM 449 N SER A 35 -16.724 25.744 -3.511 1.00 0.00 N ATOM 450 CA SER A 35 -16.469 25.681 -4.950 1.00 0.00 C ATOM 451 C SER A 35 -16.109 27.069 -5.486 1.00 0.00 C ATOM 452 O SER A 35 -16.893 27.689 -6.205 1.00 0.00 O ATOM 453 CB SER A 35 -17.644 25.031 -5.696 1.00 0.00 C ATOM 454 OG SER A 35 -17.867 23.723 -5.215 1.00 0.00 O ATOM 0 H SER A 35 -16.101 25.140 -2.975 1.00 0.00 H new ATOM 0 HA SER A 35 -15.608 25.037 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.544 25.632 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.433 25.002 -6.765 1.00 0.00 H new ATOM 0 HG SER A 35 -17.053 23.391 -4.782 1.00 0.00 H new ATOM 460 N SER A 36 -14.903 27.529 -5.133 1.00 0.00 N ATOM 461 CA SER A 36 -14.323 28.821 -5.475 1.00 0.00 C ATOM 462 C SER A 36 -12.936 28.879 -4.834 1.00 0.00 C ATOM 463 O SER A 36 -11.981 29.332 -5.461 1.00 0.00 O ATOM 464 CB SER A 36 -15.197 29.972 -4.956 1.00 0.00 C ATOM 465 OG SER A 36 -14.573 31.208 -5.227 1.00 0.00 O ATOM 0 H SER A 36 -14.270 26.967 -4.564 1.00 0.00 H new ATOM 0 HA SER A 36 -14.257 28.929 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.178 29.938 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.358 29.863 -3.883 1.00 0.00 H new ATOM 0 HG SER A 36 -15.136 31.938 -4.895 1.00 0.00 H new ATOM 471 N THR A 37 -12.848 28.406 -3.581 1.00 0.00 N ATOM 472 CA THR A 37 -11.640 28.342 -2.776 1.00 0.00 C ATOM 473 C THR A 37 -10.752 27.140 -3.135 1.00 0.00 C ATOM 474 O THR A 37 -9.821 26.851 -2.386 1.00 0.00 O ATOM 475 CB THR A 37 -12.042 28.342 -1.288 1.00 0.00 C ATOM 476 OG1 THR A 37 -10.907 28.504 -0.464 1.00 0.00 O ATOM 477 CG2 THR A 37 -12.783 27.065 -0.870 1.00 0.00 C ATOM 0 H THR A 37 -13.663 28.042 -3.087 1.00 0.00 H new ATOM 0 HA THR A 37 -11.029 29.219 -2.987 1.00 0.00 H new ATOM 0 HB THR A 37 -12.724 29.183 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.156 27.997 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.040 27.123 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.694 26.963 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.142 26.200 -1.040 1.00 0.00 H new ATOM 485 N TYR A 38 -11.018 26.450 -4.265 1.00 0.00 N ATOM 486 CA TYR A 38 -10.263 25.298 -4.763 1.00 0.00 C ATOM 487 C TYR A 38 -10.559 24.084 -3.859 1.00 0.00 C ATOM 488 O TYR A 38 -10.573 24.219 -2.636 1.00 0.00 O ATOM 489 CB TYR A 38 -8.763 25.615 -4.919 1.00 0.00 C ATOM 490 CG TYR A 38 -8.416 26.676 -5.967 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.973 27.971 -5.914 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.530 26.366 -7.018 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.665 28.928 -6.890 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.213 27.327 -7.991 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.786 28.609 -7.937 1.00 0.00 C ATOM 496 OH TYR A 38 -7.485 29.538 -8.890 1.00 0.00 O ATOM 0 H TYR A 38 -11.798 26.697 -4.874 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.588 25.047 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.377 25.944 -3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.240 24.693 -5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.646 28.228 -5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.091 25.381 -7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.105 29.913 -6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.525 27.080 -8.786 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.534 30.435 -8.499 1.00 0.00 H new ATOM 506 N PRO A 39 -10.787 22.884 -4.414 1.00 0.00 N ATOM 507 CA PRO A 39 -10.740 22.564 -5.826 1.00 0.00 C ATOM 508 C PRO A 39 -11.960 23.042 -6.612 1.00 0.00 C ATOM 509 O PRO A 39 -13.000 23.375 -6.047 1.00 0.00 O ATOM 510 CB PRO A 39 -10.607 21.037 -5.883 1.00 0.00 C ATOM 511 CG PRO A 39 -11.339 20.571 -4.626 1.00 0.00 C ATOM 512 CD PRO A 39 -11.093 21.701 -3.627 1.00 0.00 C ATOM 0 HA PRO A 39 -9.906 23.081 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.059 20.628 -6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.563 20.724 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.403 20.425 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.946 19.622 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.971 21.866 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.268 21.455 -2.958 1.00 0.00 H new ATOM 520 N HIS A 40 -11.781 23.071 -7.937 1.00 0.00 N ATOM 521 CA HIS A 40 -12.757 23.453 -8.945 1.00 0.00 C ATOM 522 C HIS A 40 -12.206 23.003 -10.299 1.00 0.00 C ATOM 523 O HIS A 40 -10.989 22.937 -10.477 1.00 0.00 O ATOM 524 CB HIS A 40 -13.080 24.952 -8.908 1.00 0.00 C ATOM 525 CG HIS A 40 -11.979 25.857 -9.394 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.023 26.472 -10.636 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.793 26.263 -8.832 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.910 27.213 -10.753 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.115 27.127 -9.685 1.00 0.00 N ATOM 0 H HIS A 40 -10.888 22.809 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.711 22.964 -8.750 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.969 25.131 -9.513 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.330 25.228 -7.884 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.436 25.954 -7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.682 27.815 -11.620 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.218 27.588 -9.530 1.00 0.00 H new ATOM 537 N THR A 41 -13.101 22.710 -11.251 1.00 0.00 N ATOM 538 CA THR A 41 -12.758 22.230 -12.586 1.00 0.00 C ATOM 539 C THR A 41 -11.729 23.080 -13.346 1.00 0.00 C ATOM 540 O THR A 41 -11.571 24.273 -13.090 1.00 0.00 O ATOM 541 CB THR A 41 -14.034 21.966 -13.394 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.745 21.116 -14.485 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.640 23.268 -13.906 1.00 0.00 C ATOM 0 H THR A 41 -14.106 22.804 -11.106 1.00 0.00 H new ATOM 0 HA THR A 41 -12.230 21.287 -12.444 1.00 0.00 H new ATOM 0 HB THR A 41 -14.758 21.485 -12.736 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.006 21.556 -15.321 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.543 23.050 -14.475 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.890 23.910 -13.061 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.921 23.776 -14.548 1.00 0.00 H new ATOM 551 N TYR A 42 -11.045 22.423 -14.291 1.00 0.00 N ATOM 552 CA TYR A 42 -10.006 22.955 -15.159 1.00 0.00 C ATOM 553 C TYR A 42 -10.259 22.379 -16.553 1.00 0.00 C ATOM 554 O TYR A 42 -9.888 21.237 -16.821 1.00 0.00 O ATOM 555 CB TYR A 42 -8.645 22.528 -14.587 1.00 0.00 C ATOM 556 CG TYR A 42 -7.422 22.930 -15.394 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.935 24.248 -15.326 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.761 21.984 -16.200 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.793 24.617 -16.059 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.620 22.353 -16.934 1.00 0.00 C ATOM 561 CZ TYR A 42 -5.127 23.666 -16.854 1.00 0.00 C ATOM 562 OH TYR A 42 -4.011 24.016 -17.558 1.00 0.00 O ATOM 0 H TYR A 42 -11.222 21.436 -14.476 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.012 24.043 -15.220 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.548 22.947 -13.586 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.643 21.443 -14.480 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.439 24.978 -14.710 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.132 20.971 -16.255 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.427 25.632 -16.012 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.122 21.627 -17.560 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.185 23.917 -18.517 1.00 0.00 H new ATOM 572 N ASN A 43 -10.899 23.165 -17.433 1.00 0.00 N ATOM 573 CA ASN A 43 -11.240 22.766 -18.797 1.00 0.00 C ATOM 574 C ASN A 43 -10.822 23.823 -19.817 1.00 0.00 C ATOM 575 O ASN A 43 -10.735 25.007 -19.496 1.00 0.00 O ATOM 576 CB ASN A 43 -12.756 22.547 -18.914 1.00 0.00 C ATOM 577 CG ASN A 43 -13.310 21.554 -17.896 1.00 0.00 C ATOM 578 OD1 ASN A 43 -14.246 21.878 -17.169 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.746 20.345 -17.847 1.00 0.00 N ATOM 0 H ASN A 43 -11.197 24.114 -17.206 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.701 21.843 -19.009 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.264 23.504 -18.789 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.987 22.192 -19.918 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.091 19.648 -17.187 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.970 20.118 -18.470 1.00 0.00 H new ATOM 586 N ASN A 44 -10.577 23.363 -21.051 1.00 0.00 N ATOM 587 CA ASN A 44 -10.184 24.149 -22.217 1.00 0.00 C ATOM 588 C ASN A 44 -8.937 25.016 -21.983 1.00 0.00 C ATOM 589 O ASN A 44 -8.818 26.101 -22.547 1.00 0.00 O ATOM 590 CB ASN A 44 -11.397 24.942 -22.740 1.00 0.00 C ATOM 591 CG ASN A 44 -11.405 25.065 -24.266 1.00 0.00 C ATOM 592 OD1 ASN A 44 -12.244 24.457 -24.928 1.00 0.00 O ATOM 593 ND2 ASN A 44 -10.484 25.848 -24.832 1.00 0.00 N ATOM 0 H ASN A 44 -10.654 22.370 -21.270 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.871 23.458 -22.999 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.315 24.453 -22.414 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.393 25.939 -22.299 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.461 25.957 -25.846 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.803 26.337 -24.251 1.00 0.00 H new ATOM 600 N TYR A 45 -8.010 24.540 -21.142 1.00 0.00 N ATOM 601 CA TYR A 45 -6.759 25.211 -20.821 1.00 0.00 C ATOM 602 C TYR A 45 -5.638 24.228 -21.156 1.00 0.00 C ATOM 603 O TYR A 45 -5.043 23.607 -20.276 1.00 0.00 O ATOM 604 CB TYR A 45 -6.757 25.702 -19.361 1.00 0.00 C ATOM 605 CG TYR A 45 -7.163 27.159 -19.200 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.439 27.597 -19.606 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.258 28.089 -18.650 1.00 0.00 C ATOM 608 CE1 TYR A 45 -8.806 28.946 -19.470 1.00 0.00 C ATOM 609 CE2 TYR A 45 -6.626 29.440 -18.513 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.896 29.872 -18.932 1.00 0.00 C ATOM 611 OH TYR A 45 -8.246 31.185 -18.808 1.00 0.00 O ATOM 0 H TYR A 45 -8.120 23.650 -20.655 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.615 26.118 -21.408 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.435 25.079 -18.778 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.760 25.565 -18.943 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.140 26.890 -20.025 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.278 27.763 -18.333 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.788 29.272 -19.779 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.931 30.147 -18.085 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.501 31.687 -18.417 1.00 0.00 H new ATOM 621 N GLU A 46 -5.370 24.094 -22.461 1.00 0.00 N ATOM 622 CA GLU A 46 -4.335 23.224 -23.004 1.00 0.00 C ATOM 623 C GLU A 46 -2.929 23.820 -22.868 1.00 0.00 C ATOM 624 O GLU A 46 -1.959 23.177 -23.263 1.00 0.00 O ATOM 625 CB GLU A 46 -4.671 22.856 -24.457 1.00 0.00 C ATOM 626 CG GLU A 46 -4.647 24.057 -25.412 1.00 0.00 C ATOM 627 CD GLU A 46 -4.981 23.621 -26.835 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.041 23.177 -27.530 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.172 23.733 -27.202 1.00 0.00 O ATOM 0 H GLU A 46 -5.883 24.603 -23.181 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.320 22.310 -22.410 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.960 22.108 -24.808 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.659 22.396 -24.488 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.364 24.807 -25.079 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.663 24.525 -25.391 1.00 0.00 H new ATOM 636 N GLY A 47 -2.810 25.039 -22.316 1.00 0.00 N ATOM 637 CA GLY A 47 -1.546 25.727 -22.112 1.00 0.00 C ATOM 638 C GLY A 47 -0.593 24.922 -21.229 1.00 0.00 C ATOM 639 O GLY A 47 0.595 24.837 -21.535 1.00 0.00 O ATOM 0 H GLY A 47 -3.615 25.577 -21.995 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.075 25.914 -23.077 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.732 26.698 -21.654 1.00 0.00 H new ATOM 643 N PHE A 48 -1.112 24.338 -20.139 1.00 0.00 N ATOM 644 CA PHE A 48 -0.329 23.532 -19.214 1.00 0.00 C ATOM 645 C PHE A 48 -1.173 22.352 -18.728 1.00 0.00 C ATOM 646 O PHE A 48 -1.528 22.252 -17.554 1.00 0.00 O ATOM 647 CB PHE A 48 0.230 24.426 -18.093 1.00 0.00 C ATOM 648 CG PHE A 48 1.665 24.084 -17.757 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.963 22.929 -17.011 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.703 24.921 -18.208 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.302 22.615 -16.715 1.00 0.00 C ATOM 652 CE2 PHE A 48 4.038 24.603 -17.913 1.00 0.00 C ATOM 653 CZ PHE A 48 4.337 23.452 -17.167 1.00 0.00 C ATOM 0 H PHE A 48 -2.095 24.417 -19.880 1.00 0.00 H new ATOM 0 HA PHE A 48 0.541 23.097 -19.706 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.168 25.471 -18.398 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.387 24.317 -17.201 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.167 22.286 -16.667 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.472 25.807 -18.781 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.535 21.731 -16.140 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.835 25.244 -18.260 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.364 23.209 -16.940 1.00 0.00 H new ATOM 663 N ASP A 49 -1.482 21.447 -19.664 1.00 0.00 N ATOM 664 CA ASP A 49 -2.293 20.261 -19.432 1.00 0.00 C ATOM 665 C ASP A 49 -1.473 19.061 -18.957 1.00 0.00 C ATOM 666 O ASP A 49 -0.270 19.162 -18.715 1.00 0.00 O ATOM 667 CB ASP A 49 -3.065 19.934 -20.717 1.00 0.00 C ATOM 668 CG ASP A 49 -2.145 19.453 -21.838 1.00 0.00 C ATOM 669 OD1 ASP A 49 -1.473 20.321 -22.437 1.00 0.00 O ATOM 670 OD2 ASP A 49 -2.124 18.225 -22.070 1.00 0.00 O ATOM 0 H ASP A 49 -1.162 21.528 -20.629 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.990 20.477 -18.622 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.809 19.166 -20.506 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.606 20.820 -21.049 1.00 0.00 H new ATOM 675 N PHE A 50 -2.164 17.921 -18.829 1.00 0.00 N ATOM 676 CA PHE A 50 -1.642 16.631 -18.406 1.00 0.00 C ATOM 677 C PHE A 50 -2.340 15.571 -19.262 1.00 0.00 C ATOM 678 O PHE A 50 -3.518 15.748 -19.571 1.00 0.00 O ATOM 679 CB PHE A 50 -1.960 16.411 -16.915 1.00 0.00 C ATOM 680 CG PHE A 50 -1.858 17.663 -16.061 1.00 0.00 C ATOM 681 CD1 PHE A 50 -2.968 18.523 -15.961 1.00 0.00 C ATOM 682 CD2 PHE A 50 -0.665 17.977 -15.381 1.00 0.00 C ATOM 683 CE1 PHE A 50 -2.887 19.695 -15.193 1.00 0.00 C ATOM 684 CE2 PHE A 50 -0.588 19.147 -14.604 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.696 20.008 -14.514 1.00 0.00 C ATOM 0 H PHE A 50 -3.163 17.881 -19.032 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.561 16.576 -18.531 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.968 16.007 -16.827 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.279 15.658 -16.518 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.885 18.280 -16.477 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.189 17.320 -15.456 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.738 20.356 -15.124 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.324 19.384 -14.076 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.632 20.910 -13.923 1.00 0.00 H new ATOM 695 N PRO A 51 -1.662 14.483 -19.666 1.00 0.00 N ATOM 696 CA PRO A 51 -2.268 13.426 -20.466 1.00 0.00 C ATOM 697 C PRO A 51 -3.350 12.699 -19.655 1.00 0.00 C ATOM 698 O PRO A 51 -4.516 13.073 -19.748 1.00 0.00 O ATOM 699 CB PRO A 51 -1.103 12.543 -20.928 1.00 0.00 C ATOM 700 CG PRO A 51 -0.017 12.770 -19.871 1.00 0.00 C ATOM 701 CD PRO A 51 -0.262 14.202 -19.398 1.00 0.00 C ATOM 0 HA PRO A 51 -2.801 13.793 -21.343 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.395 11.494 -20.980 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.757 12.828 -21.922 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.102 12.058 -19.050 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.982 12.653 -20.292 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.041 14.304 -18.336 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.384 14.903 -19.927 1.00 0.00 H new ATOM 709 N VAL A 52 -2.963 11.675 -18.881 1.00 0.00 N ATOM 710 CA VAL A 52 -3.789 10.846 -18.003 1.00 0.00 C ATOM 711 C VAL A 52 -5.231 10.672 -18.508 1.00 0.00 C ATOM 712 O VAL A 52 -5.455 9.880 -19.421 1.00 0.00 O ATOM 713 CB VAL A 52 -3.672 11.340 -16.545 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.301 10.326 -15.578 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.203 11.543 -16.143 1.00 0.00 C ATOM 0 H VAL A 52 -1.985 11.385 -18.853 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.398 9.829 -18.024 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.200 12.292 -16.485 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.208 10.692 -14.556 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.355 10.196 -15.823 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.786 9.369 -15.669 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.153 11.891 -15.111 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.667 10.598 -16.234 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.745 12.284 -16.799 1.00 0.00 H new ATOM 725 N ASP A 53 -6.201 11.401 -17.930 1.00 0.00 N ATOM 726 CA ASP A 53 -7.609 11.336 -18.303 1.00 0.00 C ATOM 727 C ASP A 53 -8.364 12.503 -17.661 1.00 0.00 C ATOM 728 O ASP A 53 -8.467 12.570 -16.436 1.00 0.00 O ATOM 729 CB ASP A 53 -8.213 9.992 -17.866 1.00 0.00 C ATOM 730 CG ASP A 53 -9.702 9.909 -18.200 1.00 0.00 C ATOM 731 OD1 ASP A 53 -10.008 9.776 -19.405 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.507 9.986 -17.247 1.00 0.00 O ATOM 0 H ASP A 53 -6.016 12.063 -17.176 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.699 11.412 -19.387 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.683 9.177 -18.359 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.072 9.861 -16.793 1.00 0.00 H new ATOM 737 N GLY A 54 -8.899 13.413 -18.486 1.00 0.00 N ATOM 738 CA GLY A 54 -9.659 14.569 -18.029 1.00 0.00 C ATOM 739 C GLY A 54 -11.123 14.201 -17.754 1.00 0.00 C ATOM 740 O GLY A 54 -11.544 13.091 -18.079 1.00 0.00 O ATOM 0 H GLY A 54 -8.811 13.360 -19.501 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.206 14.969 -17.122 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.615 15.356 -18.781 1.00 0.00 H new ATOM 744 N PRO A 55 -11.914 15.108 -17.152 1.00 0.00 N ATOM 745 CA PRO A 55 -11.536 16.446 -16.710 1.00 0.00 C ATOM 746 C PRO A 55 -10.624 16.419 -15.480 1.00 0.00 C ATOM 747 O PRO A 55 -10.421 15.375 -14.861 1.00 0.00 O ATOM 748 CB PRO A 55 -12.862 17.147 -16.390 1.00 0.00 C ATOM 749 CG PRO A 55 -13.755 15.999 -15.936 1.00 0.00 C ATOM 750 CD PRO A 55 -13.318 14.864 -16.863 1.00 0.00 C ATOM 0 HA PRO A 55 -10.963 16.964 -17.479 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.743 17.899 -15.610 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.271 17.656 -17.263 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.597 15.751 -14.886 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.813 16.235 -16.052 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.456 13.894 -16.386 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.910 14.856 -17.778 1.00 0.00 H new ATOM 758 N TYR A 56 -10.084 17.595 -15.139 1.00 0.00 N ATOM 759 CA TYR A 56 -9.172 17.801 -14.023 1.00 0.00 C ATOM 760 C TYR A 56 -9.644 18.979 -13.179 1.00 0.00 C ATOM 761 O TYR A 56 -10.564 19.696 -13.568 1.00 0.00 O ATOM 762 CB TYR A 56 -7.766 18.101 -14.580 1.00 0.00 C ATOM 763 CG TYR A 56 -7.357 17.317 -15.815 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.654 17.833 -17.091 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.679 16.088 -15.701 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.298 17.118 -18.246 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.321 15.372 -16.859 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.635 15.886 -18.131 1.00 0.00 C ATOM 769 OH TYR A 56 -6.304 15.194 -19.259 1.00 0.00 O ATOM 0 H TYR A 56 -10.280 18.454 -15.653 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.146 16.906 -13.401 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.709 19.164 -14.814 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.037 17.908 -13.793 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.158 18.784 -17.182 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.434 15.695 -14.725 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.534 17.516 -19.222 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.805 14.427 -16.771 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.352 15.323 -19.454 1.00 0.00 H new ATOM 779 N GLN A 57 -9.007 19.162 -12.015 1.00 0.00 N ATOM 780 CA GLN A 57 -9.303 20.238 -11.082 1.00 0.00 C ATOM 781 C GLN A 57 -8.040 20.618 -10.317 1.00 0.00 C ATOM 782 O GLN A 57 -7.176 19.786 -10.043 1.00 0.00 O ATOM 783 CB GLN A 57 -10.449 19.901 -10.118 1.00 0.00 C ATOM 784 CG GLN A 57 -10.373 18.466 -9.596 1.00 0.00 C ATOM 785 CD GLN A 57 -11.001 17.458 -10.555 1.00 0.00 C ATOM 786 OE1 GLN A 57 -11.746 17.808 -11.468 1.00 0.00 O ATOM 787 NE2 GLN A 57 -10.696 16.182 -10.353 1.00 0.00 N ATOM 0 H GLN A 57 -8.257 18.549 -11.696 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.646 21.091 -11.668 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.426 20.592 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.402 20.049 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.330 18.200 -9.427 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.877 18.407 -8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.075 15.921 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.083 15.462 -10.964 1.00 0.00 H new ATOM 796 N GLU A 58 -7.983 21.904 -9.974 1.00 0.00 N ATOM 797 CA GLU A 58 -6.912 22.599 -9.283 1.00 0.00 C ATOM 798 C GLU A 58 -6.942 22.361 -7.781 1.00 0.00 C ATOM 799 O GLU A 58 -7.988 22.045 -7.229 1.00 0.00 O ATOM 800 CB GLU A 58 -7.162 24.091 -9.551 1.00 0.00 C ATOM 801 CG GLU A 58 -7.041 24.399 -11.058 1.00 0.00 C ATOM 802 CD GLU A 58 -7.871 25.604 -11.483 1.00 0.00 C ATOM 803 OE1 GLU A 58 -7.426 26.739 -11.212 1.00 0.00 O ATOM 804 OE2 GLU A 58 -8.939 25.361 -12.088 1.00 0.00 O ATOM 0 H GLU A 58 -8.754 22.535 -10.194 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.944 22.246 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.154 24.369 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.444 24.692 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.995 24.579 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.357 23.526 -11.629 1.00 0.00 H new ATOM 811 N PHE A 59 -5.785 22.495 -7.125 1.00 0.00 N ATOM 812 CA PHE A 59 -5.640 22.347 -5.686 1.00 0.00 C ATOM 813 C PHE A 59 -4.334 23.041 -5.297 1.00 0.00 C ATOM 814 O PHE A 59 -3.265 22.468 -5.486 1.00 0.00 O ATOM 815 CB PHE A 59 -5.666 20.875 -5.288 1.00 0.00 C ATOM 816 CG PHE A 59 -5.948 20.708 -3.817 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.281 20.779 -3.382 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.910 20.494 -2.890 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.584 20.614 -2.027 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.219 20.330 -1.529 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.557 20.379 -1.107 1.00 0.00 C ATOM 0 H PHE A 59 -4.908 22.714 -7.597 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.470 22.808 -5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.428 20.353 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.709 20.414 -5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.072 20.961 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.883 20.456 -3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.609 20.668 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.430 20.167 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.795 20.234 -0.064 1.00 0.00 H new ATOM 831 N PRO A 60 -4.364 24.256 -4.738 1.00 0.00 N ATOM 832 CA PRO A 60 -3.158 24.977 -4.426 1.00 0.00 C ATOM 833 C PRO A 60 -2.515 24.468 -3.137 1.00 0.00 C ATOM 834 O PRO A 60 -3.169 24.402 -2.097 1.00 0.00 O ATOM 835 CB PRO A 60 -3.592 26.430 -4.461 1.00 0.00 C ATOM 836 CG PRO A 60 -4.981 26.374 -3.830 1.00 0.00 C ATOM 837 CD PRO A 60 -5.517 25.030 -4.335 1.00 0.00 C ATOM 0 HA PRO A 60 -2.338 24.833 -5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.915 27.070 -3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.624 26.820 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.935 26.410 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.607 27.207 -4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.076 24.516 -3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.200 25.174 -5.172 1.00 0.00 H new ATOM 845 N ILE A 61 -1.225 24.107 -3.219 1.00 0.00 N ATOM 846 CA ILE A 61 -0.451 23.573 -2.120 1.00 0.00 C ATOM 847 C ILE A 61 0.034 24.633 -1.166 1.00 0.00 C ATOM 848 O ILE A 61 0.051 25.834 -1.428 1.00 0.00 O ATOM 849 CB ILE A 61 0.674 22.648 -2.624 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.784 22.075 -1.709 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.300 23.119 -3.943 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.359 20.852 -0.883 1.00 0.00 C ATOM 0 H ILE A 61 -0.689 24.186 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.126 22.955 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 61 0.031 21.773 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.640 21.802 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.118 22.859 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.085 22.424 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.533 23.156 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.727 24.113 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.197 20.517 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.524 21.122 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.054 20.048 -1.553 1.00 0.00 H new ATOM 864 N LYS A 62 0.428 24.062 -0.042 1.00 0.00 N ATOM 865 CA LYS A 62 0.934 24.744 1.142 1.00 0.00 C ATOM 866 C LYS A 62 2.053 23.937 1.794 1.00 0.00 C ATOM 867 O LYS A 62 2.024 22.706 1.792 1.00 0.00 O ATOM 868 CB LYS A 62 -0.199 24.969 2.160 1.00 0.00 C ATOM 869 CG LYS A 62 -1.268 25.989 1.739 1.00 0.00 C ATOM 870 CD LYS A 62 -0.705 27.415 1.639 1.00 0.00 C ATOM 871 CE LYS A 62 -1.804 28.457 1.391 1.00 0.00 C ATOM 872 NZ LYS A 62 -2.681 28.629 2.563 1.00 0.00 N ATOM 0 H LYS A 62 0.403 23.049 0.079 1.00 0.00 H new ATOM 0 HA LYS A 62 1.331 25.710 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.688 24.014 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.241 25.297 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.686 25.697 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.086 25.973 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.176 27.660 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.025 27.460 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.346 29.413 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.403 28.154 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.298 29.454 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.265 27.778 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.100 28.777 3.413 1.00 0.00 H new ATOM 886 N SER A 63 3.033 24.654 2.362 1.00 0.00 N ATOM 887 CA SER A 63 4.184 24.095 3.055 1.00 0.00 C ATOM 888 C SER A 63 3.788 23.823 4.510 1.00 0.00 C ATOM 889 O SER A 63 4.413 24.332 5.441 1.00 0.00 O ATOM 890 CB SER A 63 5.368 25.068 2.939 1.00 0.00 C ATOM 891 OG SER A 63 5.011 26.352 3.409 1.00 0.00 O ATOM 0 H SER A 63 3.039 25.674 2.346 1.00 0.00 H new ATOM 0 HA SER A 63 4.497 23.152 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.214 24.688 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.691 25.133 1.900 1.00 0.00 H new ATOM 0 HG SER A 63 5.779 26.955 3.328 1.00 0.00 H new ATOM 897 N GLY A 64 2.745 23.006 4.698 1.00 0.00 N ATOM 898 CA GLY A 64 2.216 22.655 6.004 1.00 0.00 C ATOM 899 C GLY A 64 1.186 21.535 5.892 1.00 0.00 C ATOM 900 O GLY A 64 1.211 20.602 6.693 1.00 0.00 O ATOM 0 H GLY A 64 2.242 22.567 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.030 22.342 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.758 23.531 6.463 1.00 0.00 H new ATOM 904 N GLY A 65 0.275 21.619 4.911 1.00 0.00 N ATOM 905 CA GLY A 65 -0.752 20.610 4.722 1.00 0.00 C ATOM 906 C GLY A 65 -1.725 20.992 3.609 1.00 0.00 C ATOM 907 O GLY A 65 -1.312 21.393 2.521 1.00 0.00 O ATOM 0 H GLY A 65 0.238 22.384 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.284 19.655 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.301 20.472 5.653 1.00 0.00 H new ATOM 911 N VAL A 66 -3.023 20.857 3.906 1.00 0.00 N ATOM 912 CA VAL A 66 -4.139 21.140 3.013 1.00 0.00 C ATOM 913 C VAL A 66 -4.384 22.656 2.929 1.00 0.00 C ATOM 914 O VAL A 66 -3.834 23.409 3.733 1.00 0.00 O ATOM 915 CB VAL A 66 -5.349 20.338 3.536 1.00 0.00 C ATOM 916 CG1 VAL A 66 -6.061 21.025 4.709 1.00 0.00 C ATOM 917 CG2 VAL A 66 -6.356 20.010 2.435 1.00 0.00 C ATOM 0 H VAL A 66 -3.332 20.531 4.822 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.936 20.830 1.988 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.928 19.402 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.903 20.413 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.363 21.148 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.424 22.003 4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.187 19.445 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.732 20.935 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.869 19.415 1.662 1.00 0.00 H new ATOM 927 N TYR A 67 -5.195 23.120 1.963 1.00 0.00 N ATOM 928 CA TYR A 67 -5.476 24.545 1.799 1.00 0.00 C ATOM 929 C TYR A 67 -6.238 25.096 3.008 1.00 0.00 C ATOM 930 O TYR A 67 -7.096 24.413 3.565 1.00 0.00 O ATOM 931 CB TYR A 67 -6.234 24.827 0.490 1.00 0.00 C ATOM 932 CG TYR A 67 -7.741 24.632 0.550 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.305 23.379 0.254 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.581 25.705 0.909 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.697 23.196 0.312 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.973 25.520 0.976 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.534 24.267 0.671 1.00 0.00 C ATOM 938 OH TYR A 67 -11.886 24.089 0.737 1.00 0.00 O ATOM 0 H TYR A 67 -5.666 22.521 1.285 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.519 25.063 1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.030 25.854 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.832 24.179 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.665 22.553 -0.019 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.154 26.672 1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.124 22.232 0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.613 26.342 1.262 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.314 24.930 1.001 1.00 0.00 H new ATOM 948 N THR A 68 -5.912 26.329 3.412 1.00 0.00 N ATOM 949 CA THR A 68 -6.521 27.032 4.517 1.00 0.00 C ATOM 950 C THR A 68 -6.899 28.427 4.012 1.00 0.00 C ATOM 951 O THR A 68 -6.034 29.177 3.559 1.00 0.00 O ATOM 952 CB THR A 68 -5.492 27.047 5.657 1.00 0.00 C ATOM 953 OG1 THR A 68 -5.577 25.829 6.369 1.00 0.00 O ATOM 954 CG2 THR A 68 -5.704 28.220 6.604 1.00 0.00 C ATOM 0 H THR A 68 -5.185 26.876 2.950 1.00 0.00 H new ATOM 0 HA THR A 68 -7.430 26.565 4.896 1.00 0.00 H new ATOM 0 HB THR A 68 -4.500 27.162 5.220 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.922 25.830 7.098 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.954 28.190 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.612 29.155 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.699 28.156 7.045 1.00 0.00 H new ATOM 962 N GLY A 69 -8.197 28.758 4.083 1.00 0.00 N ATOM 963 CA GLY A 69 -8.739 30.043 3.667 1.00 0.00 C ATOM 964 C GLY A 69 -8.915 30.119 2.151 1.00 0.00 C ATOM 965 O GLY A 69 -10.041 30.206 1.666 1.00 0.00 O ATOM 0 H GLY A 69 -8.908 28.120 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.701 30.207 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.075 30.842 3.997 1.00 0.00 H new ATOM 969 N GLY A 70 -7.793 30.095 1.422 1.00 0.00 N ATOM 970 CA GLY A 70 -7.724 30.171 -0.027 1.00 0.00 C ATOM 971 C GLY A 70 -6.685 31.224 -0.399 1.00 0.00 C ATOM 972 O GLY A 70 -5.504 31.048 -0.100 1.00 0.00 O ATOM 0 H GLY A 70 -6.872 30.018 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.451 29.203 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.697 30.434 -0.441 1.00 0.00 H new ATOM 976 N SER A 71 -7.127 32.315 -1.045 1.00 0.00 N ATOM 977 CA SER A 71 -6.282 33.432 -1.462 1.00 0.00 C ATOM 978 C SER A 71 -5.262 32.987 -2.531 1.00 0.00 C ATOM 979 O SER A 71 -5.278 31.823 -2.932 1.00 0.00 O ATOM 980 CB SER A 71 -5.642 34.067 -0.208 1.00 0.00 C ATOM 981 OG SER A 71 -5.808 35.469 -0.214 1.00 0.00 O ATOM 0 H SER A 71 -8.108 32.442 -1.295 1.00 0.00 H new ATOM 0 HA SER A 71 -6.880 34.203 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.096 33.647 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.580 33.822 -0.173 1.00 0.00 H new ATOM 0 HG SER A 71 -5.397 35.851 0.590 1.00 0.00 H new ATOM 987 N PRO A 72 -4.376 33.876 -3.022 1.00 0.00 N ATOM 988 CA PRO A 72 -3.285 33.511 -3.920 1.00 0.00 C ATOM 989 C PRO A 72 -2.416 32.368 -3.386 1.00 0.00 C ATOM 990 O PRO A 72 -2.393 32.096 -2.185 1.00 0.00 O ATOM 991 CB PRO A 72 -2.466 34.787 -4.129 1.00 0.00 C ATOM 992 CG PRO A 72 -3.499 35.890 -3.908 1.00 0.00 C ATOM 993 CD PRO A 72 -4.347 35.307 -2.780 1.00 0.00 C ATOM 0 HA PRO A 72 -3.687 33.128 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.640 34.858 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.034 34.831 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.034 36.834 -3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.089 36.083 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.914 35.532 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.353 35.727 -2.787 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.692 31.707 -4.294 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.833 30.582 -3.979 1.00 0.00 C ATOM 1003 C GLY A 73 -0.364 29.994 -5.299 1.00 0.00 C ATOM 1004 O GLY A 73 -0.942 29.021 -5.784 1.00 0.00 O ATOM 0 H GLY A 73 -1.693 31.950 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.017 30.903 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.373 29.836 -3.396 1.00 0.00 H new ATOM 1008 N ALA A 74 0.682 30.603 -5.874 1.00 0.00 N ATOM 1009 CA ALA A 74 1.267 30.209 -7.147 1.00 0.00 C ATOM 1010 C ALA A 74 1.597 28.723 -7.230 1.00 0.00 C ATOM 1011 O ALA A 74 1.454 28.164 -8.312 1.00 0.00 O ATOM 1012 CB ALA A 74 2.502 31.052 -7.446 1.00 0.00 C ATOM 0 H ALA A 74 1.151 31.403 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 74 0.507 30.393 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.929 30.746 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.221 32.104 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.240 30.909 -6.657 1.00 0.00 H new ATOM 1018 N ASP A 75 2.038 28.102 -6.125 1.00 0.00 N ATOM 1019 CA ASP A 75 2.358 26.683 -6.065 1.00 0.00 C ATOM 1020 C ASP A 75 1.037 25.912 -6.040 1.00 0.00 C ATOM 1021 O ASP A 75 0.244 26.069 -5.108 1.00 0.00 O ATOM 1022 CB ASP A 75 3.193 26.386 -4.816 1.00 0.00 C ATOM 1023 CG ASP A 75 4.431 27.276 -4.716 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.457 26.903 -5.320 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.327 28.316 -4.031 1.00 0.00 O ATOM 0 H ASP A 75 2.182 28.587 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 75 2.947 26.380 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.576 26.526 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.501 25.340 -4.829 1.00 0.00 H new ATOM 1030 N ARG A 76 0.803 25.071 -7.056 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.432 24.315 -7.166 1.00 0.00 C ATOM 1032 C ARG A 76 -0.276 22.917 -7.751 1.00 0.00 C ATOM 1033 O ARG A 76 0.394 22.730 -8.763 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.392 25.134 -8.051 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.769 24.506 -8.303 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.415 25.122 -9.545 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.767 26.532 -9.345 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.187 27.360 -10.317 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.353 26.921 -11.574 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.443 28.643 -10.025 1.00 0.00 N ATOM 0 H ARG A 76 1.464 24.903 -7.814 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.810 24.161 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.538 26.110 -7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.911 25.306 -9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.666 23.429 -8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.411 24.661 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.730 25.036 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.312 24.559 -9.803 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.687 26.911 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.160 25.946 -11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.672 27.562 -12.300 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.319 28.984 -9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.762 29.279 -10.756 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.915 21.945 -7.086 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.969 20.557 -7.510 1.00 0.00 C ATOM 1056 C VAL A 77 -2.341 20.438 -8.164 1.00 0.00 C ATOM 1057 O VAL A 77 -3.304 21.072 -7.738 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.754 19.529 -6.392 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.691 19.569 -5.895 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.703 19.662 -5.197 1.00 0.00 C ATOM 0 H VAL A 77 -1.419 22.117 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.146 20.321 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.982 18.568 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.824 18.833 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.366 19.340 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.915 20.563 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.472 18.892 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.581 20.646 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.732 19.544 -5.535 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.444 19.616 -9.201 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.684 19.455 -9.946 1.00 0.00 C ATOM 1072 C VAL A 78 -3.936 17.947 -10.067 1.00 0.00 C ATOM 1073 O VAL A 78 -2.993 17.203 -10.341 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.510 20.239 -11.260 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.782 20.226 -12.110 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.130 21.713 -10.958 1.00 0.00 C ATOM 0 H VAL A 78 -1.673 19.045 -9.547 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.579 19.862 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.714 19.747 -11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.613 20.791 -13.027 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.042 19.197 -12.360 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.599 20.680 -11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.010 22.257 -11.895 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.919 22.178 -10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.194 21.740 -10.400 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.190 17.506 -9.855 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.605 16.101 -9.887 1.00 0.00 C ATOM 1088 C ILE A 79 -6.604 15.783 -11.008 1.00 0.00 C ATOM 1089 O ILE A 79 -7.078 16.684 -11.696 1.00 0.00 O ATOM 1090 CB ILE A 79 -6.198 15.705 -8.514 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.584 16.328 -8.268 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.259 16.089 -7.363 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.333 15.660 -7.112 1.00 0.00 C ATOM 0 H ILE A 79 -5.962 18.141 -9.651 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.713 15.512 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.311 14.621 -8.541 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.468 17.391 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.181 16.248 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.708 15.796 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.304 15.578 -7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.097 17.167 -7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.304 16.139 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.476 14.603 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.753 15.763 -6.195 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.920 14.487 -11.158 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.856 13.919 -12.125 1.00 0.00 C ATOM 1107 C ASN A 80 -9.179 13.657 -11.396 1.00 0.00 C ATOM 1108 O ASN A 80 -9.194 13.610 -10.165 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.309 12.615 -12.714 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.019 12.802 -13.506 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -6.053 12.857 -14.733 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.879 12.889 -12.817 1.00 0.00 N ATOM 0 H ASN A 80 -6.500 13.769 -10.568 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.004 14.614 -12.951 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.130 11.906 -11.905 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.065 12.173 -13.364 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.993 13.006 -13.309 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.894 12.839 -11.798 1.00 0.00 H new ATOM 1119 N THR A 81 -10.287 13.473 -12.135 1.00 0.00 N ATOM 1120 CA THR A 81 -11.615 13.264 -11.547 1.00 0.00 C ATOM 1121 C THR A 81 -11.976 11.885 -11.010 1.00 0.00 C ATOM 1122 O THR A 81 -13.131 11.461 -11.053 1.00 0.00 O ATOM 1123 CB THR A 81 -12.699 13.961 -12.378 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.898 14.088 -11.641 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.951 13.192 -13.669 1.00 0.00 C ATOM 0 H THR A 81 -10.284 13.466 -13.155 1.00 0.00 H new ATOM 0 HA THR A 81 -11.552 13.768 -10.583 1.00 0.00 H new ATOM 0 HB THR A 81 -12.346 14.962 -12.627 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.075 13.254 -11.158 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.723 13.698 -14.249 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.031 13.147 -14.251 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.280 12.180 -13.432 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.970 11.193 -10.493 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.073 9.916 -9.866 1.00 0.00 C ATOM 1135 C ASN A 82 -10.427 10.157 -8.503 1.00 0.00 C ATOM 1136 O ASN A 82 -11.114 10.460 -7.529 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.410 8.871 -10.775 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.138 9.317 -11.506 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -8.027 9.108 -11.023 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.301 9.923 -12.685 1.00 0.00 N ATOM 0 H ASN A 82 -10.012 11.543 -10.510 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.075 9.513 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.169 7.996 -10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.139 8.553 -11.520 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.487 10.230 -13.217 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.239 10.079 -13.053 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.102 10.028 -8.463 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.254 10.220 -7.291 1.00 0.00 C ATOM 1149 C CYS A 83 -6.760 10.412 -7.599 1.00 0.00 C ATOM 1150 O CYS A 83 -5.998 10.711 -6.680 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.470 9.083 -6.277 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.098 9.484 -4.543 1.00 0.00 S ATOM 0 H CYS A 83 -8.564 9.773 -9.291 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.572 11.167 -6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.509 8.759 -6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.853 8.235 -6.574 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.321 10.266 -8.861 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.919 10.364 -9.232 1.00 0.00 C ATOM 1159 C GLU A 84 -4.430 11.805 -9.337 1.00 0.00 C ATOM 1160 O GLU A 84 -5.123 12.679 -9.846 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.711 9.634 -10.569 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.244 9.658 -11.029 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.012 8.884 -12.325 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.579 7.776 -12.444 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.262 9.412 -13.174 1.00 0.00 O ATOM 0 H GLU A 84 -6.941 10.076 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.330 9.898 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.041 8.600 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.336 10.096 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.930 10.692 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.616 9.237 -10.244 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.209 12.013 -8.834 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.485 13.270 -8.821 1.00 0.00 C ATOM 1174 C TYR A 85 -1.841 13.417 -10.206 1.00 0.00 C ATOM 1175 O TYR A 85 -1.049 12.564 -10.606 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.466 13.203 -7.667 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.306 14.170 -7.750 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.514 15.506 -8.139 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.995 13.725 -7.447 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.574 16.388 -8.227 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.082 14.601 -7.549 1.00 0.00 C ATOM 1182 CZ TYR A 85 1.873 15.930 -7.947 1.00 0.00 C ATOM 1183 OH TYR A 85 2.939 16.769 -8.043 1.00 0.00 O ATOM 0 H TYR A 85 -2.676 11.258 -8.402 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.111 14.145 -8.646 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.995 13.381 -6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.066 12.190 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.510 15.853 -8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.155 12.704 -7.135 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.413 17.418 -8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.079 14.255 -7.322 1.00 0.00 H new ATOM 0 HH TYR A 85 3.759 16.284 -7.813 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.170 14.500 -10.928 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.666 14.756 -12.271 1.00 0.00 C ATOM 1195 C ALA A 86 -0.250 15.330 -12.243 1.00 0.00 C ATOM 1196 O ALA A 86 0.658 14.720 -12.807 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.623 15.664 -13.052 1.00 0.00 C ATOM 0 H ALA A 86 -2.800 15.225 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.613 13.799 -12.791 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.224 15.840 -14.051 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.598 15.183 -13.130 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.728 16.616 -12.531 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.042 16.485 -11.593 1.00 0.00 N ATOM 1204 CA GLY A 87 1.287 17.085 -11.547 1.00 0.00 C ATOM 1205 C GLY A 87 1.350 18.404 -10.777 1.00 0.00 C ATOM 1206 O GLY A 87 0.350 19.112 -10.657 1.00 0.00 O ATOM 0 H GLY A 87 -0.766 17.009 -11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.978 16.377 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.633 17.255 -12.567 1.00 0.00 H new ATOM 1210 N ALA A 88 2.547 18.708 -10.252 1.00 0.00 N ATOM 1211 CA ALA A 88 2.857 19.914 -9.493 1.00 0.00 C ATOM 1212 C ALA A 88 3.396 20.979 -10.435 1.00 0.00 C ATOM 1213 O ALA A 88 4.372 20.749 -11.146 1.00 0.00 O ATOM 1214 CB ALA A 88 3.894 19.624 -8.405 1.00 0.00 C ATOM 0 H ALA A 88 3.353 18.091 -10.353 1.00 0.00 H new ATOM 0 HA ALA A 88 1.943 20.266 -9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.108 20.539 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.503 18.871 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.811 19.255 -8.865 1.00 0.00 H new ATOM 1220 N ILE A 89 2.755 22.149 -10.420 1.00 0.00 N ATOM 1221 CA ILE A 89 3.087 23.298 -11.243 1.00 0.00 C ATOM 1222 C ILE A 89 3.160 24.536 -10.340 1.00 0.00 C ATOM 1223 O ILE A 89 2.612 24.516 -9.240 1.00 0.00 O ATOM 1224 CB ILE A 89 2.059 23.410 -12.390 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.613 23.504 -11.867 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.187 22.199 -13.325 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.391 23.846 -12.973 1.00 0.00 C ATOM 0 H ILE A 89 1.959 22.322 -9.807 1.00 0.00 H new ATOM 0 HA ILE A 89 4.063 23.197 -11.719 1.00 0.00 H new ATOM 0 HB ILE A 89 2.277 24.329 -12.934 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.334 22.555 -11.408 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.561 24.263 -11.087 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.459 22.284 -14.132 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.192 22.168 -13.745 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.000 21.284 -12.763 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.394 23.900 -12.550 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.132 24.808 -13.415 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.362 23.074 -13.742 1.00 0.00 H new ATOM 1239 N THR A 90 3.837 25.612 -10.773 1.00 0.00 N ATOM 1240 CA THR A 90 3.968 26.825 -9.969 1.00 0.00 C ATOM 1241 C THR A 90 4.190 28.096 -10.792 1.00 0.00 C ATOM 1242 O THR A 90 4.694 28.013 -11.909 1.00 0.00 O ATOM 1243 CB THR A 90 5.103 26.639 -8.953 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.157 27.746 -8.079 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.473 26.450 -9.623 1.00 0.00 C ATOM 0 H THR A 90 4.302 25.660 -11.680 1.00 0.00 H new ATOM 0 HA THR A 90 3.016 26.970 -9.459 1.00 0.00 H new ATOM 0 HB THR A 90 4.882 25.729 -8.396 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.289 27.431 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.238 26.323 -8.857 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.447 25.566 -10.260 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.706 27.327 -10.227 1.00 0.00 H new ATOM 1253 N HIS A 91 3.802 29.268 -10.247 1.00 0.00 N ATOM 1254 CA HIS A 91 4.041 30.549 -10.940 1.00 0.00 C ATOM 1255 C HIS A 91 5.490 31.056 -10.782 1.00 0.00 C ATOM 1256 O HIS A 91 5.758 32.208 -11.121 1.00 0.00 O ATOM 1257 CB HIS A 91 3.119 31.747 -10.614 1.00 0.00 C ATOM 1258 CG HIS A 91 1.632 31.546 -10.671 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.747 32.581 -10.408 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.848 30.465 -10.965 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.494 32.091 -10.554 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.501 30.799 -10.889 1.00 0.00 N ATOM 0 H HIS A 91 3.331 29.353 -9.346 1.00 0.00 H new ATOM 0 HA HIS A 91 3.806 30.243 -11.959 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.368 32.093 -9.611 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.370 32.555 -11.301 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.224 29.486 -11.221 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.390 32.678 -10.415 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.308 30.196 -11.052 1.00 0.00 H new ATOM 1270 N THR A 92 6.435 30.249 -10.272 1.00 0.00 N ATOM 1271 CA THR A 92 7.819 30.679 -10.075 1.00 0.00 C ATOM 1272 C THR A 92 8.462 31.187 -11.366 1.00 0.00 C ATOM 1273 O THR A 92 8.729 32.379 -11.505 1.00 0.00 O ATOM 1274 CB THR A 92 8.659 29.571 -9.417 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.058 29.169 -8.203 1.00 0.00 O ATOM 1276 CG2 THR A 92 10.077 30.085 -9.131 1.00 0.00 C ATOM 0 H THR A 92 6.257 29.286 -9.988 1.00 0.00 H new ATOM 0 HA THR A 92 7.794 31.527 -9.390 1.00 0.00 H new ATOM 0 HB THR A 92 8.712 28.721 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.208 28.720 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.664 29.293 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.550 30.386 -10.066 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.025 30.941 -8.459 1.00 0.00 H new ATOM 1284 N GLY A 93 8.710 30.267 -12.297 1.00 0.00 N ATOM 1285 CA GLY A 93 9.328 30.547 -13.585 1.00 0.00 C ATOM 1286 C GLY A 93 8.342 31.115 -14.610 1.00 0.00 C ATOM 1287 O GLY A 93 8.723 31.335 -15.759 1.00 0.00 O ATOM 0 H GLY A 93 8.479 29.282 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.145 31.255 -13.444 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.765 29.630 -13.979 1.00 0.00 H new ATOM 1291 N ALA A 94 7.085 31.353 -14.210 1.00 0.00 N ATOM 1292 CA ALA A 94 6.048 31.901 -15.070 1.00 0.00 C ATOM 1293 C ALA A 94 6.274 33.389 -15.336 1.00 0.00 C ATOM 1294 O ALA A 94 6.971 34.064 -14.580 1.00 0.00 O ATOM 1295 CB ALA A 94 4.697 31.697 -14.389 1.00 0.00 C ATOM 0 H ALA A 94 6.763 31.164 -13.261 1.00 0.00 H new ATOM 0 HA ALA A 94 6.075 31.386 -16.030 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.906 32.102 -15.020 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.526 30.632 -14.232 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.693 32.211 -13.428 1.00 0.00 H new ATOM 1301 N SER A 95 5.665 33.894 -16.417 1.00 0.00 N ATOM 1302 CA SER A 95 5.752 35.292 -16.812 1.00 0.00 C ATOM 1303 C SER A 95 4.989 36.164 -15.810 1.00 0.00 C ATOM 1304 O SER A 95 5.506 37.187 -15.367 1.00 0.00 O ATOM 1305 CB SER A 95 5.208 35.458 -18.235 1.00 0.00 C ATOM 1306 OG SER A 95 5.335 36.800 -18.654 1.00 0.00 O ATOM 0 H SER A 95 5.093 33.330 -17.045 1.00 0.00 H new ATOM 0 HA SER A 95 6.793 35.615 -16.809 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.750 34.804 -18.918 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.161 35.157 -18.269 1.00 0.00 H new ATOM 0 HG SER A 95 4.986 36.893 -19.565 1.00 0.00 H new ATOM 1312 N GLY A 96 3.766 35.748 -15.455 1.00 0.00 N ATOM 1313 CA GLY A 96 2.917 36.446 -14.506 1.00 0.00 C ATOM 1314 C GLY A 96 1.833 35.496 -14.008 1.00 0.00 C ATOM 1315 O GLY A 96 2.008 34.839 -12.982 1.00 0.00 O ATOM 0 H GLY A 96 3.340 34.901 -15.831 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.511 36.810 -13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.464 37.318 -14.978 1.00 0.00 H new ATOM 1319 N ASN A 97 0.719 35.421 -14.747 1.00 0.00 N ATOM 1320 CA ASN A 97 -0.418 34.561 -14.433 1.00 0.00 C ATOM 1321 C ASN A 97 -0.289 33.192 -15.120 1.00 0.00 C ATOM 1322 O ASN A 97 -1.267 32.449 -15.193 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.709 35.273 -14.860 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.893 36.608 -14.136 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.503 36.656 -13.069 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.374 37.695 -14.713 1.00 0.00 N ATOM 0 H ASN A 97 0.585 35.970 -15.596 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.443 34.376 -13.359 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.690 35.444 -15.936 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.564 34.628 -14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.477 38.607 -14.268 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.875 37.613 -15.599 1.00 0.00 H new ATOM 1333 N ASN A 98 0.911 32.851 -15.614 1.00 0.00 N ATOM 1334 CA ASN A 98 1.204 31.601 -16.304 1.00 0.00 C ATOM 1335 C ASN A 98 1.680 30.551 -15.293 1.00 0.00 C ATOM 1336 O ASN A 98 1.553 30.748 -14.084 1.00 0.00 O ATOM 1337 CB ASN A 98 2.202 31.879 -17.442 1.00 0.00 C ATOM 1338 CG ASN A 98 1.611 32.820 -18.492 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.148 32.371 -19.538 1.00 0.00 O ATOM 1340 ND2 ASN A 98 1.625 34.129 -18.221 1.00 0.00 N ATOM 0 H ASN A 98 1.724 33.462 -15.538 1.00 0.00 H new ATOM 0 HA ASN A 98 0.310 31.184 -16.768 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.111 32.317 -17.030 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.487 30.939 -17.914 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.242 34.793 -18.894 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.018 34.464 -17.341 1.00 0.00 H new ATOM 1347 N PHE A 99 2.218 29.433 -15.790 1.00 0.00 N ATOM 1348 CA PHE A 99 2.698 28.329 -14.971 1.00 0.00 C ATOM 1349 C PHE A 99 3.898 27.619 -15.603 1.00 0.00 C ATOM 1350 O PHE A 99 4.135 27.720 -16.806 1.00 0.00 O ATOM 1351 CB PHE A 99 1.548 27.314 -14.835 1.00 0.00 C ATOM 1352 CG PHE A 99 0.706 27.455 -13.586 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.200 26.926 -12.385 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.553 28.083 -13.607 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.451 27.015 -11.203 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.306 28.179 -12.422 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.803 27.644 -11.220 1.00 0.00 C ATOM 0 H PHE A 99 2.332 29.273 -16.791 1.00 0.00 H new ATOM 0 HA PHE A 99 3.016 28.725 -14.007 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.897 27.408 -15.704 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.968 26.308 -14.859 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.167 26.445 -12.370 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.940 28.490 -14.529 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.838 26.601 -10.283 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.271 28.664 -12.434 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.383 27.718 -10.312 1.00 0.00 H new ATOM 1367 N VAL A 100 4.648 26.906 -14.752 1.00 0.00 N ATOM 1368 CA VAL A 100 5.815 26.093 -15.080 1.00 0.00 C ATOM 1369 C VAL A 100 5.712 24.806 -14.266 1.00 0.00 C ATOM 1370 O VAL A 100 4.930 24.730 -13.323 1.00 0.00 O ATOM 1371 CB VAL A 100 7.157 26.810 -14.853 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.384 27.890 -15.913 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.310 27.390 -13.446 1.00 0.00 C ATOM 0 H VAL A 100 4.438 26.884 -13.754 1.00 0.00 H new ATOM 0 HA VAL A 100 5.809 25.881 -16.149 1.00 0.00 H new ATOM 0 HB VAL A 100 7.928 26.046 -14.951 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.339 28.383 -15.731 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.394 27.432 -16.902 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.581 28.625 -15.861 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.279 27.880 -13.358 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.518 28.116 -13.264 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.242 26.587 -12.712 1.00 0.00 H new ATOM 1383 N GLY A 101 6.511 23.798 -14.627 1.00 0.00 N ATOM 1384 CA GLY A 101 6.510 22.496 -13.974 1.00 0.00 C ATOM 1385 C GLY A 101 7.513 22.389 -12.829 1.00 0.00 C ATOM 1386 O GLY A 101 8.638 22.872 -12.946 1.00 0.00 O ATOM 0 H GLY A 101 7.183 23.869 -15.391 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.510 22.291 -13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.732 21.727 -14.714 1.00 0.00 H new ATOM 1390 N CYS A 102 7.094 21.753 -11.726 1.00 0.00 N ATOM 1391 CA CYS A 102 7.930 21.527 -10.552 1.00 0.00 C ATOM 1392 C CYS A 102 8.751 20.253 -10.780 1.00 0.00 C ATOM 1393 O CYS A 102 8.779 19.719 -11.890 1.00 0.00 O ATOM 1394 CB CYS A 102 7.084 21.491 -9.273 1.00 0.00 C ATOM 1395 SG CYS A 102 6.014 22.932 -9.001 1.00 0.00 S ATOM 0 H CYS A 102 6.150 21.378 -11.629 1.00 0.00 H new ATOM 0 HA CYS A 102 8.626 22.354 -10.411 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.461 20.597 -9.296 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.753 21.391 -8.418 1.00 0.00 H new ATOM 1400 N SER A 103 9.422 19.753 -9.737 1.00 0.00 N ATOM 1401 CA SER A 103 10.253 18.558 -9.868 1.00 0.00 C ATOM 1402 C SER A 103 9.387 17.315 -10.080 1.00 0.00 C ATOM 1403 O SER A 103 8.389 17.118 -9.390 1.00 0.00 O ATOM 1404 CB SER A 103 11.181 18.408 -8.664 1.00 0.00 C ATOM 1405 OG SER A 103 12.092 17.351 -8.874 1.00 0.00 O ATOM 0 H SER A 103 9.405 20.156 -8.800 1.00 0.00 H new ATOM 0 HA SER A 103 10.883 18.669 -10.751 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.725 19.338 -8.498 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.594 18.217 -7.766 1.00 0.00 H new ATOM 0 HG SER A 103 12.681 17.268 -8.095 1.00 0.00 H new ATOM 1411 N GLY A 104 9.777 16.478 -11.045 1.00 0.00 N ATOM 1412 CA GLY A 104 9.058 15.262 -11.390 1.00 0.00 C ATOM 1413 C GLY A 104 7.718 15.582 -12.058 1.00 0.00 C ATOM 1414 O GLY A 104 6.742 14.864 -11.853 1.00 0.00 O ATOM 0 H GLY A 104 10.611 16.633 -11.611 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.666 14.655 -12.061 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.887 14.670 -10.491 1.00 0.00 H new ATOM 1418 N THR A 105 7.678 16.667 -12.847 1.00 0.00 N ATOM 1419 CA THR A 105 6.507 17.123 -13.581 1.00 0.00 C ATOM 1420 C THR A 105 7.003 17.807 -14.853 1.00 0.00 C ATOM 1421 O THR A 105 7.502 18.932 -14.801 1.00 0.00 O ATOM 1422 CB THR A 105 5.641 18.064 -12.722 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.105 17.364 -11.617 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.482 18.633 -13.550 1.00 0.00 C ATOM 0 H THR A 105 8.492 17.265 -12.990 1.00 0.00 H new ATOM 0 HA THR A 105 5.866 16.280 -13.840 1.00 0.00 H new ATOM 0 HB THR A 105 6.275 18.878 -12.372 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.278 17.868 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.881 19.295 -12.927 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.880 19.193 -14.396 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.860 17.816 -13.916 1.00 0.00 H new ATOM 1432 N ASN A 106 6.868 17.116 -15.993 1.00 0.00 N ATOM 1433 CA ASN A 106 7.273 17.613 -17.298 1.00 0.00 C ATOM 1434 C ASN A 106 6.263 18.657 -17.782 1.00 0.00 C ATOM 1435 O ASN A 106 6.627 19.853 -17.750 1.00 0.00 O ATOM 1436 CB ASN A 106 7.390 16.430 -18.273 1.00 0.00 C ATOM 1437 CG ASN A 106 7.890 16.834 -19.661 1.00 0.00 C ATOM 1438 OD1 ASN A 106 8.421 17.928 -19.852 1.00 0.00 O ATOM 1439 ND2 ASN A 106 7.726 15.939 -20.638 1.00 0.00 N ATOM 1440 OXT ASN A 106 5.094 18.263 -17.991 1.00 0.00 O ATOM 0 H ASN A 106 6.466 16.179 -16.026 1.00 0.00 H new ATOM 0 HA ASN A 106 8.247 18.098 -17.238 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.068 15.688 -17.852 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.415 15.952 -18.371 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.046 16.151 -21.583 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.281 15.043 -20.439 1.00 0.00 H new TER 1447 ASN A 106