USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 38:sc= 0.487 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -46:sc= -3.22! USER MOD Single : A 35 SER OG : rot 11:sc= 0.102 USER MOD Single : A 41 SER OG : rot 38:sc= 0.415 USER MOD Single : A 43 HIS : no HD1:sc= -5.94! C(o=-5.9!,f=-7.6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 61 SER OG : rot 180:sc= -1.22 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.153) USER MOD Single : A 71 HIS : no HD1:sc= 0.49 K(o=0.49,f=-1.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 88 GLN : amide:sc= -5.3! C(o=-5.3!,f=-5.7!) USER MOD Single : A 91 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.014) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.958 -0.088 0.609 1.00 0.00 N ATOM 2 CA MET A 23 -4.610 1.289 0.915 1.00 0.00 C ATOM 3 C MET A 23 -3.404 1.746 0.093 1.00 0.00 C ATOM 4 O MET A 23 -2.371 2.114 0.652 1.00 0.00 O ATOM 5 CB MET A 23 -4.290 1.415 2.406 1.00 0.00 C ATOM 6 CG MET A 23 -5.527 1.126 3.259 1.00 0.00 C ATOM 7 SD MET A 23 -5.619 -0.617 3.630 1.00 0.00 S ATOM 8 CE MET A 23 -4.882 -0.627 5.256 1.00 0.00 C ATOM 0 HA MET A 23 -5.459 1.924 0.662 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.492 0.721 2.670 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.923 2.419 2.619 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.484 1.701 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.426 1.441 2.729 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.860 -1.647 5.639 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.865 -0.240 5.197 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.470 -0.000 5.926 1.00 0.00 H new ATOM 18 N SER A 24 -3.574 1.708 -1.220 1.00 0.00 N ATOM 19 CA SER A 24 -2.512 2.114 -2.124 1.00 0.00 C ATOM 20 C SER A 24 -2.118 3.567 -1.851 1.00 0.00 C ATOM 21 O SER A 24 -2.914 4.480 -2.067 1.00 0.00 O ATOM 22 CB SER A 24 -2.937 1.944 -3.584 1.00 0.00 C ATOM 23 OG SER A 24 -4.036 2.785 -3.921 1.00 0.00 O ATOM 0 H SER A 24 -4.432 1.402 -1.680 1.00 0.00 H new ATOM 0 HA SER A 24 -1.649 1.472 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.093 2.171 -4.236 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.208 0.904 -3.764 1.00 0.00 H new ATOM 0 HG SER A 24 -3.938 3.648 -3.468 1.00 0.00 H new ATOM 29 N ILE A 25 -0.891 3.736 -1.382 1.00 0.00 N ATOM 30 CA ILE A 25 -0.383 5.063 -1.077 1.00 0.00 C ATOM 31 C ILE A 25 -0.422 5.922 -2.342 1.00 0.00 C ATOM 32 O ILE A 25 -0.172 5.428 -3.441 1.00 0.00 O ATOM 33 CB ILE A 25 1.005 4.972 -0.439 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.998 4.290 -1.382 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.937 4.276 0.922 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.674 5.312 -2.299 1.00 0.00 C ATOM 0 H ILE A 25 -0.233 2.976 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.017 5.553 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 25 1.369 5.985 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.754 3.762 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.480 3.543 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.936 4.224 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.283 4.840 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.543 3.267 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.375 4.801 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.918 5.821 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.212 6.043 -1.695 1.00 0.00 H new ATOM 48 N GLU A 26 -0.738 7.194 -2.146 1.00 0.00 N ATOM 49 CA GLU A 26 -0.814 8.127 -3.257 1.00 0.00 C ATOM 50 C GLU A 26 0.108 9.323 -3.010 1.00 0.00 C ATOM 51 O GLU A 26 0.552 9.546 -1.885 1.00 0.00 O ATOM 52 CB GLU A 26 -2.255 8.584 -3.492 1.00 0.00 C ATOM 53 CG GLU A 26 -2.601 8.561 -4.982 1.00 0.00 C ATOM 54 CD GLU A 26 -2.995 9.955 -5.475 1.00 0.00 C ATOM 55 OE1 GLU A 26 -3.770 10.616 -4.750 1.00 0.00 O ATOM 56 OE2 GLU A 26 -2.513 10.328 -6.566 1.00 0.00 O ATOM 0 H GLU A 26 -0.944 7.600 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.479 7.615 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.940 7.935 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.389 9.592 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.746 8.198 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.420 7.864 -5.158 1.00 0.00 H new ATOM 63 N ILE A 27 0.368 10.060 -4.080 1.00 0.00 N ATOM 64 CA ILE A 27 1.229 11.227 -3.993 1.00 0.00 C ATOM 65 C ILE A 27 0.594 12.383 -4.769 1.00 0.00 C ATOM 66 O ILE A 27 -0.001 12.173 -5.825 1.00 0.00 O ATOM 67 CB ILE A 27 2.647 10.883 -4.454 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.687 11.690 -3.675 1.00 0.00 C ATOM 69 CG2 ILE A 27 2.792 11.068 -5.966 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.955 13.036 -4.350 1.00 0.00 C ATOM 0 H ILE A 27 -0.002 9.872 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 27 1.326 11.552 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 27 2.830 9.830 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.337 11.854 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.615 11.123 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.809 10.817 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.089 10.414 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.582 12.105 -6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.698 13.589 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.328 12.868 -5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.030 13.611 -4.396 1.00 0.00 H new ATOM 82 N ASP A 28 0.742 13.577 -4.216 1.00 0.00 N ATOM 83 CA ASP A 28 0.190 14.766 -4.843 1.00 0.00 C ATOM 84 C ASP A 28 1.274 15.843 -4.927 1.00 0.00 C ATOM 85 O ASP A 28 1.413 16.661 -4.020 1.00 0.00 O ATOM 86 CB ASP A 28 -0.974 15.330 -4.026 1.00 0.00 C ATOM 87 CG ASP A 28 -2.348 15.204 -4.686 1.00 0.00 C ATOM 88 OD1 ASP A 28 -3.218 16.036 -4.349 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.498 14.279 -5.513 1.00 0.00 O ATOM 0 H ASP A 28 1.236 13.747 -3.340 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.167 14.489 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.002 14.821 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.780 16.383 -3.824 1.00 0.00 H new ATOM 94 N SER A 29 2.015 15.807 -6.025 1.00 0.00 N ATOM 95 CA SER A 29 3.082 16.770 -6.240 1.00 0.00 C ATOM 96 C SER A 29 2.491 18.139 -6.580 1.00 0.00 C ATOM 97 O SER A 29 2.944 19.160 -6.064 1.00 0.00 O ATOM 98 CB SER A 29 4.024 16.308 -7.353 1.00 0.00 C ATOM 99 OG SER A 29 5.089 17.230 -7.567 1.00 0.00 O ATOM 0 H SER A 29 1.898 15.126 -6.775 1.00 0.00 H new ATOM 0 HA SER A 29 3.661 16.850 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.436 15.331 -7.098 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.460 16.184 -8.278 1.00 0.00 H new ATOM 0 HG SER A 29 5.669 16.899 -8.284 1.00 0.00 H new ATOM 105 N GLU A 30 1.487 18.117 -7.445 1.00 0.00 N ATOM 106 CA GLU A 30 0.830 19.345 -7.859 1.00 0.00 C ATOM 107 C GLU A 30 0.461 20.188 -6.637 1.00 0.00 C ATOM 108 O GLU A 30 0.577 21.413 -6.666 1.00 0.00 O ATOM 109 CB GLU A 30 -0.405 19.044 -8.711 1.00 0.00 C ATOM 110 CG GLU A 30 -1.179 17.848 -8.152 1.00 0.00 C ATOM 111 CD GLU A 30 -2.680 18.142 -8.099 1.00 0.00 C ATOM 112 OE1 GLU A 30 -3.186 18.304 -6.967 1.00 0.00 O ATOM 113 OE2 GLU A 30 -3.286 18.199 -9.190 1.00 0.00 O ATOM 0 H GLU A 30 1.113 17.269 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 30 1.525 19.917 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.053 19.920 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.102 18.838 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.998 16.971 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.816 17.611 -7.152 1.00 0.00 H new ATOM 120 N GLN A 31 0.024 19.500 -5.593 1.00 0.00 N ATOM 121 CA GLN A 31 -0.362 20.170 -4.363 1.00 0.00 C ATOM 122 C GLN A 31 0.784 20.124 -3.350 1.00 0.00 C ATOM 123 O GLN A 31 0.898 21.000 -2.495 1.00 0.00 O ATOM 124 CB GLN A 31 -1.635 19.555 -3.779 1.00 0.00 C ATOM 125 CG GLN A 31 -2.883 20.208 -4.375 1.00 0.00 C ATOM 126 CD GLN A 31 -3.830 20.688 -3.273 1.00 0.00 C ATOM 127 OE1 GLN A 31 -4.707 19.973 -2.818 1.00 0.00 O ATOM 128 NE2 GLN A 31 -3.604 21.936 -2.872 1.00 0.00 N ATOM 0 H GLN A 31 -0.071 18.485 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.575 21.214 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.650 18.484 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.638 19.677 -2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.593 21.051 -5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.399 19.495 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.852 22.480 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.183 22.349 -2.141 1.00 0.00 H new ATOM 137 N GLY A 32 1.605 19.092 -3.481 1.00 0.00 N ATOM 138 CA GLY A 32 2.738 18.919 -2.588 1.00 0.00 C ATOM 139 C GLY A 32 2.309 18.250 -1.280 1.00 0.00 C ATOM 140 O GLY A 32 2.806 18.595 -0.210 1.00 0.00 O ATOM 0 H GLY A 32 1.508 18.367 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.502 18.314 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.188 19.888 -2.374 1.00 0.00 H new ATOM 144 N VAL A 33 1.390 17.304 -1.411 1.00 0.00 N ATOM 145 CA VAL A 33 0.888 16.584 -0.253 1.00 0.00 C ATOM 146 C VAL A 33 0.825 15.089 -0.576 1.00 0.00 C ATOM 147 O VAL A 33 0.889 14.699 -1.741 1.00 0.00 O ATOM 148 CB VAL A 33 -0.463 17.160 0.177 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.301 16.107 0.905 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.276 18.407 1.043 1.00 0.00 C ATOM 0 H VAL A 33 0.980 17.020 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 33 1.562 16.706 0.595 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.004 17.455 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.256 16.542 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.477 15.260 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.767 15.768 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.251 18.797 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.294 18.148 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.263 19.166 0.476 1.00 0.00 H new ATOM 160 N CYS A 34 0.700 14.294 0.476 1.00 0.00 N ATOM 161 CA CYS A 34 0.628 12.851 0.319 1.00 0.00 C ATOM 162 C CYS A 34 -0.725 12.377 0.854 1.00 0.00 C ATOM 163 O CYS A 34 -1.229 12.912 1.840 1.00 0.00 O ATOM 164 CB CYS A 34 1.794 12.147 1.015 1.00 0.00 C ATOM 165 SG CYS A 34 2.017 12.822 2.701 1.00 0.00 S ATOM 0 H CYS A 34 0.647 14.621 1.441 1.00 0.00 H new ATOM 0 HA CYS A 34 0.712 12.593 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.604 11.075 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.708 12.282 0.437 1.00 0.00 H new ATOM 0 HG CYS A 34 1.971 14.120 2.658 1.00 0.00 H new ATOM 171 N SER A 35 -1.275 11.378 0.179 1.00 0.00 N ATOM 172 CA SER A 35 -2.560 10.826 0.574 1.00 0.00 C ATOM 173 C SER A 35 -2.618 9.337 0.228 1.00 0.00 C ATOM 174 O SER A 35 -2.441 8.958 -0.929 1.00 0.00 O ATOM 175 CB SER A 35 -3.712 11.573 -0.101 1.00 0.00 C ATOM 176 OG SER A 35 -3.975 12.826 0.525 1.00 0.00 O ATOM 0 H SER A 35 -0.854 10.937 -0.639 1.00 0.00 H new ATOM 0 HA SER A 35 -2.667 10.947 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.472 11.736 -1.152 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.611 10.957 -0.071 1.00 0.00 H new ATOM 0 HG SER A 35 -3.250 13.039 1.149 1.00 0.00 H new ATOM 182 N VAL A 36 -2.867 8.533 1.252 1.00 0.00 N ATOM 183 CA VAL A 36 -2.951 7.094 1.070 1.00 0.00 C ATOM 184 C VAL A 36 -4.419 6.686 0.932 1.00 0.00 C ATOM 185 O VAL A 36 -5.308 7.380 1.422 1.00 0.00 O ATOM 186 CB VAL A 36 -2.237 6.379 2.219 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.809 6.810 3.572 1.00 0.00 C ATOM 188 CG2 VAL A 36 -2.312 4.860 2.051 1.00 0.00 C ATOM 0 H VAL A 36 -3.013 8.851 2.210 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.443 6.795 0.153 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.186 6.667 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.284 6.287 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.680 7.885 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.870 6.565 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.797 4.376 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.356 4.546 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.837 4.574 1.113 1.00 0.00 H new ATOM 198 N GLU A 37 -4.627 5.563 0.262 1.00 0.00 N ATOM 199 CA GLU A 37 -5.972 5.054 0.053 1.00 0.00 C ATOM 200 C GLU A 37 -6.457 4.309 1.298 1.00 0.00 C ATOM 201 O GLU A 37 -5.678 3.624 1.959 1.00 0.00 O ATOM 202 CB GLU A 37 -6.033 4.155 -1.183 1.00 0.00 C ATOM 203 CG GLU A 37 -7.258 4.482 -2.040 1.00 0.00 C ATOM 204 CD GLU A 37 -8.126 3.240 -2.253 1.00 0.00 C ATOM 205 OE1 GLU A 37 -9.260 3.244 -1.729 1.00 0.00 O ATOM 206 OE2 GLU A 37 -7.635 2.315 -2.935 1.00 0.00 O ATOM 0 H GLU A 37 -3.887 4.991 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.636 5.900 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.126 4.282 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.069 3.110 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.846 5.263 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.937 4.875 -3.005 1.00 0.00 H new ATOM 213 N ILE A 38 -7.742 4.466 1.581 1.00 0.00 N ATOM 214 CA ILE A 38 -8.340 3.816 2.735 1.00 0.00 C ATOM 215 C ILE A 38 -9.823 3.561 2.459 1.00 0.00 C ATOM 216 O ILE A 38 -10.371 4.060 1.477 1.00 0.00 O ATOM 217 CB ILE A 38 -8.081 4.632 4.003 1.00 0.00 C ATOM 218 CG1 ILE A 38 -6.762 5.400 3.901 1.00 0.00 C ATOM 219 CG2 ILE A 38 -8.132 3.743 5.247 1.00 0.00 C ATOM 220 CD1 ILE A 38 -6.571 6.324 5.106 1.00 0.00 C ATOM 0 H ILE A 38 -8.386 5.034 1.031 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.876 2.845 2.909 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.877 5.371 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.931 4.697 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.749 5.987 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.945 4.348 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.116 3.281 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.371 2.966 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.626 6.858 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.391 7.041 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.560 5.731 6.021 1.00 0.00 H new ATOM 232 N GLU A 39 -10.431 2.785 3.344 1.00 0.00 N ATOM 233 CA GLU A 39 -11.840 2.457 3.208 1.00 0.00 C ATOM 234 C GLU A 39 -12.628 3.684 2.745 1.00 0.00 C ATOM 235 O GLU A 39 -13.651 3.553 2.074 1.00 0.00 O ATOM 236 CB GLU A 39 -12.404 1.907 4.520 1.00 0.00 C ATOM 237 CG GLU A 39 -12.597 3.026 5.546 1.00 0.00 C ATOM 238 CD GLU A 39 -14.009 3.610 5.461 1.00 0.00 C ATOM 239 OE1 GLU A 39 -14.882 3.090 6.189 1.00 0.00 O ATOM 240 OE2 GLU A 39 -14.183 4.562 4.671 1.00 0.00 O ATOM 0 H GLU A 39 -9.974 2.374 4.158 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.940 1.678 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.357 1.413 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.728 1.152 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.419 2.639 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.863 3.813 5.373 1.00 0.00 H new ATOM 247 N GLY A 40 -12.122 4.850 3.120 1.00 0.00 N ATOM 248 CA GLY A 40 -12.765 6.099 2.751 1.00 0.00 C ATOM 249 C GLY A 40 -11.731 7.206 2.538 1.00 0.00 C ATOM 250 O GLY A 40 -12.043 8.388 2.681 1.00 0.00 O ATOM 0 H GLY A 40 -11.273 4.956 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.345 5.958 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.465 6.396 3.532 1.00 0.00 H new ATOM 254 N SER A 41 -10.521 6.785 2.199 1.00 0.00 N ATOM 255 CA SER A 41 -9.439 7.726 1.964 1.00 0.00 C ATOM 256 C SER A 41 -9.557 8.909 2.927 1.00 0.00 C ATOM 257 O SER A 41 -10.202 9.908 2.613 1.00 0.00 O ATOM 258 CB SER A 41 -9.442 8.219 0.516 1.00 0.00 C ATOM 259 OG SER A 41 -10.714 8.734 0.130 1.00 0.00 O ATOM 0 H SER A 41 -10.266 5.804 2.081 1.00 0.00 H new ATOM 0 HA SER A 41 -8.494 7.212 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.685 8.994 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.167 7.399 -0.147 1.00 0.00 H new ATOM 0 HG SER A 41 -11.111 9.222 0.881 1.00 0.00 H new ATOM 265 N ARG A 42 -8.923 8.757 4.081 1.00 0.00 N ATOM 266 CA ARG A 42 -8.949 9.800 5.092 1.00 0.00 C ATOM 267 C ARG A 42 -7.535 10.071 5.611 1.00 0.00 C ATOM 268 O ARG A 42 -7.269 9.926 6.803 1.00 0.00 O ATOM 269 CB ARG A 42 -9.849 9.408 6.266 1.00 0.00 C ATOM 270 CG ARG A 42 -10.618 10.620 6.796 1.00 0.00 C ATOM 271 CD ARG A 42 -11.997 10.723 6.141 1.00 0.00 C ATOM 272 NE ARG A 42 -12.755 9.471 6.359 1.00 0.00 N ATOM 273 CZ ARG A 42 -13.973 9.233 5.854 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.578 10.160 5.099 1.00 0.00 N ATOM 275 NH2 ARG A 42 -14.586 8.068 6.103 1.00 0.00 N ATOM 0 H ARG A 42 -8.388 7.927 4.338 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.349 10.701 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.552 8.637 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.244 8.979 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.730 10.540 7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.050 11.530 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.545 11.567 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.888 10.911 5.073 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.323 8.744 6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.111 11.047 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.505 9.979 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.125 7.362 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.513 7.887 5.718 1.00 0.00 H new ATOM 289 N HIS A 43 -6.666 10.461 4.689 1.00 0.00 N ATOM 290 CA HIS A 43 -5.286 10.753 5.039 1.00 0.00 C ATOM 291 C HIS A 43 -4.883 12.106 4.448 1.00 0.00 C ATOM 292 O HIS A 43 -5.641 12.705 3.687 1.00 0.00 O ATOM 293 CB HIS A 43 -4.362 9.616 4.600 1.00 0.00 C ATOM 294 CG HIS A 43 -3.867 8.754 5.737 1.00 0.00 C ATOM 295 ND1 HIS A 43 -4.718 8.039 6.561 1.00 0.00 N ATOM 296 CD2 HIS A 43 -2.601 8.499 6.176 1.00 0.00 C ATOM 297 CE1 HIS A 43 -3.986 7.387 7.453 1.00 0.00 C ATOM 298 NE2 HIS A 43 -2.675 7.674 7.213 1.00 0.00 N ATOM 0 H HIS A 43 -6.891 10.581 3.701 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.189 10.824 6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.891 8.987 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.504 10.040 4.078 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.693 8.900 5.752 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.362 6.742 8.233 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.882 7.314 7.743 1.00 0.00 H new ATOM 306 N ARG A 44 -3.691 12.548 4.822 1.00 0.00 N ATOM 307 CA ARG A 44 -3.179 13.819 4.339 1.00 0.00 C ATOM 308 C ARG A 44 -1.977 14.259 5.178 1.00 0.00 C ATOM 309 O ARG A 44 -2.031 14.236 6.406 1.00 0.00 O ATOM 310 CB ARG A 44 -4.256 14.904 4.395 1.00 0.00 C ATOM 311 CG ARG A 44 -4.745 15.263 2.991 1.00 0.00 C ATOM 312 CD ARG A 44 -6.258 15.490 2.978 1.00 0.00 C ATOM 313 NE ARG A 44 -6.852 14.871 1.772 1.00 0.00 N ATOM 314 CZ ARG A 44 -8.166 14.849 1.509 1.00 0.00 C ATOM 315 NH1 ARG A 44 -9.030 15.412 2.365 1.00 0.00 N ATOM 316 NH2 ARG A 44 -8.616 14.265 0.390 1.00 0.00 N ATOM 0 H ARG A 44 -3.065 12.048 5.454 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.873 13.681 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.095 14.558 4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.857 15.793 4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.236 16.162 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.488 14.463 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.706 15.062 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.474 16.558 2.993 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.222 14.434 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.687 15.857 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.030 15.395 2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.958 13.837 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.616 14.248 0.190 1.00 0.00 H new ATOM 330 N ALA A 45 -0.921 14.650 4.480 1.00 0.00 N ATOM 331 CA ALA A 45 0.292 15.095 5.144 1.00 0.00 C ATOM 332 C ALA A 45 1.289 15.594 4.096 1.00 0.00 C ATOM 333 O ALA A 45 1.068 15.431 2.897 1.00 0.00 O ATOM 334 CB ALA A 45 0.859 13.954 5.991 1.00 0.00 C ATOM 0 H ALA A 45 -0.880 14.668 3.461 1.00 0.00 H new ATOM 0 HA ALA A 45 0.078 15.925 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.769 14.288 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.124 13.656 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.088 13.103 5.349 1.00 0.00 H new ATOM 340 N PRO A 46 2.394 16.207 4.600 1.00 0.00 N ATOM 341 CA PRO A 46 3.425 16.731 3.721 1.00 0.00 C ATOM 342 C PRO A 46 4.276 15.600 3.139 1.00 0.00 C ATOM 343 O PRO A 46 4.733 14.722 3.870 1.00 0.00 O ATOM 344 CB PRO A 46 4.226 17.693 4.583 1.00 0.00 C ATOM 345 CG PRO A 46 3.908 17.325 6.023 1.00 0.00 C ATOM 346 CD PRO A 46 2.689 16.417 6.014 1.00 0.00 C ATOM 0 HA PRO A 46 3.015 17.244 2.851 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.293 17.601 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.951 18.727 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.757 16.820 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.712 18.221 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.894 15.474 6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.847 16.879 6.530 1.00 0.00 H new ATOM 354 N VAL A 47 4.463 15.657 1.828 1.00 0.00 N ATOM 355 CA VAL A 47 5.250 14.648 1.140 1.00 0.00 C ATOM 356 C VAL A 47 6.724 14.812 1.518 1.00 0.00 C ATOM 357 O VAL A 47 7.485 13.846 1.497 1.00 0.00 O ATOM 358 CB VAL A 47 5.007 14.734 -0.368 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.087 13.975 -1.142 1.00 0.00 C ATOM 360 CG2 VAL A 47 3.611 14.219 -0.728 1.00 0.00 C ATOM 0 H VAL A 47 4.083 16.386 1.225 1.00 0.00 H new ATOM 0 HA VAL A 47 4.944 13.648 1.449 1.00 0.00 H new ATOM 0 HB VAL A 47 5.063 15.783 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.890 14.052 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.064 14.405 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.077 12.926 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.463 14.291 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.516 13.179 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.859 14.820 -0.218 1.00 0.00 H new ATOM 370 N ASP A 48 7.082 16.043 1.855 1.00 0.00 N ATOM 371 CA ASP A 48 8.450 16.346 2.237 1.00 0.00 C ATOM 372 C ASP A 48 8.702 15.840 3.659 1.00 0.00 C ATOM 373 O ASP A 48 9.814 15.952 4.173 1.00 0.00 O ATOM 374 CB ASP A 48 8.706 17.854 2.219 1.00 0.00 C ATOM 375 CG ASP A 48 7.847 18.667 3.189 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.265 19.672 2.727 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.793 18.266 4.372 1.00 0.00 O ATOM 0 H ASP A 48 6.448 16.842 1.871 1.00 0.00 H new ATOM 0 HA ASP A 48 9.115 15.859 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.756 18.032 2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.535 18.224 1.208 1.00 0.00 H new ATOM 382 N SER A 49 7.652 15.295 4.253 1.00 0.00 N ATOM 383 CA SER A 49 7.745 14.772 5.606 1.00 0.00 C ATOM 384 C SER A 49 7.367 13.290 5.621 1.00 0.00 C ATOM 385 O SER A 49 6.611 12.847 6.484 1.00 0.00 O ATOM 386 CB SER A 49 6.847 15.558 6.563 1.00 0.00 C ATOM 387 OG SER A 49 7.335 15.524 7.902 1.00 0.00 O ATOM 0 H SER A 49 6.732 15.204 3.823 1.00 0.00 H new ATOM 0 HA SER A 49 8.775 14.881 5.945 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.779 16.593 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.838 15.146 6.534 1.00 0.00 H new ATOM 0 HG SER A 49 6.735 16.038 8.482 1.00 0.00 H new ATOM 393 N LEU A 50 7.911 12.564 4.655 1.00 0.00 N ATOM 394 CA LEU A 50 7.641 11.140 4.547 1.00 0.00 C ATOM 395 C LEU A 50 8.880 10.355 4.981 1.00 0.00 C ATOM 396 O LEU A 50 9.959 10.926 5.133 1.00 0.00 O ATOM 397 CB LEU A 50 7.156 10.793 3.138 1.00 0.00 C ATOM 398 CG LEU A 50 5.763 11.304 2.763 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.433 10.977 1.305 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.703 10.765 3.726 1.00 0.00 C ATOM 0 H LEU A 50 8.537 12.935 3.940 1.00 0.00 H new ATOM 0 HA LEU A 50 6.831 10.854 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.873 11.192 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.165 9.709 3.029 1.00 0.00 H new ATOM 0 HG LEU A 50 5.761 12.390 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.438 11.351 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.166 11.450 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.460 9.897 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.723 11.143 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.697 9.676 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.933 11.091 4.740 1.00 0.00 H new ATOM 412 N ARG A 51 8.685 9.058 5.169 1.00 0.00 N ATOM 413 CA ARG A 51 9.773 8.190 5.583 1.00 0.00 C ATOM 414 C ARG A 51 9.427 6.729 5.290 1.00 0.00 C ATOM 415 O ARG A 51 8.301 6.293 5.528 1.00 0.00 O ATOM 416 CB ARG A 51 10.066 8.347 7.076 1.00 0.00 C ATOM 417 CG ARG A 51 11.434 7.762 7.431 1.00 0.00 C ATOM 418 CD ARG A 51 12.510 8.849 7.441 1.00 0.00 C ATOM 419 NE ARG A 51 13.256 8.812 8.719 1.00 0.00 N ATOM 420 CZ ARG A 51 12.831 9.383 9.854 1.00 0.00 C ATOM 421 NH1 ARG A 51 11.662 10.038 9.877 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.573 9.299 10.966 1.00 0.00 N ATOM 0 H ARG A 51 7.789 8.588 5.042 1.00 0.00 H new ATOM 0 HA ARG A 51 10.660 8.478 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.037 9.402 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.291 7.847 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.386 7.284 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.700 6.988 6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.195 8.702 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.050 9.828 7.307 1.00 0.00 H new ATOM 0 HE ARG A 51 14.150 8.321 8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.096 10.102 9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.338 10.473 10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.462 8.800 10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.249 9.734 11.830 1.00 0.00 H new ATOM 436 N ILE A 52 10.415 6.011 4.776 1.00 0.00 N ATOM 437 CA ILE A 52 10.229 4.608 4.448 1.00 0.00 C ATOM 438 C ILE A 52 11.052 3.750 5.411 1.00 0.00 C ATOM 439 O ILE A 52 12.170 4.114 5.773 1.00 0.00 O ATOM 440 CB ILE A 52 10.550 4.356 2.973 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.600 5.139 2.064 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.540 2.858 2.658 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.504 4.489 0.682 1.00 0.00 C ATOM 0 H ILE A 52 11.347 6.375 4.579 1.00 0.00 H new ATOM 0 HA ILE A 52 9.185 4.322 4.577 1.00 0.00 H new ATOM 0 HB ILE A 52 11.558 4.720 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.610 5.184 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.951 6.166 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.771 2.706 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.287 2.353 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.554 2.447 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.823 5.065 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.491 4.468 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.130 3.470 0.784 1.00 0.00 H new ATOM 455 N GLY A 53 10.466 2.626 5.799 1.00 0.00 N ATOM 456 CA GLY A 53 11.131 1.713 6.713 1.00 0.00 C ATOM 457 C GLY A 53 10.967 0.263 6.256 1.00 0.00 C ATOM 458 O GLY A 53 10.243 -0.012 5.300 1.00 0.00 O ATOM 0 H GLY A 53 9.539 2.327 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.191 1.961 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.718 1.831 7.715 1.00 0.00 H new ATOM 462 N THR A 54 11.652 -0.627 6.959 1.00 0.00 N ATOM 463 CA THR A 54 11.591 -2.043 6.637 1.00 0.00 C ATOM 464 C THR A 54 11.076 -2.841 7.836 1.00 0.00 C ATOM 465 O THR A 54 11.510 -2.621 8.966 1.00 0.00 O ATOM 466 CB THR A 54 12.979 -2.481 6.167 1.00 0.00 C ATOM 467 OG1 THR A 54 13.295 -1.568 5.120 1.00 0.00 O ATOM 468 CG2 THR A 54 12.960 -3.847 5.477 1.00 0.00 C ATOM 0 H THR A 54 12.252 -0.395 7.750 1.00 0.00 H new ATOM 0 HA THR A 54 10.883 -2.235 5.831 1.00 0.00 H new ATOM 0 HB THR A 54 13.657 -2.515 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.181 -1.779 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.970 -4.110 5.163 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.588 -4.600 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.308 -3.805 4.604 1.00 0.00 H new ATOM 476 N ASP A 55 10.157 -3.752 7.550 1.00 0.00 N ATOM 477 CA ASP A 55 9.578 -4.584 8.591 1.00 0.00 C ATOM 478 C ASP A 55 10.314 -5.925 8.634 1.00 0.00 C ATOM 479 O ASP A 55 10.021 -6.823 7.846 1.00 0.00 O ATOM 480 CB ASP A 55 8.100 -4.864 8.313 1.00 0.00 C ATOM 481 CG ASP A 55 7.151 -4.528 9.465 1.00 0.00 C ATOM 482 OD1 ASP A 55 7.492 -3.600 10.229 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.105 -5.207 9.555 1.00 0.00 O ATOM 0 H ASP A 55 9.799 -3.932 6.612 1.00 0.00 H new ATOM 0 HA ASP A 55 9.672 -4.054 9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.797 -4.295 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.986 -5.919 8.064 1.00 0.00 H new ATOM 488 N ALA A 56 11.254 -6.018 9.562 1.00 0.00 N ATOM 489 CA ALA A 56 12.034 -7.234 9.718 1.00 0.00 C ATOM 490 C ALA A 56 11.111 -8.374 10.154 1.00 0.00 C ATOM 491 O ALA A 56 11.503 -9.540 10.127 1.00 0.00 O ATOM 492 CB ALA A 56 13.169 -6.989 10.714 1.00 0.00 C ATOM 0 H ALA A 56 11.494 -5.271 10.214 1.00 0.00 H new ATOM 0 HA ALA A 56 12.489 -7.522 8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.754 -7.901 10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.812 -6.191 10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.751 -6.700 11.678 1.00 0.00 H new ATOM 498 N GLU A 57 9.903 -7.998 10.546 1.00 0.00 N ATOM 499 CA GLU A 57 8.921 -8.974 10.988 1.00 0.00 C ATOM 500 C GLU A 57 8.582 -9.938 9.849 1.00 0.00 C ATOM 501 O GLU A 57 8.413 -11.135 10.074 1.00 0.00 O ATOM 502 CB GLU A 57 7.662 -8.284 11.516 1.00 0.00 C ATOM 503 CG GLU A 57 7.274 -8.830 12.891 1.00 0.00 C ATOM 504 CD GLU A 57 6.093 -8.053 13.477 1.00 0.00 C ATOM 505 OE1 GLU A 57 6.160 -7.746 14.686 1.00 0.00 O ATOM 506 OE2 GLU A 57 5.151 -7.783 12.701 1.00 0.00 O ATOM 0 H GLU A 57 9.581 -7.030 10.567 1.00 0.00 H new ATOM 0 HA GLU A 57 9.351 -9.549 11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.832 -7.209 11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.840 -8.434 10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.014 -9.885 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.127 -8.765 13.566 1.00 0.00 H new ATOM 513 N ALA A 58 8.494 -9.380 8.650 1.00 0.00 N ATOM 514 CA ALA A 58 8.178 -10.175 7.476 1.00 0.00 C ATOM 515 C ALA A 58 9.147 -9.817 6.347 1.00 0.00 C ATOM 516 O ALA A 58 8.958 -10.235 5.206 1.00 0.00 O ATOM 517 CB ALA A 58 6.717 -9.949 7.084 1.00 0.00 C ATOM 0 H ALA A 58 8.636 -8.387 8.467 1.00 0.00 H new ATOM 0 HA ALA A 58 8.297 -11.237 7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.480 -10.546 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.069 -10.246 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.559 -8.894 6.861 1.00 0.00 H new ATOM 523 N ARG A 59 10.163 -9.045 6.705 1.00 0.00 N ATOM 524 CA ARG A 59 11.161 -8.626 5.736 1.00 0.00 C ATOM 525 C ARG A 59 10.490 -7.943 4.544 1.00 0.00 C ATOM 526 O ARG A 59 10.736 -8.308 3.395 1.00 0.00 O ATOM 527 CB ARG A 59 11.980 -9.818 5.238 1.00 0.00 C ATOM 528 CG ARG A 59 13.271 -9.353 4.560 1.00 0.00 C ATOM 529 CD ARG A 59 13.607 -10.235 3.356 1.00 0.00 C ATOM 530 NE ARG A 59 15.075 -10.361 3.215 1.00 0.00 N ATOM 531 CZ ARG A 59 15.882 -9.360 2.838 1.00 0.00 C ATOM 532 NH1 ARG A 59 15.369 -8.154 2.561 1.00 0.00 N ATOM 533 NH2 ARG A 59 17.202 -9.565 2.737 1.00 0.00 N ATOM 0 H ARG A 59 10.316 -8.699 7.652 1.00 0.00 H new ATOM 0 HA ARG A 59 11.830 -7.923 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.221 -10.473 6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.387 -10.403 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.164 -8.317 4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.092 -9.381 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.159 -11.221 3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.182 -9.804 2.449 1.00 0.00 H new ATOM 0 HE ARG A 59 15.499 -11.266 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.364 -7.998 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.983 -7.392 2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.593 -10.483 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.816 -8.803 2.450 1.00 0.00 H new ATOM 547 N LEU A 60 9.654 -6.964 4.857 1.00 0.00 N ATOM 548 CA LEU A 60 8.945 -6.227 3.825 1.00 0.00 C ATOM 549 C LEU A 60 9.115 -4.726 4.068 1.00 0.00 C ATOM 550 O LEU A 60 9.459 -4.307 5.172 1.00 0.00 O ATOM 551 CB LEU A 60 7.484 -6.676 3.753 1.00 0.00 C ATOM 552 CG LEU A 60 7.250 -8.136 3.361 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.759 -8.480 3.393 1.00 0.00 C ATOM 554 CD2 LEU A 60 7.881 -8.446 2.002 1.00 0.00 C ATOM 0 H LEU A 60 9.452 -6.664 5.811 1.00 0.00 H new ATOM 0 HA LEU A 60 9.369 -6.442 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.023 -6.503 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.964 -6.040 3.036 1.00 0.00 H new ATOM 0 HG LEU A 60 7.743 -8.771 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.620 -9.524 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.371 -8.322 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.223 -7.840 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.700 -9.490 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.438 -7.804 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.955 -8.265 2.050 1.00 0.00 H new ATOM 566 N SER A 61 8.867 -3.957 3.018 1.00 0.00 N ATOM 567 CA SER A 61 8.989 -2.511 3.104 1.00 0.00 C ATOM 568 C SER A 61 7.711 -1.913 3.696 1.00 0.00 C ATOM 569 O SER A 61 6.614 -2.404 3.437 1.00 0.00 O ATOM 570 CB SER A 61 9.274 -1.900 1.730 1.00 0.00 C ATOM 571 OG SER A 61 10.098 -2.745 0.931 1.00 0.00 O ATOM 0 H SER A 61 8.582 -4.308 2.103 1.00 0.00 H new ATOM 0 HA SER A 61 9.829 -2.276 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.332 -1.717 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.761 -0.933 1.857 1.00 0.00 H new ATOM 0 HG SER A 61 10.256 -2.321 0.062 1.00 0.00 H new ATOM 577 N VAL A 62 7.897 -0.860 4.479 1.00 0.00 N ATOM 578 CA VAL A 62 6.773 -0.189 5.109 1.00 0.00 C ATOM 579 C VAL A 62 6.886 1.318 4.873 1.00 0.00 C ATOM 580 O VAL A 62 7.925 1.804 4.429 1.00 0.00 O ATOM 581 CB VAL A 62 6.708 -0.559 6.592 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.923 -1.856 6.800 1.00 0.00 C ATOM 583 CG2 VAL A 62 8.111 -0.664 7.193 1.00 0.00 C ATOM 0 H VAL A 62 8.809 -0.455 4.691 1.00 0.00 H new ATOM 0 HA VAL A 62 5.834 -0.517 4.664 1.00 0.00 H new ATOM 0 HB VAL A 62 6.180 0.239 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.892 -2.096 7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.907 -1.730 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.410 -2.667 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.036 -0.928 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.676 -1.433 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.622 0.294 7.094 1.00 0.00 H new ATOM 593 N LEU A 63 5.803 2.017 5.181 1.00 0.00 N ATOM 594 CA LEU A 63 5.768 3.459 5.009 1.00 0.00 C ATOM 595 C LEU A 63 5.439 4.121 6.348 1.00 0.00 C ATOM 596 O LEU A 63 4.631 3.604 7.118 1.00 0.00 O ATOM 597 CB LEU A 63 4.806 3.840 3.882 1.00 0.00 C ATOM 598 CG LEU A 63 4.337 5.296 3.865 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.280 5.544 4.944 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.521 6.256 3.991 1.00 0.00 C ATOM 0 H LEU A 63 4.943 1.611 5.549 1.00 0.00 H new ATOM 0 HA LEU A 63 6.746 3.830 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.290 3.624 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.928 3.197 3.947 1.00 0.00 H new ATOM 0 HG LEU A 63 3.866 5.492 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.963 6.586 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.420 4.898 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.703 5.324 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.159 7.284 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.043 6.069 4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.206 6.100 3.157 1.00 0.00 H new ATOM 612 N TYR A 64 6.083 5.254 6.586 1.00 0.00 N ATOM 613 CA TYR A 64 5.869 5.992 7.819 1.00 0.00 C ATOM 614 C TYR A 64 5.313 7.389 7.533 1.00 0.00 C ATOM 615 O TYR A 64 5.892 8.144 6.753 1.00 0.00 O ATOM 616 CB TYR A 64 7.246 6.129 8.472 1.00 0.00 C ATOM 617 CG TYR A 64 7.500 5.130 9.603 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.347 5.522 10.918 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.882 3.837 9.309 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.586 4.582 11.982 1.00 0.00 C ATOM 621 CE2 TYR A 64 8.121 2.897 10.373 1.00 0.00 C ATOM 622 CZ TYR A 64 7.961 3.316 11.657 1.00 0.00 C ATOM 623 OH TYR A 64 8.186 2.428 12.662 1.00 0.00 O ATOM 0 H TYR A 64 6.753 5.679 5.946 1.00 0.00 H new ATOM 0 HA TYR A 64 5.153 5.474 8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 64 8.013 6.001 7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.352 7.141 8.864 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.048 6.534 11.148 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.002 3.530 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.470 4.876 13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.421 1.882 10.156 1.00 0.00 H new ATOM 0 HH TYR A 64 8.446 1.563 12.282 1.00 0.00 H new ATOM 633 N ILE A 65 4.196 7.690 8.179 1.00 0.00 N ATOM 634 CA ILE A 65 3.555 8.982 8.004 1.00 0.00 C ATOM 635 C ILE A 65 2.850 9.376 9.303 1.00 0.00 C ATOM 636 O ILE A 65 1.900 8.717 9.723 1.00 0.00 O ATOM 637 CB ILE A 65 2.632 8.961 6.784 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.908 10.299 6.622 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.655 7.786 6.856 1.00 0.00 C ATOM 640 CD1 ILE A 65 1.037 10.302 5.364 1.00 0.00 C ATOM 0 H ILE A 65 3.718 7.061 8.825 1.00 0.00 H new ATOM 0 HA ILE A 65 4.298 9.752 7.798 1.00 0.00 H new ATOM 0 HB ILE A 65 3.245 8.816 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.288 10.490 7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.638 11.107 6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.011 7.794 5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.213 6.850 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.044 7.875 7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.533 11.264 5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.663 10.135 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.293 9.509 5.435 1.00 0.00 H new ATOM 652 N ASP A 66 3.341 10.450 9.903 1.00 0.00 N ATOM 653 CA ASP A 66 2.769 10.940 11.146 1.00 0.00 C ATOM 654 C ASP A 66 3.203 10.030 12.296 1.00 0.00 C ATOM 655 O ASP A 66 2.575 10.018 13.354 1.00 0.00 O ATOM 656 CB ASP A 66 1.241 10.935 11.089 1.00 0.00 C ATOM 657 CG ASP A 66 0.554 11.925 12.032 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.333 11.537 13.199 1.00 0.00 O ATOM 659 OD2 ASP A 66 0.267 13.048 11.564 1.00 0.00 O ATOM 0 H ASP A 66 4.129 10.995 9.552 1.00 0.00 H new ATOM 0 HA ASP A 66 3.120 11.960 11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.930 11.154 10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.887 9.930 11.321 1.00 0.00 H new ATOM 664 N GLY A 67 4.273 9.288 12.051 1.00 0.00 N ATOM 665 CA GLY A 67 4.798 8.377 13.053 1.00 0.00 C ATOM 666 C GLY A 67 3.970 7.092 13.113 1.00 0.00 C ATOM 667 O GLY A 67 3.758 6.535 14.189 1.00 0.00 O ATOM 0 H GLY A 67 4.791 9.299 11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.835 8.135 12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.794 8.862 14.029 1.00 0.00 H new ATOM 671 N LYS A 68 3.523 6.658 11.943 1.00 0.00 N ATOM 672 CA LYS A 68 2.722 5.450 11.849 1.00 0.00 C ATOM 673 C LYS A 68 3.530 4.362 11.137 1.00 0.00 C ATOM 674 O LYS A 68 4.611 4.628 10.615 1.00 0.00 O ATOM 675 CB LYS A 68 1.376 5.749 11.187 1.00 0.00 C ATOM 676 CG LYS A 68 1.500 5.734 9.662 1.00 0.00 C ATOM 677 CD LYS A 68 0.698 4.579 9.058 1.00 0.00 C ATOM 678 CE LYS A 68 -0.793 4.728 9.366 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.338 3.464 9.911 1.00 0.00 N ATOM 0 H LYS A 68 3.701 7.122 11.052 1.00 0.00 H new ATOM 0 HA LYS A 68 2.484 5.072 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.639 5.010 11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.013 6.723 11.516 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.144 6.681 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.549 5.640 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.849 4.552 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.062 3.632 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.943 5.535 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.332 5.003 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.279 3.638 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.415 2.762 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.703 3.103 10.651 1.00 0.00 H new ATOM 693 N ARG A 69 2.973 3.160 11.139 1.00 0.00 N ATOM 694 CA ARG A 69 3.627 2.031 10.499 1.00 0.00 C ATOM 695 C ARG A 69 2.586 1.087 9.894 1.00 0.00 C ATOM 696 O ARG A 69 1.870 0.400 10.619 1.00 0.00 O ATOM 697 CB ARG A 69 4.489 1.256 11.498 1.00 0.00 C ATOM 698 CG ARG A 69 5.607 0.495 10.783 1.00 0.00 C ATOM 699 CD ARG A 69 5.074 -0.787 10.141 1.00 0.00 C ATOM 700 NE ARG A 69 5.685 -1.969 10.790 1.00 0.00 N ATOM 701 CZ ARG A 69 5.166 -2.592 11.857 1.00 0.00 C ATOM 702 NH1 ARG A 69 4.024 -2.150 12.402 1.00 0.00 N ATOM 703 NH2 ARG A 69 5.788 -3.658 12.379 1.00 0.00 N ATOM 0 H ARG A 69 2.076 2.943 11.574 1.00 0.00 H new ATOM 0 HA ARG A 69 4.268 2.423 9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.920 1.946 12.224 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.866 0.556 12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.053 1.131 10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.396 0.249 11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.989 -0.828 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.299 -0.790 9.074 1.00 0.00 H new ATOM 0 HE ARG A 69 6.555 -2.332 10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.550 -1.339 12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.629 -2.624 13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.657 -3.995 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.393 -4.132 13.191 1.00 0.00 H new ATOM 717 N LEU A 70 2.536 1.085 8.570 1.00 0.00 N ATOM 718 CA LEU A 70 1.595 0.237 7.858 1.00 0.00 C ATOM 719 C LEU A 70 2.312 -0.448 6.693 1.00 0.00 C ATOM 720 O LEU A 70 3.457 -0.121 6.386 1.00 0.00 O ATOM 721 CB LEU A 70 0.363 1.040 7.436 1.00 0.00 C ATOM 722 CG LEU A 70 0.342 1.522 5.984 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.605 0.669 5.137 1.00 0.00 C ATOM 724 CD2 LEU A 70 -0.002 3.010 5.905 1.00 0.00 C ATOM 0 H LEU A 70 3.132 1.657 7.972 1.00 0.00 H new ATOM 0 HA LEU A 70 1.224 -0.552 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.522 0.427 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.280 1.910 8.088 1.00 0.00 H new ATOM 0 HG LEU A 70 1.343 1.401 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.601 1.033 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.274 -0.369 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.615 0.735 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.010 3.327 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.985 3.180 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.744 3.585 6.453 1.00 0.00 H new ATOM 736 N HIS A 71 1.608 -1.385 6.075 1.00 0.00 N ATOM 737 CA HIS A 71 2.163 -2.119 4.950 1.00 0.00 C ATOM 738 C HIS A 71 1.613 -1.546 3.643 1.00 0.00 C ATOM 739 O HIS A 71 0.422 -1.666 3.361 1.00 0.00 O ATOM 740 CB HIS A 71 1.901 -3.619 5.097 1.00 0.00 C ATOM 741 CG HIS A 71 2.914 -4.338 5.956 1.00 0.00 C ATOM 742 ND1 HIS A 71 3.974 -5.052 5.425 1.00 0.00 N ATOM 743 CD2 HIS A 71 3.017 -4.445 7.312 1.00 0.00 C ATOM 744 CE1 HIS A 71 4.677 -5.562 6.426 1.00 0.00 C ATOM 745 NE2 HIS A 71 4.082 -5.186 7.594 1.00 0.00 N ATOM 0 H HIS A 71 0.658 -1.653 6.332 1.00 0.00 H new ATOM 0 HA HIS A 71 3.246 -1.999 4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.909 -3.764 5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.891 -4.074 4.107 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.346 -4.002 8.033 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.565 -6.169 6.333 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.402 -5.433 8.530 1.00 0.00 H new ATOM 753 N ILE A 72 2.507 -0.936 2.879 1.00 0.00 N ATOM 754 CA ILE A 72 2.126 -0.345 1.607 1.00 0.00 C ATOM 755 C ILE A 72 2.778 -1.131 0.468 1.00 0.00 C ATOM 756 O ILE A 72 3.696 -1.916 0.697 1.00 0.00 O ATOM 757 CB ILE A 72 2.456 1.149 1.591 1.00 0.00 C ATOM 758 CG1 ILE A 72 3.968 1.377 1.645 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.725 1.885 2.716 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.380 2.542 0.743 1.00 0.00 C ATOM 0 H ILE A 72 3.494 -0.838 3.116 1.00 0.00 H new ATOM 0 HA ILE A 72 1.048 -0.412 1.464 1.00 0.00 H new ATOM 0 HB ILE A 72 2.100 1.567 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.272 1.582 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.487 0.471 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.977 2.945 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.649 1.764 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.027 1.471 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.459 2.682 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.097 2.323 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.878 3.452 1.072 1.00 0.00 H new ATOM 772 N SER A 73 2.278 -0.892 -0.735 1.00 0.00 N ATOM 773 CA SER A 73 2.800 -1.568 -1.911 1.00 0.00 C ATOM 774 C SER A 73 4.287 -1.250 -2.080 1.00 0.00 C ATOM 775 O SER A 73 4.733 -0.153 -1.745 1.00 0.00 O ATOM 776 CB SER A 73 2.025 -1.166 -3.167 1.00 0.00 C ATOM 777 OG SER A 73 1.351 -2.274 -3.756 1.00 0.00 O ATOM 0 H SER A 73 1.517 -0.239 -0.921 1.00 0.00 H new ATOM 0 HA SER A 73 2.678 -2.642 -1.770 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.299 -0.393 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.712 -0.732 -3.893 1.00 0.00 H new ATOM 0 HG SER A 73 0.867 -1.976 -4.554 1.00 0.00 H new ATOM 783 N GLU A 74 5.014 -2.229 -2.598 1.00 0.00 N ATOM 784 CA GLU A 74 6.441 -2.067 -2.816 1.00 0.00 C ATOM 785 C GLU A 74 6.698 -1.003 -3.885 1.00 0.00 C ATOM 786 O GLU A 74 7.392 -0.019 -3.633 1.00 0.00 O ATOM 787 CB GLU A 74 7.092 -3.398 -3.199 1.00 0.00 C ATOM 788 CG GLU A 74 8.091 -3.847 -2.131 1.00 0.00 C ATOM 789 CD GLU A 74 9.530 -3.590 -2.584 1.00 0.00 C ATOM 790 OE1 GLU A 74 10.249 -4.592 -2.785 1.00 0.00 O ATOM 791 OE2 GLU A 74 9.878 -2.397 -2.719 1.00 0.00 O ATOM 0 H GLU A 74 4.641 -3.138 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 74 6.895 -1.733 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.323 -4.160 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.601 -3.296 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.898 -3.314 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.955 -4.909 -1.924 1.00 0.00 H new ATOM 798 N GLU A 75 6.125 -1.237 -5.057 1.00 0.00 N ATOM 799 CA GLU A 75 6.283 -0.312 -6.165 1.00 0.00 C ATOM 800 C GLU A 75 5.898 1.105 -5.733 1.00 0.00 C ATOM 801 O GLU A 75 6.586 2.068 -6.068 1.00 0.00 O ATOM 802 CB GLU A 75 5.460 -0.759 -7.375 1.00 0.00 C ATOM 803 CG GLU A 75 3.962 -0.621 -7.100 1.00 0.00 C ATOM 804 CD GLU A 75 3.139 -1.358 -8.159 1.00 0.00 C ATOM 805 OE1 GLU A 75 3.179 -0.906 -9.324 1.00 0.00 O ATOM 806 OE2 GLU A 75 2.490 -2.356 -7.780 1.00 0.00 O ATOM 0 H GLU A 75 5.551 -2.054 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 75 7.332 -0.308 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.730 -0.160 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.695 -1.796 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.732 -1.021 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.686 0.434 -7.089 1.00 0.00 H new ATOM 813 N ASP A 76 4.799 1.186 -4.997 1.00 0.00 N ATOM 814 CA ASP A 76 4.314 2.468 -4.516 1.00 0.00 C ATOM 815 C ASP A 76 5.315 3.043 -3.511 1.00 0.00 C ATOM 816 O ASP A 76 5.613 4.236 -3.539 1.00 0.00 O ATOM 817 CB ASP A 76 2.967 2.317 -3.808 1.00 0.00 C ATOM 818 CG ASP A 76 1.806 3.073 -4.458 1.00 0.00 C ATOM 819 OD1 ASP A 76 2.073 3.769 -5.461 1.00 0.00 O ATOM 820 OD2 ASP A 76 0.678 2.936 -3.938 1.00 0.00 O ATOM 0 H ASP A 76 4.231 0.385 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 76 4.197 3.128 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.713 1.258 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.074 2.661 -2.779 1.00 0.00 H new ATOM 825 N ALA A 77 5.805 2.167 -2.646 1.00 0.00 N ATOM 826 CA ALA A 77 6.765 2.572 -1.634 1.00 0.00 C ATOM 827 C ALA A 77 7.983 3.200 -2.314 1.00 0.00 C ATOM 828 O ALA A 77 8.596 4.119 -1.773 1.00 0.00 O ATOM 829 CB ALA A 77 7.138 1.364 -0.771 1.00 0.00 C ATOM 0 H ALA A 77 5.555 1.178 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 77 6.332 3.324 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.858 1.668 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.243 0.973 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.578 0.590 -1.400 1.00 0.00 H new ATOM 835 N GLN A 78 8.296 2.681 -3.492 1.00 0.00 N ATOM 836 CA GLN A 78 9.429 3.180 -4.253 1.00 0.00 C ATOM 837 C GLN A 78 9.071 4.503 -4.932 1.00 0.00 C ATOM 838 O GLN A 78 9.897 5.412 -5.004 1.00 0.00 O ATOM 839 CB GLN A 78 9.899 2.146 -5.278 1.00 0.00 C ATOM 840 CG GLN A 78 11.360 2.383 -5.665 1.00 0.00 C ATOM 841 CD GLN A 78 11.498 2.614 -7.172 1.00 0.00 C ATOM 842 OE1 GLN A 78 10.846 3.685 -7.616 1.00 0.00 O flip ATOM 843 NE2 GLN A 78 12.152 1.869 -7.883 1.00 0.00 N flip ATOM 0 H GLN A 78 7.785 1.920 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 78 10.254 3.360 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.786 1.143 -4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.270 2.198 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.748 3.246 -5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.962 1.524 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.628 1.064 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.223 2.051 -8.884 1.00 0.00 H new ATOM 852 N ARG A 79 7.839 4.569 -5.415 1.00 0.00 N ATOM 853 CA ARG A 79 7.362 5.766 -6.086 1.00 0.00 C ATOM 854 C ARG A 79 7.233 6.919 -5.089 1.00 0.00 C ATOM 855 O ARG A 79 7.420 8.080 -5.449 1.00 0.00 O ATOM 856 CB ARG A 79 6.005 5.521 -6.750 1.00 0.00 C ATOM 857 CG ARG A 79 6.110 5.636 -8.272 1.00 0.00 C ATOM 858 CD ARG A 79 4.727 5.789 -8.907 1.00 0.00 C ATOM 859 NE ARG A 79 4.294 4.502 -9.495 1.00 0.00 N ATOM 860 CZ ARG A 79 3.146 4.329 -10.163 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.307 5.361 -10.331 1.00 0.00 N ATOM 862 NH2 ARG A 79 2.836 3.125 -10.663 1.00 0.00 N ATOM 0 H ARG A 79 7.157 3.813 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 79 8.089 6.027 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.638 4.530 -6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.278 6.242 -6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.731 6.493 -8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.603 4.751 -8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.007 6.115 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.755 6.559 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 79 4.909 3.696 -9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.543 6.277 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.433 5.230 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.474 2.340 -10.535 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.962 2.994 -11.172 1.00 0.00 H new ATOM 876 N LEU A 80 6.914 6.558 -3.854 1.00 0.00 N ATOM 877 CA LEU A 80 6.758 7.548 -2.802 1.00 0.00 C ATOM 878 C LEU A 80 8.080 8.293 -2.609 1.00 0.00 C ATOM 879 O LEU A 80 8.107 9.523 -2.591 1.00 0.00 O ATOM 880 CB LEU A 80 6.229 6.893 -1.524 1.00 0.00 C ATOM 881 CG LEU A 80 4.888 7.417 -1.008 1.00 0.00 C ATOM 882 CD1 LEU A 80 4.501 6.734 0.305 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.908 8.942 -0.876 1.00 0.00 C ATOM 0 H LEU A 80 6.759 5.594 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 80 6.012 8.290 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.134 5.822 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.974 7.022 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 80 4.120 7.167 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.544 7.125 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.418 5.659 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.265 6.931 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.942 9.288 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.690 9.236 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.106 9.389 -1.850 1.00 0.00 H new ATOM 895 N VAL A 81 9.145 7.518 -2.470 1.00 0.00 N ATOM 896 CA VAL A 81 10.468 8.089 -2.279 1.00 0.00 C ATOM 897 C VAL A 81 10.812 8.977 -3.476 1.00 0.00 C ATOM 898 O VAL A 81 11.171 10.142 -3.307 1.00 0.00 O ATOM 899 CB VAL A 81 11.491 6.975 -2.047 1.00 0.00 C ATOM 900 CG1 VAL A 81 12.887 7.412 -2.493 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.496 6.532 -0.583 1.00 0.00 C ATOM 0 H VAL A 81 9.119 6.498 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 81 10.487 8.719 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 81 11.198 6.119 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.595 6.602 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.870 7.655 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.192 8.291 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.232 5.740 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.752 7.380 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.508 6.161 -0.312 1.00 0.00 H new ATOM 911 N VAL A 82 10.691 8.394 -4.660 1.00 0.00 N ATOM 912 CA VAL A 82 10.986 9.118 -5.885 1.00 0.00 C ATOM 913 C VAL A 82 10.222 10.444 -5.884 1.00 0.00 C ATOM 914 O VAL A 82 10.719 11.451 -6.387 1.00 0.00 O ATOM 915 CB VAL A 82 10.665 8.244 -7.099 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.650 9.075 -8.384 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.651 7.079 -7.211 1.00 0.00 C ATOM 0 H VAL A 82 10.393 7.428 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 82 12.048 9.354 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 82 9.668 7.827 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.419 8.430 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.892 9.854 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.628 9.533 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.401 6.473 -8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.663 7.468 -7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.592 6.465 -6.313 1.00 0.00 H new ATOM 927 N ALA A 83 9.026 10.401 -5.315 1.00 0.00 N ATOM 928 CA ALA A 83 8.189 11.586 -5.242 1.00 0.00 C ATOM 929 C ALA A 83 8.876 12.638 -4.369 1.00 0.00 C ATOM 930 O ALA A 83 8.649 13.835 -4.538 1.00 0.00 O ATOM 931 CB ALA A 83 6.806 11.203 -4.714 1.00 0.00 C ATOM 0 H ALA A 83 8.617 9.564 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 83 8.051 12.019 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.178 12.092 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.348 10.477 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.904 10.767 -3.720 1.00 0.00 H new ATOM 937 N GLY A 84 9.703 12.153 -3.455 1.00 0.00 N ATOM 938 CA GLY A 84 10.425 13.037 -2.555 1.00 0.00 C ATOM 939 C GLY A 84 10.494 12.446 -1.145 1.00 0.00 C ATOM 940 O GLY A 84 11.235 12.940 -0.297 1.00 0.00 O ATOM 0 H GLY A 84 9.889 11.160 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.434 13.203 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.933 14.009 -2.522 1.00 0.00 H new ATOM 944 N ALA A 85 9.712 11.396 -0.939 1.00 0.00 N ATOM 945 CA ALA A 85 9.675 10.733 0.353 1.00 0.00 C ATOM 946 C ALA A 85 11.072 10.210 0.693 1.00 0.00 C ATOM 947 O ALA A 85 11.852 9.887 -0.201 1.00 0.00 O ATOM 948 CB ALA A 85 8.626 9.619 0.326 1.00 0.00 C ATOM 0 H ALA A 85 9.099 10.988 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 85 9.386 11.434 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.598 9.122 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.647 10.046 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.884 8.894 -0.446 1.00 0.00 H new ATOM 954 N GLU A 86 11.345 10.142 1.988 1.00 0.00 N ATOM 955 CA GLU A 86 12.635 9.663 2.457 1.00 0.00 C ATOM 956 C GLU A 86 12.813 8.185 2.102 1.00 0.00 C ATOM 957 O GLU A 86 11.833 7.461 1.932 1.00 0.00 O ATOM 958 CB GLU A 86 12.789 9.888 3.962 1.00 0.00 C ATOM 959 CG GLU A 86 14.079 10.648 4.274 1.00 0.00 C ATOM 960 CD GLU A 86 14.085 12.020 3.597 1.00 0.00 C ATOM 961 OE1 GLU A 86 14.755 12.133 2.548 1.00 0.00 O ATOM 962 OE2 GLU A 86 13.418 12.925 4.144 1.00 0.00 O ATOM 0 H GLU A 86 10.695 10.410 2.727 1.00 0.00 H new ATOM 0 HA GLU A 86 13.417 10.234 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.933 10.448 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.795 8.928 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.181 10.770 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.938 10.068 3.936 1.00 0.00 H new ATOM 969 N ASP A 87 14.071 7.782 2.001 1.00 0.00 N ATOM 970 CA ASP A 87 14.391 6.404 1.669 1.00 0.00 C ATOM 971 C ASP A 87 15.397 5.860 2.685 1.00 0.00 C ATOM 972 O ASP A 87 16.542 6.307 2.731 1.00 0.00 O ATOM 973 CB ASP A 87 15.021 6.304 0.279 1.00 0.00 C ATOM 974 CG ASP A 87 14.647 5.049 -0.512 1.00 0.00 C ATOM 975 OD1 ASP A 87 15.584 4.401 -1.026 1.00 0.00 O ATOM 976 OD2 ASP A 87 13.431 4.766 -0.585 1.00 0.00 O ATOM 0 H ASP A 87 14.881 8.386 2.143 1.00 0.00 H new ATOM 0 HA ASP A 87 13.465 5.829 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.729 7.180 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.105 6.339 0.385 1.00 0.00 H new ATOM 981 N GLN A 88 14.933 4.902 3.475 1.00 0.00 N ATOM 982 CA GLN A 88 15.779 4.293 4.487 1.00 0.00 C ATOM 983 C GLN A 88 15.840 2.777 4.285 1.00 0.00 C ATOM 984 O GLN A 88 16.651 2.096 4.911 1.00 0.00 O ATOM 985 CB GLN A 88 15.286 4.639 5.894 1.00 0.00 C ATOM 986 CG GLN A 88 14.880 6.111 5.986 1.00 0.00 C ATOM 987 CD GLN A 88 16.002 7.021 5.483 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.156 6.635 5.391 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.601 8.249 5.165 1.00 0.00 N ATOM 0 H GLN A 88 13.983 4.533 3.434 1.00 0.00 H new ATOM 0 HA GLN A 88 16.787 4.695 4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.436 4.007 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.071 4.428 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.978 6.281 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.639 6.362 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.619 8.507 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.275 8.932 4.820 1.00 0.00 H new ATOM 998 N ARG A 89 14.972 2.294 3.409 1.00 0.00 N ATOM 999 CA ARG A 89 14.917 0.872 3.116 1.00 0.00 C ATOM 1000 C ARG A 89 16.326 0.323 2.883 1.00 0.00 C ATOM 1001 O ARG A 89 16.675 -0.741 3.393 1.00 0.00 O ATOM 1002 CB ARG A 89 14.059 0.596 1.880 1.00 0.00 C ATOM 1003 CG ARG A 89 12.883 -0.321 2.222 1.00 0.00 C ATOM 1004 CD ARG A 89 13.047 -1.692 1.562 1.00 0.00 C ATOM 1005 NE ARG A 89 14.146 -2.439 2.214 1.00 0.00 N ATOM 1006 CZ ARG A 89 14.378 -3.746 2.031 1.00 0.00 C ATOM 1007 NH1 ARG A 89 13.589 -4.459 1.215 1.00 0.00 N ATOM 1008 NH2 ARG A 89 15.399 -4.341 2.664 1.00 0.00 N ATOM 0 H ARG A 89 14.301 2.862 2.892 1.00 0.00 H new ATOM 0 HA ARG A 89 14.467 0.374 3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.685 1.536 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.670 0.135 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.812 -0.440 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.951 0.137 1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.117 -2.256 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.259 -1.570 0.500 1.00 0.00 H new ATOM 0 HE ARG A 89 14.766 -1.927 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.812 -4.007 0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.766 -5.454 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.999 -3.799 3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.575 -5.336 2.524 1.00 0.00 H new ATOM 1022 N ARG A 90 17.099 1.074 2.111 1.00 0.00 N ATOM 1023 CA ARG A 90 18.462 0.676 1.804 1.00 0.00 C ATOM 1024 C ARG A 90 19.056 1.596 0.736 1.00 0.00 C ATOM 1025 O ARG A 90 20.014 2.321 0.998 1.00 0.00 O ATOM 1026 CB ARG A 90 18.516 -0.770 1.308 1.00 0.00 C ATOM 1027 CG ARG A 90 19.566 -1.575 2.077 1.00 0.00 C ATOM 1028 CD ARG A 90 20.874 -1.664 1.288 1.00 0.00 C ATOM 1029 NE ARG A 90 21.819 -2.572 1.976 1.00 0.00 N ATOM 1030 CZ ARG A 90 22.632 -2.196 2.972 1.00 0.00 C ATOM 1031 NH1 ARG A 90 22.621 -0.927 3.403 1.00 0.00 N ATOM 1032 NH2 ARG A 90 23.457 -3.088 3.537 1.00 0.00 N ATOM 0 H ARG A 90 16.807 1.956 1.689 1.00 0.00 H new ATOM 0 HA ARG A 90 19.044 0.755 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 90 17.537 -1.235 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.749 -0.785 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.751 -1.108 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.188 -2.578 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.676 -2.028 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 90 21.316 -0.673 1.188 1.00 0.00 H new ATOM 0 HE ARG A 90 21.853 -3.545 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 90 21.994 -0.248 2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.240 -0.641 4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 90 23.466 -4.054 3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 90 24.076 -2.801 4.295 1.00 0.00 H new ATOM 1046 N HIS A 91 18.461 1.537 -0.447 1.00 0.00 N ATOM 1047 CA HIS A 91 18.919 2.357 -1.556 1.00 0.00 C ATOM 1048 C HIS A 91 17.908 2.281 -2.702 1.00 0.00 C ATOM 1049 O HIS A 91 16.958 1.502 -2.645 1.00 0.00 O ATOM 1050 CB HIS A 91 20.331 1.952 -1.984 1.00 0.00 C ATOM 1051 CG HIS A 91 21.199 3.111 -2.414 1.00 0.00 C ATOM 1052 ND1 HIS A 91 21.843 3.151 -3.639 1.00 0.00 N ATOM 1053 CD2 HIS A 91 21.520 4.270 -1.772 1.00 0.00 C ATOM 1054 CE1 HIS A 91 22.519 4.287 -3.718 1.00 0.00 C ATOM 1055 NE2 HIS A 91 22.319 4.979 -2.560 1.00 0.00 N ATOM 0 H HIS A 91 17.666 0.934 -0.661 1.00 0.00 H new ATOM 0 HA HIS A 91 18.982 3.399 -1.241 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.816 1.436 -1.156 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.260 1.240 -2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 91 21.182 4.562 -0.789 1.00 0.00 H new ATOM 0 HE1 HIS A 91 23.123 4.609 -4.553 1.00 0.00 H new ATOM 0 HE2 HIS A 91 22.718 5.891 -2.336 1.00 0.00 H new ATOM 1063 N LEU A 92 18.147 3.101 -3.715 1.00 0.00 N ATOM 1064 CA LEU A 92 17.269 3.137 -4.872 1.00 0.00 C ATOM 1065 C LEU A 92 17.925 3.965 -5.979 1.00 0.00 C ATOM 1066 O LEU A 92 18.976 4.567 -5.768 1.00 0.00 O ATOM 1067 CB LEU A 92 15.878 3.634 -4.474 1.00 0.00 C ATOM 1068 CG LEU A 92 15.717 5.150 -4.352 1.00 0.00 C ATOM 1069 CD1 LEU A 92 16.911 5.772 -3.625 1.00 0.00 C ATOM 1070 CD2 LEU A 92 15.485 5.789 -5.723 1.00 0.00 C ATOM 0 H LEU A 92 18.936 3.746 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 92 17.121 2.133 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.160 3.270 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.612 3.182 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 92 14.832 5.352 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.771 6.850 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.989 5.348 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.825 5.562 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.374 6.867 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.336 5.579 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.580 5.376 -6.168 1.00 0.00 H new ATOM 1082 N MET A 93 17.276 3.968 -7.134 1.00 0.00 N ATOM 1083 CA MET A 93 17.783 4.713 -8.275 1.00 0.00 C ATOM 1084 C MET A 93 16.871 4.541 -9.491 1.00 0.00 C ATOM 1085 O MET A 93 16.678 3.426 -9.974 1.00 0.00 O ATOM 1086 CB MET A 93 19.191 4.223 -8.619 1.00 0.00 C ATOM 1087 CG MET A 93 20.234 5.305 -8.329 1.00 0.00 C ATOM 1088 SD MET A 93 21.606 5.149 -9.460 1.00 0.00 S ATOM 1089 CE MET A 93 22.805 6.185 -8.638 1.00 0.00 C ATOM 0 H MET A 93 16.404 3.467 -7.305 1.00 0.00 H new ATOM 0 HA MET A 93 17.811 5.770 -8.012 1.00 0.00 H new ATOM 0 HB2 MET A 93 19.420 3.328 -8.041 1.00 0.00 H new ATOM 0 HB3 MET A 93 19.235 3.943 -9.671 1.00 0.00 H new ATOM 0 HG2 MET A 93 19.782 6.292 -8.426 1.00 0.00 H new ATOM 0 HG3 MET A 93 20.587 5.216 -7.302 1.00 0.00 H new ATOM 0 HE1 MET A 93 23.730 6.200 -9.215 1.00 0.00 H new ATOM 0 HE2 MET A 93 22.413 7.199 -8.554 1.00 0.00 H new ATOM 0 HE3 MET A 93 23.005 5.790 -7.642 1.00 0.00 H new ATOM 1099 N ALA A 94 16.334 5.661 -9.951 1.00 0.00 N ATOM 1100 CA ALA A 94 15.447 5.648 -11.102 1.00 0.00 C ATOM 1101 C ALA A 94 16.263 5.374 -12.366 1.00 0.00 C ATOM 1102 O ALA A 94 17.306 5.989 -12.582 1.00 0.00 O ATOM 1103 CB ALA A 94 14.687 6.974 -11.175 1.00 0.00 C ATOM 0 H ALA A 94 16.496 6.584 -9.548 1.00 0.00 H new ATOM 0 HA ALA A 94 14.708 4.853 -11.008 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.021 6.965 -12.038 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.101 7.108 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.397 7.795 -11.273 1.00 0.00 H new ATOM 1109 N ASP A 95 15.758 4.449 -13.169 1.00 0.00 N ATOM 1110 CA ASP A 95 16.427 4.085 -14.407 1.00 0.00 C ATOM 1111 C ASP A 95 16.437 5.290 -15.349 1.00 0.00 C ATOM 1112 O ASP A 95 15.429 5.593 -15.986 1.00 0.00 O ATOM 1113 CB ASP A 95 15.697 2.940 -15.111 1.00 0.00 C ATOM 1114 CG ASP A 95 16.559 2.116 -16.069 1.00 0.00 C ATOM 1115 OD1 ASP A 95 16.265 2.165 -17.283 1.00 0.00 O ATOM 1116 OD2 ASP A 95 17.493 1.455 -15.566 1.00 0.00 O ATOM 0 H ASP A 95 14.893 3.940 -12.986 1.00 0.00 H new ATOM 0 HA ASP A 95 17.441 3.769 -14.163 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.283 2.274 -14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.856 3.353 -15.667 1.00 0.00 H new ATOM 1121 N ASP A 96 17.587 5.945 -15.408 1.00 0.00 N ATOM 1122 CA ASP A 96 17.742 7.111 -16.262 1.00 0.00 C ATOM 1123 C ASP A 96 19.032 6.975 -17.073 1.00 0.00 C ATOM 1124 O ASP A 96 20.128 7.041 -16.519 1.00 0.00 O ATOM 1125 CB ASP A 96 17.837 8.393 -15.432 1.00 0.00 C ATOM 1126 CG ASP A 96 18.731 8.297 -14.194 1.00 0.00 C ATOM 1127 OD1 ASP A 96 19.490 7.307 -14.118 1.00 0.00 O ATOM 1128 OD2 ASP A 96 18.635 9.216 -13.352 1.00 0.00 O ATOM 0 H ASP A 96 18.421 5.691 -14.878 1.00 0.00 H new ATOM 0 HA ASP A 96 16.872 7.169 -16.916 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.210 9.194 -16.070 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.834 8.678 -15.116 1.00 0.00 H new TER 1133 ASP A 96