USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 819 GLN : amide:sc= -1.08 K(o=-4.4,f=-3) USER MOD Set 1.2: A 850 ASN : amide:sc= -3.31! C(o=-4.4!,f=-4!) USER MOD Set 2.1: A 835 ASN : amide:sc= -0.046 K(o=-1.5,f=-5.9!) USER MOD Set 2.2: A 838 LYS NZ :NH3+ 149:sc= -1.45 (180deg=-3.46!) USER MOD Set 3.1: A 805 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 806 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 778 SER OG : rot -38:sc= 0.243 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 LYS NZ :NH3+ 167:sc= -0.0378 (180deg=-0.269) USER MOD Single : A 790 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.14) USER MOD Single : A 796 MET CE :methyl 145:sc= -0.188 (180deg=-0.937) USER MOD Single : A 799 ASN : amide:sc= -3.28! K(o=-3.3!,f=-0.24) USER MOD Single : A 800 SER OG : rot 75:sc= 0.322 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot -9:sc= 0.856 USER MOD Single : A 804 ASN : amide:sc= -2.46 K(o=-2.5,f=-0.13) USER MOD Single : A 807 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.2) USER MOD Single : A 808 ASN : amide:sc= -0.177 K(o=-0.18,f=-5.4!) USER MOD Single : A 809 ASN : amide:sc= -4.16! C(o=-4.2!,f=-2.6!) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 165:sc= -0.0666 USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 840 MET CE :methyl 147:sc= -3.84! (180deg=-6.57!) USER MOD Single : A 844 ASN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 845 ASN : amide:sc= 1.05 K(o=1,f=-0.55) USER MOD Single : A 847 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.12) USER MOD Single : A 854 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -7.954 -11.955 2.323 1.00 2.40 N ATOM 2 CA SER A 778 -6.603 -11.924 1.720 1.00 2.10 C ATOM 3 C SER A 778 -6.667 -11.472 0.266 1.00 1.16 C ATOM 4 O SER A 778 -5.885 -11.923 -0.572 1.00 1.09 O ATOM 5 CB SER A 778 -5.999 -13.326 1.831 1.00 2.58 C ATOM 6 OG SER A 778 -6.896 -14.308 1.336 1.00 3.17 O ATOM 0 HA SER A 778 -5.976 -11.207 2.251 1.00 2.10 H new ATOM 0 HB2 SER A 778 -5.064 -13.368 1.272 1.00 2.58 H new ATOM 0 HB3 SER A 778 -5.758 -13.540 2.872 1.00 2.58 H new ATOM 0 HG SER A 778 -7.813 -14.067 1.582 1.00 3.17 H new ATOM 14 N GLU A 779 -7.555 -10.526 -0.014 1.00 0.78 N ATOM 15 CA GLU A 779 -7.672 -9.961 -1.350 1.00 0.85 C ATOM 16 C GLU A 779 -6.419 -9.179 -1.700 1.00 0.75 C ATOM 17 O GLU A 779 -5.952 -8.350 -0.915 1.00 1.17 O ATOM 18 CB GLU A 779 -8.912 -9.060 -1.474 1.00 1.60 C ATOM 19 CG GLU A 779 -9.296 -8.338 -0.190 1.00 1.95 C ATOM 20 CD GLU A 779 -10.039 -9.239 0.774 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.229 -9.528 0.529 1.00 3.25 O ATOM 22 OE2 GLU A 779 -9.453 -9.615 1.809 1.00 2.92 O ATOM 0 H GLU A 779 -8.205 -10.134 0.668 1.00 0.78 H new ATOM 0 HA GLU A 779 -7.787 -10.786 -2.053 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -8.731 -8.319 -2.253 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -9.756 -9.667 -1.801 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.396 -7.956 0.293 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -9.918 -7.476 -0.432 1.00 1.95 H new ATOM 29 N ILE A 780 -5.833 -9.513 -2.836 1.00 0.62 N ATOM 30 CA ILE A 780 -4.601 -8.882 -3.266 1.00 0.43 C ATOM 31 C ILE A 780 -4.895 -7.679 -4.158 1.00 0.37 C ATOM 32 O ILE A 780 -5.824 -7.687 -4.970 1.00 0.49 O ATOM 33 CB ILE A 780 -3.662 -9.884 -3.990 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.330 -9.221 -4.377 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.340 -10.473 -5.219 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.482 -8.787 -3.194 1.00 0.51 C ATOM 0 H ILE A 780 -6.193 -10.220 -3.478 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.082 -8.535 -2.372 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.446 -10.694 -3.294 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.754 -9.918 -4.986 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.538 -8.350 -4.999 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.662 -11.172 -5.709 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.247 -10.998 -4.918 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.598 -9.672 -5.912 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.561 -8.329 -3.555 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.036 -8.064 -2.595 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.240 -9.656 -2.582 1.00 0.51 H new ATOM 48 N PHE A 781 -4.152 -6.625 -3.927 1.00 0.28 N ATOM 49 CA PHE A 781 -4.299 -5.381 -4.650 1.00 0.26 C ATOM 50 C PHE A 781 -2.935 -4.971 -5.170 1.00 0.22 C ATOM 51 O PHE A 781 -1.923 -5.326 -4.575 1.00 0.21 O ATOM 52 CB PHE A 781 -4.896 -4.301 -3.741 1.00 0.29 C ATOM 53 CG PHE A 781 -5.134 -2.988 -4.433 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.697 -2.955 -5.696 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.804 -1.791 -3.819 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.929 -1.756 -6.334 1.00 0.50 C ATOM 57 CE2 PHE A 781 -5.037 -0.587 -4.454 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.546 -0.559 -5.707 1.00 0.52 C ATOM 0 H PHE A 781 -3.416 -6.605 -3.221 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.983 -5.510 -5.489 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.840 -4.663 -3.334 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.226 -4.140 -2.896 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.958 -3.880 -6.188 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.360 -1.799 -2.834 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.400 -1.737 -7.306 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.811 0.339 -3.946 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.658 0.382 -6.224 1.00 0.52 H new ATOM 68 N THR A 782 -2.896 -4.336 -6.324 1.00 0.23 N ATOM 69 CA THR A 782 -1.631 -4.002 -6.947 1.00 0.23 C ATOM 70 C THR A 782 -1.597 -2.513 -7.228 1.00 0.23 C ATOM 71 O THR A 782 -2.605 -1.917 -7.619 1.00 0.25 O ATOM 72 CB THR A 782 -1.418 -4.777 -8.271 1.00 0.29 C ATOM 73 OG1 THR A 782 -2.445 -4.439 -9.215 1.00 1.39 O ATOM 74 CG2 THR A 782 -1.429 -6.278 -8.037 1.00 1.34 C ATOM 0 H THR A 782 -3.721 -4.042 -6.847 1.00 0.23 H new ATOM 0 HA THR A 782 -0.831 -4.284 -6.262 1.00 0.23 H new ATOM 0 HB THR A 782 -0.444 -4.492 -8.669 1.00 0.29 H new ATOM 0 HG1 THR A 782 -2.299 -4.934 -10.048 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.277 -6.795 -8.984 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.629 -6.544 -7.346 1.00 1.34 H new ATOM 0 HG23 THR A 782 -2.389 -6.573 -7.612 1.00 1.34 H new ATOM 82 N LEU A 783 -0.518 -1.899 -6.789 1.00 0.22 N ATOM 83 CA LEU A 783 -0.411 -0.457 -6.764 1.00 0.21 C ATOM 84 C LEU A 783 1.042 -0.054 -6.949 1.00 0.21 C ATOM 85 O LEU A 783 1.943 -0.746 -6.496 1.00 0.23 O ATOM 86 CB LEU A 783 -0.951 0.070 -5.427 1.00 0.26 C ATOM 87 CG LEU A 783 -1.051 1.589 -5.295 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.018 2.157 -6.322 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.490 1.956 -3.886 1.00 0.61 C ATOM 0 H LEU A 783 0.308 -2.386 -6.440 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.999 -0.027 -7.575 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.942 -0.354 -5.266 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.311 -0.303 -4.627 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.069 2.023 -5.483 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.074 3.240 -6.210 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.668 1.914 -7.325 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -3.007 1.725 -6.168 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.560 3.040 -3.797 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.464 1.512 -3.681 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.761 1.579 -3.168 1.00 0.61 H new ATOM 101 N LEU A 784 1.281 1.061 -7.601 1.00 0.20 N ATOM 102 CA LEU A 784 2.643 1.528 -7.774 1.00 0.22 C ATOM 103 C LEU A 784 2.736 2.952 -7.284 1.00 0.21 C ATOM 104 O LEU A 784 1.905 3.793 -7.621 1.00 0.23 O ATOM 105 CB LEU A 784 3.104 1.425 -9.232 1.00 0.29 C ATOM 106 CG LEU A 784 3.311 -0.001 -9.763 1.00 0.91 C ATOM 107 CD1 LEU A 784 1.991 -0.613 -10.207 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.313 -0.006 -10.909 1.00 1.45 C ATOM 0 H LEU A 784 0.564 1.656 -8.016 1.00 0.20 H new ATOM 0 HA LEU A 784 3.307 0.890 -7.190 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.369 1.925 -9.863 1.00 0.29 H new ATOM 0 HB3 LEU A 784 4.041 1.972 -9.338 1.00 0.29 H new ATOM 0 HG LEU A 784 3.711 -0.608 -8.951 1.00 0.91 H new ATOM 0 HD11 LEU A 784 2.165 -1.623 -10.579 1.00 1.53 H new ATOM 0 HD12 LEU A 784 1.305 -0.651 -9.361 1.00 1.53 H new ATOM 0 HD13 LEU A 784 1.556 -0.004 -11.000 1.00 1.53 H new ATOM 0 HD21 LEU A 784 4.446 -1.025 -11.272 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.942 0.622 -11.719 1.00 1.45 H new ATOM 0 HD23 LEU A 784 5.269 0.382 -10.558 1.00 1.45 H new ATOM 120 N VAL A 785 3.587 3.129 -6.286 1.00 0.22 N ATOM 121 CA VAL A 785 3.638 4.365 -5.527 1.00 0.25 C ATOM 122 C VAL A 785 4.017 5.550 -6.408 1.00 0.34 C ATOM 123 O VAL A 785 3.441 6.630 -6.276 1.00 0.79 O ATOM 124 CB VAL A 785 4.598 4.232 -4.331 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.503 5.437 -3.413 1.00 0.95 C ATOM 126 CG2 VAL A 785 4.299 2.952 -3.570 1.00 1.10 C ATOM 0 H VAL A 785 4.258 2.423 -5.982 1.00 0.22 H new ATOM 0 HA VAL A 785 2.637 4.557 -5.140 1.00 0.25 H new ATOM 0 HB VAL A 785 5.619 4.189 -4.711 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.193 5.314 -2.578 1.00 0.95 H new ATOM 0 HG12 VAL A 785 4.763 6.339 -3.968 1.00 0.95 H new ATOM 0 HG13 VAL A 785 3.485 5.525 -3.033 1.00 0.95 H new ATOM 0 HG21 VAL A 785 4.982 2.863 -2.725 1.00 1.10 H new ATOM 0 HG22 VAL A 785 3.272 2.977 -3.206 1.00 1.10 H new ATOM 0 HG23 VAL A 785 4.429 2.096 -4.232 1.00 1.10 H new ATOM 136 N GLU A 786 4.898 5.299 -7.376 1.00 0.69 N ATOM 137 CA GLU A 786 5.303 6.297 -8.374 1.00 0.81 C ATOM 138 C GLU A 786 6.141 7.411 -7.752 1.00 0.87 C ATOM 139 O GLU A 786 7.318 7.561 -8.075 1.00 1.56 O ATOM 140 CB GLU A 786 4.077 6.881 -9.085 1.00 0.99 C ATOM 141 CG GLU A 786 4.419 7.899 -10.157 1.00 1.51 C ATOM 142 CD GLU A 786 5.509 7.408 -11.088 1.00 2.26 C ATOM 143 OE1 GLU A 786 5.360 6.303 -11.652 1.00 3.06 O ATOM 144 OE2 GLU A 786 6.513 8.123 -11.260 1.00 2.59 O ATOM 0 H GLU A 786 5.355 4.395 -7.493 1.00 0.69 H new ATOM 0 HA GLU A 786 5.925 5.788 -9.110 1.00 0.81 H new ATOM 0 HB2 GLU A 786 3.509 6.068 -9.537 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.428 7.350 -8.345 1.00 0.99 H new ATOM 0 HG2 GLU A 786 3.525 8.128 -10.737 1.00 1.51 H new ATOM 0 HG3 GLU A 786 4.739 8.828 -9.684 1.00 1.51 H new ATOM 151 N LYS A 787 5.570 8.106 -6.789 1.00 0.91 N ATOM 152 CA LYS A 787 6.291 9.116 -6.049 1.00 1.01 C ATOM 153 C LYS A 787 5.936 8.992 -4.581 1.00 0.96 C ATOM 154 O LYS A 787 4.815 8.610 -4.243 1.00 1.58 O ATOM 155 CB LYS A 787 5.986 10.532 -6.569 1.00 1.17 C ATOM 156 CG LYS A 787 4.616 11.082 -6.185 1.00 1.21 C ATOM 157 CD LYS A 787 3.487 10.419 -6.960 1.00 1.35 C ATOM 158 CE LYS A 787 2.135 10.990 -6.566 1.00 1.27 C ATOM 159 NZ LYS A 787 2.033 12.442 -6.862 1.00 1.80 N ATOM 0 H LYS A 787 4.599 7.986 -6.500 1.00 0.91 H new ATOM 0 HA LYS A 787 7.361 8.956 -6.185 1.00 1.01 H new ATOM 0 HB2 LYS A 787 6.751 11.212 -6.195 1.00 1.17 H new ATOM 0 HB3 LYS A 787 6.067 10.528 -7.656 1.00 1.17 H new ATOM 0 HG2 LYS A 787 4.455 10.935 -5.117 1.00 1.21 H new ATOM 0 HG3 LYS A 787 4.595 12.157 -6.366 1.00 1.21 H new ATOM 0 HD2 LYS A 787 3.646 10.560 -8.029 1.00 1.35 H new ATOM 0 HD3 LYS A 787 3.498 9.345 -6.775 1.00 1.35 H new ATOM 0 HE2 LYS A 787 1.348 10.456 -7.098 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.969 10.825 -5.501 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 1.040 12.743 -6.787 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 2.609 12.976 -6.181 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 2.378 12.625 -7.826 1.00 1.80 H new ATOM 173 N VAL A 788 6.939 9.148 -3.736 1.00 0.66 N ATOM 174 CA VAL A 788 6.797 8.940 -2.300 1.00 0.61 C ATOM 175 C VAL A 788 5.545 9.627 -1.729 1.00 0.70 C ATOM 176 O VAL A 788 5.462 10.856 -1.648 1.00 1.70 O ATOM 177 CB VAL A 788 8.072 9.417 -1.559 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.578 10.729 -2.136 1.00 0.87 C ATOM 179 CG2 VAL A 788 7.824 9.558 -0.067 1.00 1.21 C ATOM 0 H VAL A 788 7.878 9.423 -4.023 1.00 0.66 H new ATOM 0 HA VAL A 788 6.671 7.870 -2.138 1.00 0.61 H new ATOM 0 HB VAL A 788 8.839 8.656 -1.705 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.473 11.042 -1.598 1.00 0.87 H new ATOM 0 HG12 VAL A 788 8.817 10.594 -3.191 1.00 0.87 H new ATOM 0 HG13 VAL A 788 7.807 11.493 -2.033 1.00 0.87 H new ATOM 0 HG21 VAL A 788 8.738 9.894 0.424 1.00 1.21 H new ATOM 0 HG22 VAL A 788 7.032 10.287 0.103 1.00 1.21 H new ATOM 0 HG23 VAL A 788 7.525 8.594 0.345 1.00 1.21 H new ATOM 189 N TRP A 789 4.566 8.807 -1.361 1.00 0.50 N ATOM 190 CA TRP A 789 3.316 9.285 -0.770 1.00 0.33 C ATOM 191 C TRP A 789 3.494 9.521 0.722 1.00 0.29 C ATOM 192 O TRP A 789 4.086 8.693 1.411 1.00 0.34 O ATOM 193 CB TRP A 789 2.199 8.257 -0.963 1.00 0.32 C ATOM 194 CG TRP A 789 1.688 8.122 -2.363 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.460 9.118 -3.269 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.319 6.903 -3.007 1.00 0.34 C ATOM 197 NE1 TRP A 789 0.944 8.585 -4.429 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.858 7.226 -4.290 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.334 5.564 -2.615 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.409 6.258 -5.180 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.896 4.607 -3.500 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.438 4.956 -4.770 1.00 0.44 C ATOM 0 H TRP A 789 4.614 7.793 -1.463 1.00 0.50 H new ATOM 0 HA TRP A 789 3.049 10.217 -1.268 1.00 0.33 H new ATOM 0 HB2 TRP A 789 2.562 7.284 -0.631 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.365 8.525 -0.314 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.655 10.167 -3.101 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.671 9.116 -5.256 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.684 5.284 -1.632 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.049 6.526 -6.162 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.907 3.568 -3.207 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.100 4.181 -5.442 1.00 0.44 H new ATOM 213 N ASN A 790 2.862 10.563 1.246 1.00 0.29 N ATOM 214 CA ASN A 790 2.876 10.816 2.686 1.00 0.32 C ATOM 215 C ASN A 790 1.771 10.008 3.379 1.00 0.37 C ATOM 216 O ASN A 790 1.021 10.536 4.198 1.00 0.82 O ATOM 217 CB ASN A 790 2.708 12.315 2.973 1.00 0.39 C ATOM 218 CG ASN A 790 3.017 12.696 4.417 1.00 1.20 C ATOM 219 OD1 ASN A 790 2.744 13.818 4.840 1.00 2.06 O ATOM 220 ND2 ASN A 790 3.602 11.779 5.181 1.00 1.79 N ATOM 0 H ASN A 790 2.335 11.245 0.701 1.00 0.29 H new ATOM 0 HA ASN A 790 3.840 10.498 3.084 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.362 12.880 2.309 1.00 0.39 H new ATOM 0 HB3 ASN A 790 1.685 12.609 2.739 1.00 0.39 H new ATOM 0 HD21 ASN A 790 3.838 11.997 6.149 1.00 1.79 H new ATOM 0 HD22 ASN A 790 3.815 10.857 4.799 1.00 1.79 H new ATOM 227 N PHE A 791 1.697 8.721 3.027 1.00 0.30 N ATOM 228 CA PHE A 791 0.731 7.761 3.592 1.00 0.25 C ATOM 229 C PHE A 791 -0.719 8.098 3.246 1.00 0.23 C ATOM 230 O PHE A 791 -1.426 7.259 2.706 1.00 0.21 O ATOM 231 CB PHE A 791 0.902 7.632 5.107 1.00 0.28 C ATOM 232 CG PHE A 791 -0.101 6.723 5.763 1.00 0.30 C ATOM 233 CD1 PHE A 791 -0.157 5.377 5.437 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.986 7.215 6.708 1.00 0.42 C ATOM 235 CE1 PHE A 791 -1.073 4.540 6.045 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.903 6.383 7.318 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.950 5.045 6.983 1.00 0.42 C ATOM 0 H PHE A 791 2.315 8.305 2.330 1.00 0.30 H new ATOM 0 HA PHE A 791 0.953 6.800 3.128 1.00 0.25 H new ATOM 0 HB2 PHE A 791 1.905 7.261 5.318 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.827 8.622 5.556 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.523 4.978 4.699 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.958 8.262 6.971 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -1.102 3.492 5.786 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.584 6.779 8.057 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.672 4.394 7.454 1.00 0.42 H new ATOM 247 N ASP A 792 -1.165 9.307 3.557 1.00 0.26 N ATOM 248 CA ASP A 792 -2.539 9.714 3.275 1.00 0.29 C ATOM 249 C ASP A 792 -2.805 9.663 1.777 1.00 0.25 C ATOM 250 O ASP A 792 -3.844 9.183 1.332 1.00 0.26 O ATOM 251 CB ASP A 792 -2.807 11.124 3.802 1.00 0.38 C ATOM 252 CG ASP A 792 -4.285 11.469 3.823 1.00 1.13 C ATOM 253 OD1 ASP A 792 -5.119 10.566 3.614 1.00 1.74 O ATOM 254 OD2 ASP A 792 -4.619 12.640 4.094 1.00 1.86 O ATOM 0 H ASP A 792 -0.597 10.026 4.005 1.00 0.26 H new ATOM 0 HA ASP A 792 -3.210 9.021 3.782 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -2.403 11.214 4.810 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -2.278 11.847 3.181 1.00 0.38 H new ATOM 259 N ASP A 793 -1.797 10.054 1.006 1.00 0.24 N ATOM 260 CA ASP A 793 -1.859 9.983 -0.450 1.00 0.23 C ATOM 261 C ASP A 793 -2.006 8.533 -0.884 1.00 0.19 C ATOM 262 O ASP A 793 -2.832 8.195 -1.733 1.00 0.18 O ATOM 263 CB ASP A 793 -0.584 10.558 -1.066 1.00 0.28 C ATOM 264 CG ASP A 793 -0.234 11.936 -0.551 1.00 0.75 C ATOM 265 OD1 ASP A 793 -1.058 12.854 -0.735 1.00 1.16 O ATOM 266 OD2 ASP A 793 0.855 12.109 0.038 1.00 1.36 O ATOM 0 H ASP A 793 -0.919 10.427 1.369 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.716 10.564 -0.790 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.246 9.881 -0.862 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.701 10.602 -2.149 1.00 0.28 H new ATOM 271 N LEU A 794 -1.241 7.682 -0.220 1.00 0.18 N ATOM 272 CA LEU A 794 -1.288 6.247 -0.430 1.00 0.17 C ATOM 273 C LEU A 794 -2.666 5.701 -0.068 1.00 0.16 C ATOM 274 O LEU A 794 -3.275 4.970 -0.846 1.00 0.16 O ATOM 275 CB LEU A 794 -0.184 5.593 0.413 1.00 0.19 C ATOM 276 CG LEU A 794 -0.398 4.128 0.791 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.285 3.225 -0.431 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.592 3.701 1.861 1.00 0.22 C ATOM 0 H LEU A 794 -0.564 7.972 0.486 1.00 0.18 H new ATOM 0 HA LEU A 794 -1.117 6.015 -1.481 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.756 5.671 -0.134 1.00 0.19 H new ATOM 0 HB3 LEU A 794 -0.068 6.170 1.331 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.406 4.029 1.193 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.442 2.188 -0.133 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.039 3.510 -1.165 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.707 3.330 -0.871 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.423 2.655 2.116 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.608 3.824 1.486 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.456 4.318 2.749 1.00 0.22 H new ATOM 290 N ILE A 795 -3.181 6.133 1.077 1.00 0.18 N ATOM 291 CA ILE A 795 -4.509 5.742 1.531 1.00 0.20 C ATOM 292 C ILE A 795 -5.576 6.160 0.527 1.00 0.19 C ATOM 293 O ILE A 795 -6.405 5.349 0.133 1.00 0.20 O ATOM 294 CB ILE A 795 -4.828 6.347 2.920 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.998 5.652 4.002 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.314 6.244 3.237 1.00 0.51 C ATOM 297 CD1 ILE A 795 -4.247 4.160 4.095 1.00 0.48 C ATOM 0 H ILE A 795 -2.692 6.762 1.714 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.515 4.655 1.617 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.564 7.404 2.899 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.940 5.823 3.802 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.218 6.109 4.967 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.508 6.677 4.218 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.885 6.785 2.483 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.614 5.196 3.237 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.624 3.736 4.883 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -5.297 3.980 4.326 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.999 3.690 3.144 1.00 0.48 H new ATOM 309 N MET A 796 -5.519 7.411 0.084 1.00 0.22 N ATOM 310 CA MET A 796 -6.477 7.929 -0.890 1.00 0.26 C ATOM 311 C MET A 796 -6.433 7.127 -2.185 1.00 0.22 C ATOM 312 O MET A 796 -7.475 6.728 -2.709 1.00 0.23 O ATOM 313 CB MET A 796 -6.201 9.402 -1.187 1.00 0.38 C ATOM 314 CG MET A 796 -6.546 10.334 -0.038 1.00 0.93 C ATOM 315 SD MET A 796 -6.202 12.061 -0.425 1.00 2.03 S ATOM 316 CE MET A 796 -7.211 12.289 -1.890 1.00 2.69 C ATOM 0 H MET A 796 -4.818 8.088 0.384 1.00 0.22 H new ATOM 0 HA MET A 796 -7.472 7.833 -0.456 1.00 0.26 H new ATOM 0 HB2 MET A 796 -5.146 9.522 -1.435 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.771 9.699 -2.067 1.00 0.38 H new ATOM 0 HG2 MET A 796 -7.601 10.224 0.211 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.978 10.043 0.845 1.00 0.93 H new ATOM 0 HE1 MET A 796 -7.614 13.302 -1.900 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.601 12.132 -2.780 1.00 2.69 H new ATOM 0 HE3 MET A 796 -8.032 11.572 -1.882 1.00 2.69 H new ATOM 326 N ALA A 797 -5.225 6.846 -2.663 1.00 0.21 N ATOM 327 CA ALA A 797 -5.045 6.043 -3.866 1.00 0.22 C ATOM 328 C ALA A 797 -5.647 4.658 -3.674 1.00 0.21 C ATOM 329 O ALA A 797 -6.434 4.195 -4.499 1.00 0.26 O ATOM 330 CB ALA A 797 -3.570 5.935 -4.219 1.00 0.27 C ATOM 0 H ALA A 797 -4.355 7.163 -2.235 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.562 6.535 -4.690 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.455 5.332 -5.120 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.164 6.931 -4.395 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.032 5.464 -3.396 1.00 0.27 H new ATOM 336 N ILE A 798 -5.336 4.043 -2.541 1.00 0.20 N ATOM 337 CA ILE A 798 -5.888 2.744 -2.189 1.00 0.26 C ATOM 338 C ILE A 798 -7.415 2.801 -2.114 1.00 0.27 C ATOM 339 O ILE A 798 -8.108 1.988 -2.724 1.00 0.33 O ATOM 340 CB ILE A 798 -5.330 2.259 -0.832 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.836 1.959 -0.934 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.073 1.027 -0.359 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.215 1.521 0.376 1.00 0.67 C ATOM 0 H ILE A 798 -4.698 4.428 -1.845 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.595 2.042 -2.969 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.475 3.058 -0.105 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.681 1.179 -1.679 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.319 2.849 -1.292 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.665 0.701 0.598 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.131 1.263 -0.241 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.959 0.229 -1.093 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.153 1.325 0.228 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.339 2.309 1.119 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.706 0.613 0.726 1.00 0.67 H new ATOM 355 N ASN A 799 -7.921 3.778 -1.370 1.00 0.27 N ATOM 356 CA ASN A 799 -9.354 3.954 -1.165 1.00 0.33 C ATOM 357 C ASN A 799 -10.114 3.992 -2.484 1.00 0.31 C ATOM 358 O ASN A 799 -11.115 3.290 -2.659 1.00 0.40 O ATOM 359 CB ASN A 799 -9.620 5.254 -0.397 1.00 0.40 C ATOM 360 CG ASN A 799 -9.283 5.176 1.083 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.312 6.188 1.785 1.00 1.21 O ATOM 362 ND2 ASN A 799 -8.993 3.984 1.577 1.00 0.70 N ATOM 0 H ASN A 799 -7.348 4.472 -0.891 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.707 3.098 -0.589 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.039 6.057 -0.850 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.671 5.520 -0.507 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -8.784 3.881 2.570 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.979 3.168 0.965 1.00 0.70 H new ATOM 369 N SER A 800 -9.675 4.860 -3.381 1.00 0.30 N ATOM 370 CA SER A 800 -10.342 5.039 -4.658 1.00 0.35 C ATOM 371 C SER A 800 -10.183 3.815 -5.560 1.00 0.33 C ATOM 372 O SER A 800 -11.144 3.362 -6.183 1.00 0.41 O ATOM 373 CB SER A 800 -9.783 6.275 -5.356 1.00 0.44 C ATOM 374 OG SER A 800 -9.835 7.408 -4.502 1.00 1.29 O ATOM 0 H SER A 800 -8.856 5.453 -3.246 1.00 0.30 H new ATOM 0 HA SER A 800 -11.407 5.169 -4.466 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.752 6.091 -5.660 1.00 0.44 H new ATOM 0 HB3 SER A 800 -10.352 6.473 -6.264 1.00 0.44 H new ATOM 0 HG SER A 800 -9.128 7.341 -3.827 1.00 1.29 H new ATOM 380 N LYS A 801 -8.946 3.366 -5.724 1.00 0.29 N ATOM 381 CA LYS A 801 -8.637 2.321 -6.688 1.00 0.36 C ATOM 382 C LYS A 801 -9.216 0.956 -6.303 1.00 0.43 C ATOM 383 O LYS A 801 -9.632 0.203 -7.182 1.00 0.58 O ATOM 384 CB LYS A 801 -7.139 2.232 -6.912 1.00 0.43 C ATOM 385 CG LYS A 801 -6.578 3.474 -7.580 1.00 0.86 C ATOM 386 CD LYS A 801 -5.176 3.246 -8.107 1.00 1.06 C ATOM 387 CE LYS A 801 -5.170 2.279 -9.280 1.00 1.13 C ATOM 388 NZ LYS A 801 -3.815 2.123 -9.866 1.00 1.95 N ATOM 0 H LYS A 801 -8.140 3.710 -5.201 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.121 2.603 -7.623 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.640 2.081 -5.955 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -6.918 1.360 -7.528 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.231 3.771 -8.401 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.568 4.298 -6.866 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.744 4.198 -8.417 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -4.546 2.854 -7.309 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -5.536 1.307 -8.950 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -5.858 2.635 -10.047 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -3.856 1.456 -10.662 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -3.475 3.046 -10.205 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -3.164 1.758 -9.142 1.00 1.95 H new ATOM 402 N ILE A 802 -9.225 0.623 -5.009 1.00 0.39 N ATOM 403 CA ILE A 802 -9.756 -0.674 -4.571 1.00 0.52 C ATOM 404 C ILE A 802 -11.211 -0.828 -4.993 1.00 0.70 C ATOM 405 O ILE A 802 -11.533 -1.654 -5.850 1.00 1.56 O ATOM 406 CB ILE A 802 -9.653 -0.878 -3.034 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.189 -1.031 -2.619 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.453 -2.099 -2.585 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.008 -1.500 -1.191 1.00 0.71 C ATOM 0 H ILE A 802 -8.878 1.220 -4.258 1.00 0.39 H new ATOM 0 HA ILE A 802 -9.141 -1.433 -5.054 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.074 0.002 -2.548 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -7.703 -1.740 -3.289 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.683 -0.074 -2.745 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.362 -2.217 -1.505 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.502 -1.964 -2.848 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.067 -2.990 -3.081 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -6.944 -1.585 -0.968 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.465 -0.781 -0.511 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.485 -2.472 -1.064 1.00 0.71 H new ATOM 421 N SER A 803 -12.074 -0.009 -4.407 1.00 1.05 N ATOM 422 CA SER A 803 -13.502 -0.037 -4.696 1.00 1.14 C ATOM 423 C SER A 803 -14.173 1.200 -4.116 1.00 1.66 C ATOM 424 O SER A 803 -14.752 1.144 -3.032 1.00 2.28 O ATOM 425 CB SER A 803 -14.161 -1.298 -4.105 1.00 2.03 C ATOM 426 OG SER A 803 -13.643 -2.486 -4.684 1.00 2.88 O ATOM 0 H SER A 803 -11.804 0.693 -3.718 1.00 1.05 H new ATOM 0 HA SER A 803 -13.627 -0.052 -5.779 1.00 1.14 H new ATOM 0 HB2 SER A 803 -14.001 -1.320 -3.027 1.00 2.03 H new ATOM 0 HB3 SER A 803 -15.238 -1.255 -4.267 1.00 2.03 H new ATOM 0 HG SER A 803 -13.076 -2.256 -5.450 1.00 2.88 H new ATOM 432 N ASN A 804 -14.058 2.329 -4.811 1.00 2.33 N ATOM 433 CA ASN A 804 -14.641 3.586 -4.329 1.00 3.40 C ATOM 434 C ASN A 804 -16.160 3.611 -4.507 1.00 3.88 C ATOM 435 O ASN A 804 -16.742 4.631 -4.879 1.00 4.66 O ATOM 436 CB ASN A 804 -13.995 4.812 -5.003 1.00 4.12 C ATOM 437 CG ASN A 804 -14.172 4.892 -6.518 1.00 4.56 C ATOM 438 OD1 ASN A 804 -13.747 5.866 -7.141 1.00 5.02 O ATOM 439 ND2 ASN A 804 -14.783 3.890 -7.129 1.00 4.87 N ATOM 0 H ASN A 804 -13.571 2.403 -5.704 1.00 2.33 H new ATOM 0 HA ASN A 804 -14.427 3.640 -3.261 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -14.413 5.714 -4.557 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -12.929 4.810 -4.778 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -14.912 3.912 -8.141 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -15.125 3.096 -6.588 1.00 4.87 H new ATOM 446 N THR A 805 -16.789 2.490 -4.189 1.00 3.74 N ATOM 447 CA THR A 805 -18.225 2.347 -4.277 1.00 4.53 C ATOM 448 C THR A 805 -18.640 0.961 -3.787 1.00 4.65 C ATOM 449 O THR A 805 -17.941 -0.026 -4.036 1.00 5.32 O ATOM 450 CB THR A 805 -18.733 2.564 -5.725 1.00 4.91 C ATOM 451 OG1 THR A 805 -20.157 2.418 -5.784 1.00 5.49 O ATOM 452 CG2 THR A 805 -18.081 1.586 -6.696 1.00 4.80 C ATOM 0 H THR A 805 -16.310 1.651 -3.861 1.00 3.74 H new ATOM 0 HA THR A 805 -18.676 3.112 -3.645 1.00 4.53 H new ATOM 0 HB THR A 805 -18.459 3.577 -6.019 1.00 4.91 H new ATOM 0 HG1 THR A 805 -20.462 2.559 -6.704 1.00 5.49 H new ATOM 0 HG21 THR A 805 -18.459 1.766 -7.702 1.00 4.80 H new ATOM 0 HG22 THR A 805 -17.000 1.728 -6.684 1.00 4.80 H new ATOM 0 HG23 THR A 805 -18.316 0.565 -6.397 1.00 4.80 H new ATOM 460 N HIS A 806 -19.755 0.911 -3.059 1.00 4.26 N ATOM 461 CA HIS A 806 -20.341 -0.339 -2.546 1.00 4.59 C ATOM 462 C HIS A 806 -19.550 -0.935 -1.380 1.00 4.36 C ATOM 463 O HIS A 806 -20.144 -1.373 -0.392 1.00 4.80 O ATOM 464 CB HIS A 806 -20.476 -1.396 -3.657 1.00 5.01 C ATOM 465 CG HIS A 806 -21.438 -1.033 -4.748 1.00 5.39 C ATOM 466 ND1 HIS A 806 -21.691 -1.856 -5.824 1.00 5.99 N ATOM 467 CD2 HIS A 806 -22.204 0.067 -4.932 1.00 5.63 C ATOM 468 CE1 HIS A 806 -22.567 -1.277 -6.621 1.00 6.49 C ATOM 469 NE2 HIS A 806 -22.894 -0.112 -6.103 1.00 6.32 N ATOM 0 H HIS A 806 -20.287 1.743 -2.803 1.00 4.26 H new ATOM 0 HA HIS A 806 -21.330 -0.067 -2.178 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -19.494 -1.568 -4.098 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -20.793 -2.337 -3.209 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -22.261 0.925 -4.279 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -22.951 -1.689 -7.543 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -23.555 0.551 -6.508 1.00 6.32 H new ATOM 478 N ASN A 807 -18.240 -1.066 -1.536 1.00 4.08 N ATOM 479 CA ASN A 807 -17.426 -1.743 -0.542 1.00 4.33 C ATOM 480 C ASN A 807 -16.981 -0.780 0.549 1.00 3.86 C ATOM 481 O ASN A 807 -17.712 0.134 0.922 1.00 4.10 O ATOM 482 CB ASN A 807 -16.204 -2.388 -1.207 1.00 4.87 C ATOM 483 CG ASN A 807 -16.573 -3.338 -2.335 1.00 5.24 C ATOM 484 OD1 ASN A 807 -17.147 -2.931 -3.348 1.00 5.49 O ATOM 485 ND2 ASN A 807 -16.249 -4.608 -2.170 1.00 5.72 N ATOM 0 H ASN A 807 -17.721 -0.713 -2.340 1.00 4.08 H new ATOM 0 HA ASN A 807 -18.033 -2.522 -0.081 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -15.554 -1.605 -1.597 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -15.632 -2.931 -0.455 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -16.473 -5.290 -2.895 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -15.775 -4.907 -1.318 1.00 5.72 H new ATOM 492 N ASN A 808 -15.774 -0.992 1.041 1.00 3.63 N ATOM 493 CA ASN A 808 -15.190 -0.163 2.087 1.00 3.49 C ATOM 494 C ASN A 808 -15.029 1.283 1.625 1.00 2.65 C ATOM 495 O ASN A 808 -15.767 2.162 2.070 1.00 3.08 O ATOM 496 CB ASN A 808 -13.841 -0.765 2.498 1.00 4.33 C ATOM 497 CG ASN A 808 -13.082 -1.326 1.306 1.00 4.99 C ATOM 498 OD1 ASN A 808 -12.429 -0.595 0.560 1.00 5.77 O ATOM 499 ND2 ASN A 808 -13.207 -2.628 1.092 1.00 5.03 N ATOM 0 H ASN A 808 -15.166 -1.748 0.726 1.00 3.63 H new ATOM 0 HA ASN A 808 -15.858 -0.147 2.948 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -13.236 -0.001 2.986 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -14.005 -1.557 3.229 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -12.753 -3.058 0.286 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -13.757 -3.200 1.733 1.00 5.03 H new ATOM 506 N ASN A 809 -14.101 1.501 0.691 1.00 1.96 N ATOM 507 CA ASN A 809 -13.832 2.816 0.096 1.00 1.56 C ATOM 508 C ASN A 809 -13.251 3.813 1.107 1.00 1.72 C ATOM 509 O ASN A 809 -12.248 4.461 0.827 1.00 2.42 O ATOM 510 CB ASN A 809 -15.094 3.391 -0.556 1.00 1.91 C ATOM 511 CG ASN A 809 -14.864 4.739 -1.230 1.00 2.28 C ATOM 512 OD1 ASN A 809 -15.804 5.503 -1.445 1.00 3.06 O ATOM 513 ND2 ASN A 809 -13.628 5.024 -1.619 1.00 2.55 N ATOM 0 H ASN A 809 -13.506 0.760 0.320 1.00 1.96 H new ATOM 0 HA ASN A 809 -13.076 2.660 -0.673 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -15.468 2.682 -1.295 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -15.869 3.499 0.203 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -13.437 5.897 -2.111 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -12.869 4.370 -1.426 1.00 2.55 H new ATOM 520 N ILE A 810 -13.898 3.968 2.254 1.00 1.83 N ATOM 521 CA ILE A 810 -13.451 4.916 3.270 1.00 2.18 C ATOM 522 C ILE A 810 -12.103 4.494 3.845 1.00 1.94 C ATOM 523 O ILE A 810 -11.192 5.312 4.005 1.00 2.25 O ATOM 524 CB ILE A 810 -14.473 5.029 4.420 1.00 2.63 C ATOM 525 CG1 ILE A 810 -15.877 5.316 3.871 1.00 3.05 C ATOM 526 CG2 ILE A 810 -14.052 6.114 5.400 1.00 3.04 C ATOM 527 CD1 ILE A 810 -15.960 6.571 3.028 1.00 3.44 C ATOM 0 H ILE A 810 -14.738 3.448 2.507 1.00 1.83 H new ATOM 0 HA ILE A 810 -13.354 5.887 2.784 1.00 2.18 H new ATOM 0 HB ILE A 810 -14.501 4.076 4.949 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -16.204 4.466 3.273 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -16.572 5.404 4.706 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -14.784 6.181 6.205 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -13.075 5.869 5.817 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -13.995 7.071 4.881 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -16.983 6.706 2.676 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -15.666 7.432 3.628 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -15.291 6.479 2.172 1.00 3.44 H new ATOM 539 N SER A 811 -11.987 3.213 4.146 1.00 1.61 N ATOM 540 CA SER A 811 -10.770 2.658 4.705 1.00 1.34 C ATOM 541 C SER A 811 -10.640 1.192 4.313 1.00 1.12 C ATOM 542 O SER A 811 -11.625 0.453 4.328 1.00 1.24 O ATOM 543 CB SER A 811 -10.776 2.805 6.233 1.00 1.36 C ATOM 544 OG SER A 811 -11.947 2.233 6.802 1.00 1.89 O ATOM 0 H SER A 811 -12.733 2.530 4.010 1.00 1.61 H new ATOM 0 HA SER A 811 -9.915 3.204 4.307 1.00 1.34 H new ATOM 0 HB2 SER A 811 -9.893 2.322 6.651 1.00 1.36 H new ATOM 0 HB3 SER A 811 -10.718 3.860 6.499 1.00 1.36 H new ATOM 0 HG SER A 811 -11.923 2.340 7.776 1.00 1.89 H new ATOM 550 N PRO A 812 -9.429 0.750 3.944 1.00 0.88 N ATOM 551 CA PRO A 812 -9.162 -0.641 3.580 1.00 0.80 C ATOM 552 C PRO A 812 -9.152 -1.523 4.807 1.00 0.77 C ATOM 553 O PRO A 812 -8.094 -1.940 5.290 1.00 0.82 O ATOM 554 CB PRO A 812 -7.788 -0.593 2.893 1.00 0.77 C ATOM 555 CG PRO A 812 -7.427 0.860 2.808 1.00 0.75 C ATOM 556 CD PRO A 812 -8.211 1.555 3.881 1.00 0.82 C ATOM 0 HA PRO A 812 -9.925 -1.065 2.927 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -7.045 -1.148 3.465 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.830 -1.045 1.902 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.356 1.003 2.955 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.671 1.264 1.825 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.679 1.564 4.833 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.422 2.593 3.624 1.00 0.82 H new ATOM 564 N ILE A 813 -10.329 -1.582 5.420 1.00 0.87 N ATOM 565 CA ILE A 813 -10.516 -2.139 6.743 1.00 0.96 C ATOM 566 C ILE A 813 -9.915 -1.169 7.749 1.00 0.96 C ATOM 567 O ILE A 813 -10.640 -0.432 8.417 1.00 1.64 O ATOM 568 CB ILE A 813 -9.902 -3.565 6.919 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.742 -4.631 6.196 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.797 -3.930 8.395 1.00 1.22 C ATOM 571 CD1 ILE A 813 -10.902 -4.413 4.708 1.00 1.67 C ATOM 0 H ILE A 813 -11.191 -1.236 4.999 1.00 0.87 H new ATOM 0 HA ILE A 813 -11.586 -2.267 6.906 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.906 -3.542 6.478 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.283 -5.606 6.358 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -11.731 -4.664 6.652 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.367 -4.927 8.494 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -9.159 -3.208 8.904 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.790 -3.917 8.845 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -11.509 -5.214 4.286 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.392 -3.455 4.531 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -9.921 -4.412 4.233 1.00 1.67 H new ATOM 583 N THR A 814 -8.585 -1.060 7.700 1.00 0.83 N ATOM 584 CA THR A 814 -7.807 -0.144 8.526 1.00 0.84 C ATOM 585 C THR A 814 -6.373 -0.664 8.597 1.00 0.71 C ATOM 586 O THR A 814 -5.422 0.090 8.801 1.00 1.08 O ATOM 587 CB THR A 814 -8.388 -0.020 9.955 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.535 0.779 10.786 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.577 -1.399 10.560 1.00 1.90 C ATOM 0 H THR A 814 -8.010 -1.620 7.070 1.00 0.83 H new ATOM 0 HA THR A 814 -7.841 0.848 8.076 1.00 0.84 H new ATOM 0 HB THR A 814 -9.357 0.475 9.892 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.922 0.845 11.684 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.986 -1.302 11.566 1.00 1.90 H new ATOM 0 HG22 THR A 814 -9.265 -1.976 9.942 1.00 1.90 H new ATOM 0 HG23 THR A 814 -7.616 -1.910 10.607 1.00 1.90 H new ATOM 597 N LYS A 815 -6.263 -1.988 8.517 1.00 0.61 N ATOM 598 CA LYS A 815 -5.000 -2.687 8.693 1.00 0.82 C ATOM 599 C LYS A 815 -4.010 -2.379 7.576 1.00 0.88 C ATOM 600 O LYS A 815 -2.933 -1.855 7.839 1.00 1.68 O ATOM 601 CB LYS A 815 -5.262 -4.192 8.723 1.00 1.16 C ATOM 602 CG LYS A 815 -4.106 -5.013 9.258 1.00 1.29 C ATOM 603 CD LYS A 815 -4.131 -5.058 10.775 1.00 1.45 C ATOM 604 CE LYS A 815 -3.529 -3.804 11.396 1.00 1.74 C ATOM 605 NZ LYS A 815 -3.722 -3.770 12.869 1.00 2.52 N ATOM 0 H LYS A 815 -7.053 -2.605 8.327 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.561 -2.347 9.631 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.143 -4.384 9.335 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.496 -4.529 7.713 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -4.159 -6.026 8.859 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -3.163 -4.585 8.918 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -5.160 -5.173 11.117 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -3.580 -5.933 11.120 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -2.464 -3.761 11.168 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -3.987 -2.921 10.949 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -3.299 -2.902 13.255 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -4.739 -3.786 13.086 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -3.263 -4.599 13.298 1.00 2.52 H new ATOM 619 N ILE A 816 -4.385 -2.791 6.360 1.00 0.43 N ATOM 620 CA ILE A 816 -3.562 -2.710 5.139 1.00 0.34 C ATOM 621 C ILE A 816 -2.179 -3.357 5.276 1.00 0.30 C ATOM 622 O ILE A 816 -1.377 -3.047 6.164 1.00 0.33 O ATOM 623 CB ILE A 816 -3.421 -1.281 4.557 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.551 -0.368 5.430 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.793 -0.667 4.363 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.397 1.034 4.881 1.00 1.06 C ATOM 0 H ILE A 816 -5.301 -3.205 6.188 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.137 -3.298 4.424 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.916 -1.373 3.595 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.986 -0.312 6.428 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.564 -0.817 5.538 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.687 0.338 3.954 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.372 -1.281 3.673 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.308 -0.616 5.323 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.769 1.621 5.552 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.933 0.990 3.896 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.378 1.503 4.800 1.00 1.06 H new ATOM 638 N LYS A 817 -1.872 -4.175 4.295 1.00 0.26 N ATOM 639 CA LYS A 817 -0.592 -4.850 4.220 1.00 0.24 C ATOM 640 C LYS A 817 0.004 -4.588 2.853 1.00 0.23 C ATOM 641 O LYS A 817 -0.730 -4.418 1.888 1.00 0.24 O ATOM 642 CB LYS A 817 -0.775 -6.354 4.441 1.00 0.33 C ATOM 643 CG LYS A 817 0.498 -7.083 4.822 1.00 0.74 C ATOM 644 CD LYS A 817 0.214 -8.520 5.229 1.00 0.68 C ATOM 645 CE LYS A 817 1.498 -9.268 5.537 1.00 1.18 C ATOM 646 NZ LYS A 817 1.245 -10.641 6.050 1.00 1.35 N ATOM 0 H LYS A 817 -2.503 -4.393 3.524 1.00 0.26 H new ATOM 0 HA LYS A 817 0.076 -4.474 4.995 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.517 -6.508 5.224 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -1.176 -6.798 3.530 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.191 -7.072 3.981 1.00 0.74 H new ATOM 0 HG3 LYS A 817 0.986 -6.560 5.644 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.435 -8.531 6.105 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.323 -9.028 4.428 1.00 0.68 H new ATOM 0 HE2 LYS A 817 2.107 -9.327 4.635 1.00 1.18 H new ATOM 0 HE3 LYS A 817 2.074 -8.708 6.274 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.152 -11.111 6.246 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 0.687 -10.587 6.926 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.719 -11.186 5.338 1.00 1.35 H new ATOM 660 N TYR A 818 1.312 -4.468 2.784 1.00 0.20 N ATOM 661 CA TYR A 818 1.961 -4.096 1.550 1.00 0.19 C ATOM 662 C TYR A 818 3.046 -5.098 1.199 1.00 0.18 C ATOM 663 O TYR A 818 3.639 -5.738 2.072 1.00 0.19 O ATOM 664 CB TYR A 818 2.528 -2.664 1.629 1.00 0.20 C ATOM 665 CG TYR A 818 3.858 -2.526 2.350 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.053 -2.857 1.718 1.00 0.23 C ATOM 667 CD2 TYR A 818 3.919 -2.068 3.658 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.262 -2.740 2.369 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.126 -1.943 4.314 1.00 0.27 C ATOM 670 CZ TYR A 818 6.293 -2.283 3.667 1.00 0.26 C ATOM 671 OH TYR A 818 7.499 -2.159 4.321 1.00 0.30 O ATOM 0 H TYR A 818 1.945 -4.623 3.569 1.00 0.20 H new ATOM 0 HA TYR A 818 1.216 -4.109 0.755 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.643 -2.281 0.615 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.796 -2.029 2.129 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.032 -3.212 0.698 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.006 -1.805 4.171 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.179 -3.005 1.864 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.156 -1.580 5.331 1.00 0.27 H new ATOM 0 HH TYR A 818 7.381 -1.609 5.123 1.00 0.30 H new ATOM 681 N GLN A 819 3.200 -5.304 -0.086 1.00 0.17 N ATOM 682 CA GLN A 819 4.125 -6.281 -0.617 1.00 0.19 C ATOM 683 C GLN A 819 5.011 -5.611 -1.644 1.00 0.19 C ATOM 684 O GLN A 819 4.607 -4.635 -2.269 1.00 0.18 O ATOM 685 CB GLN A 819 3.388 -7.455 -1.264 1.00 0.22 C ATOM 686 CG GLN A 819 4.316 -8.560 -1.750 1.00 0.35 C ATOM 687 CD GLN A 819 3.817 -9.248 -2.999 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.700 -9.757 -3.042 1.00 1.08 O ATOM 689 NE2 GLN A 819 4.649 -9.270 -4.026 1.00 0.90 N ATOM 0 H GLN A 819 2.682 -4.794 -0.802 1.00 0.17 H new ATOM 0 HA GLN A 819 4.724 -6.673 0.205 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.684 -7.873 -0.544 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.802 -7.087 -2.106 1.00 0.22 H new ATOM 0 HG2 GLN A 819 5.302 -8.138 -1.944 1.00 0.35 H new ATOM 0 HG3 GLN A 819 4.436 -9.300 -0.958 1.00 0.35 H new ATOM 0 HE21 GLN A 819 5.568 -8.835 -3.947 1.00 0.90 H new ATOM 0 HE22 GLN A 819 4.372 -9.722 -4.897 1.00 0.90 H new ATOM 698 N ASP A 820 6.239 -6.065 -1.736 1.00 0.22 N ATOM 699 CA ASP A 820 7.224 -5.406 -2.564 1.00 0.24 C ATOM 700 C ASP A 820 7.808 -6.398 -3.552 1.00 0.28 C ATOM 701 O ASP A 820 7.796 -7.613 -3.297 1.00 0.38 O ATOM 702 CB ASP A 820 8.325 -4.806 -1.678 1.00 0.31 C ATOM 703 CG ASP A 820 9.709 -5.367 -1.956 1.00 0.96 C ATOM 704 OD1 ASP A 820 10.332 -4.973 -2.969 1.00 1.38 O ATOM 705 OD2 ASP A 820 10.174 -6.217 -1.168 1.00 1.73 O ATOM 0 H ASP A 820 6.582 -6.891 -1.246 1.00 0.22 H new ATOM 0 HA ASP A 820 6.752 -4.599 -3.124 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.345 -3.726 -1.821 1.00 0.31 H new ATOM 0 HB3 ASP A 820 8.074 -4.984 -0.632 1.00 0.31 H new ATOM 710 N GLU A 821 8.119 -5.871 -4.741 1.00 0.28 N ATOM 711 CA GLU A 821 8.578 -6.640 -5.901 1.00 0.38 C ATOM 712 C GLU A 821 9.585 -7.724 -5.524 1.00 0.85 C ATOM 713 O GLU A 821 9.580 -8.810 -6.106 1.00 0.63 O ATOM 714 CB GLU A 821 9.213 -5.674 -6.904 1.00 1.20 C ATOM 715 CG GLU A 821 9.675 -6.314 -8.202 1.00 1.63 C ATOM 716 CD GLU A 821 8.530 -6.771 -9.076 1.00 2.62 C ATOM 717 OE1 GLU A 821 7.871 -7.768 -8.715 1.00 3.38 O ATOM 718 OE2 GLU A 821 8.282 -6.144 -10.125 1.00 3.04 O ATOM 0 H GLU A 821 8.056 -4.870 -4.927 1.00 0.28 H new ATOM 0 HA GLU A 821 7.715 -7.145 -6.335 1.00 0.38 H new ATOM 0 HB2 GLU A 821 8.492 -4.891 -7.138 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.067 -5.190 -6.430 1.00 1.20 H new ATOM 0 HG2 GLU A 821 10.285 -5.600 -8.756 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.313 -7.168 -7.973 1.00 1.63 H new ATOM 725 N ASP A 822 10.441 -7.426 -4.557 1.00 1.90 N ATOM 726 CA ASP A 822 11.455 -8.378 -4.101 1.00 2.86 C ATOM 727 C ASP A 822 10.819 -9.693 -3.656 1.00 2.24 C ATOM 728 O ASP A 822 11.396 -10.768 -3.827 1.00 2.49 O ATOM 729 CB ASP A 822 12.263 -7.785 -2.948 1.00 3.96 C ATOM 730 CG ASP A 822 13.323 -8.732 -2.425 1.00 5.04 C ATOM 731 OD1 ASP A 822 14.272 -9.046 -3.174 1.00 5.45 O ATOM 732 OD2 ASP A 822 13.216 -9.168 -1.257 1.00 5.63 O ATOM 0 H ASP A 822 10.457 -6.530 -4.069 1.00 1.90 H new ATOM 0 HA ASP A 822 12.119 -8.581 -4.941 1.00 2.86 H new ATOM 0 HB2 ASP A 822 12.739 -6.863 -3.281 1.00 3.96 H new ATOM 0 HB3 ASP A 822 11.587 -7.520 -2.135 1.00 3.96 H new ATOM 737 N GLY A 823 9.621 -9.602 -3.103 1.00 1.39 N ATOM 738 CA GLY A 823 8.920 -10.784 -2.650 1.00 0.79 C ATOM 739 C GLY A 823 8.783 -10.805 -1.145 1.00 0.74 C ATOM 740 O GLY A 823 9.365 -11.659 -0.476 1.00 0.91 O ATOM 0 H GLY A 823 9.119 -8.726 -2.959 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.931 -10.819 -3.107 1.00 0.79 H new ATOM 0 HA3 GLY A 823 9.455 -11.674 -2.980 1.00 0.79 H new ATOM 744 N ASP A 824 8.158 -9.771 -0.604 1.00 0.55 N ATOM 745 CA ASP A 824 8.095 -9.598 0.848 1.00 0.53 C ATOM 746 C ASP A 824 6.785 -8.933 1.257 1.00 0.40 C ATOM 747 O ASP A 824 6.236 -8.128 0.509 1.00 0.32 O ATOM 748 CB ASP A 824 9.294 -8.781 1.339 1.00 0.61 C ATOM 749 CG ASP A 824 9.577 -8.977 2.819 1.00 0.97 C ATOM 750 OD1 ASP A 824 8.772 -8.527 3.656 1.00 1.47 O ATOM 751 OD2 ASP A 824 10.614 -9.593 3.152 1.00 1.42 O ATOM 0 H ASP A 824 7.689 -9.041 -1.140 1.00 0.55 H new ATOM 0 HA ASP A 824 8.133 -10.582 1.314 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.177 -9.061 0.765 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.110 -7.724 1.146 1.00 0.61 H new ATOM 756 N PHE A 825 6.282 -9.297 2.430 1.00 0.43 N ATOM 757 CA PHE A 825 5.001 -8.795 2.922 1.00 0.38 C ATOM 758 C PHE A 825 5.180 -8.151 4.287 1.00 0.40 C ATOM 759 O PHE A 825 5.833 -8.698 5.175 1.00 0.47 O ATOM 760 CB PHE A 825 3.982 -9.931 3.063 1.00 0.47 C ATOM 761 CG PHE A 825 2.953 -10.008 1.968 1.00 0.49 C ATOM 762 CD1 PHE A 825 3.212 -10.714 0.799 1.00 0.91 C ATOM 763 CD2 PHE A 825 1.749 -9.342 2.086 1.00 0.55 C ATOM 764 CE1 PHE A 825 2.288 -10.753 -0.221 1.00 1.16 C ATOM 765 CE2 PHE A 825 0.818 -9.383 1.067 1.00 0.80 C ATOM 766 CZ PHE A 825 1.023 -10.214 -0.019 1.00 1.04 C ATOM 0 H PHE A 825 6.746 -9.945 3.066 1.00 0.43 H new ATOM 0 HA PHE A 825 4.637 -8.064 2.200 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.520 -10.878 3.101 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.467 -9.819 4.017 1.00 0.47 H new ATOM 0 HD1 PHE A 825 4.150 -11.238 0.689 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.533 -8.783 2.985 1.00 0.55 H new ATOM 0 HE1 PHE A 825 2.544 -11.199 -1.171 1.00 1.16 H new ATOM 0 HE2 PHE A 825 -0.068 -8.768 1.118 1.00 0.80 H new ATOM 0 HZ PHE A 825 0.214 -10.440 -0.698 1.00 1.04 H new ATOM 776 N VAL A 826 4.672 -6.936 4.387 1.00 0.35 N ATOM 777 CA VAL A 826 4.834 -6.082 5.554 1.00 0.39 C ATOM 778 C VAL A 826 3.539 -5.306 5.773 1.00 0.31 C ATOM 779 O VAL A 826 2.805 -5.065 4.825 1.00 0.29 O ATOM 780 CB VAL A 826 6.012 -5.089 5.386 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.151 -4.190 6.605 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.319 -5.821 5.129 1.00 0.95 C ATOM 0 H VAL A 826 4.123 -6.504 3.644 1.00 0.35 H new ATOM 0 HA VAL A 826 5.058 -6.713 6.414 1.00 0.39 H new ATOM 0 HB VAL A 826 5.788 -4.467 4.519 1.00 0.52 H new ATOM 0 HG11 VAL A 826 6.985 -3.504 6.458 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.232 -3.620 6.743 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.335 -4.801 7.489 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.126 -5.097 5.016 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.538 -6.480 5.969 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.232 -6.412 4.218 1.00 0.95 H new ATOM 792 N VAL A 827 3.214 -4.990 7.010 1.00 0.33 N ATOM 793 CA VAL A 827 1.941 -4.357 7.319 1.00 0.32 C ATOM 794 C VAL A 827 2.215 -3.043 8.029 1.00 0.35 C ATOM 795 O VAL A 827 3.207 -2.924 8.756 1.00 0.40 O ATOM 796 CB VAL A 827 1.073 -5.273 8.218 1.00 0.37 C ATOM 797 CG1 VAL A 827 1.790 -5.604 9.518 1.00 0.98 C ATOM 798 CG2 VAL A 827 -0.279 -4.640 8.508 1.00 1.22 C ATOM 0 H VAL A 827 3.811 -5.160 7.820 1.00 0.33 H new ATOM 0 HA VAL A 827 1.393 -4.179 6.394 1.00 0.32 H new ATOM 0 HB VAL A 827 0.905 -6.201 7.671 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.157 -6.248 10.129 1.00 0.98 H new ATOM 0 HG12 VAL A 827 2.725 -6.118 9.297 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.002 -4.683 10.061 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.865 -5.307 9.141 1.00 1.22 H new ATOM 0 HG22 VAL A 827 -0.133 -3.689 9.020 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.810 -4.470 7.571 1.00 1.22 H new ATOM 808 N LEU A 828 1.548 -1.992 7.561 1.00 0.34 N ATOM 809 CA LEU A 828 1.983 -0.648 7.905 1.00 0.38 C ATOM 810 C LEU A 828 0.863 0.221 8.456 1.00 0.44 C ATOM 811 O LEU A 828 -0.314 0.027 8.153 1.00 0.48 O ATOM 812 CB LEU A 828 2.704 0.035 6.708 1.00 0.38 C ATOM 813 CG LEU A 828 1.882 0.454 5.465 1.00 0.39 C ATOM 814 CD1 LEU A 828 1.003 -0.672 4.945 1.00 1.03 C ATOM 815 CD2 LEU A 828 1.060 1.707 5.736 1.00 0.96 C ATOM 0 H LEU A 828 0.726 -2.043 6.959 1.00 0.34 H new ATOM 0 HA LEU A 828 2.703 -0.756 8.716 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.198 0.928 7.090 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.488 -0.642 6.369 1.00 0.38 H new ATOM 0 HG LEU A 828 2.603 0.686 4.681 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.447 -0.327 4.073 1.00 1.03 H new ATOM 0 HD12 LEU A 828 1.627 -1.521 4.665 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.304 -0.977 5.724 1.00 1.03 H new ATOM 0 HD21 LEU A 828 0.496 1.972 4.842 1.00 0.96 H new ATOM 0 HD22 LEU A 828 0.370 1.519 6.558 1.00 0.96 H new ATOM 0 HD23 LEU A 828 1.725 2.528 6.002 1.00 0.96 H new ATOM 827 N GLY A 829 1.263 1.136 9.326 1.00 0.53 N ATOM 828 CA GLY A 829 0.326 2.020 9.986 1.00 0.63 C ATOM 829 C GLY A 829 1.018 2.974 10.944 1.00 0.73 C ATOM 830 O GLY A 829 0.492 4.037 11.260 1.00 1.20 O ATOM 0 H GLY A 829 2.237 1.283 9.590 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.221 2.593 9.237 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.408 1.427 10.532 1.00 0.63 H new ATOM 834 N SER A 830 2.177 2.565 11.453 1.00 0.74 N ATOM 835 CA SER A 830 2.908 3.353 12.442 1.00 0.85 C ATOM 836 C SER A 830 3.562 4.599 11.831 1.00 0.98 C ATOM 837 O SER A 830 4.156 5.401 12.553 1.00 1.93 O ATOM 838 CB SER A 830 3.978 2.483 13.103 1.00 0.89 C ATOM 839 OG SER A 830 3.414 1.300 13.649 1.00 1.58 O ATOM 0 H SER A 830 2.632 1.689 11.196 1.00 0.74 H new ATOM 0 HA SER A 830 2.186 3.695 13.184 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.741 2.220 12.370 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.475 3.049 13.891 1.00 0.89 H new ATOM 0 HG SER A 830 4.120 0.762 14.064 1.00 1.58 H new ATOM 845 N ASP A 831 3.518 4.710 10.501 1.00 0.62 N ATOM 846 CA ASP A 831 4.177 5.808 9.775 1.00 0.62 C ATOM 847 C ASP A 831 5.690 5.713 9.966 1.00 0.58 C ATOM 848 O ASP A 831 6.373 6.670 10.330 1.00 0.97 O ATOM 849 CB ASP A 831 3.647 7.180 10.217 1.00 0.86 C ATOM 850 CG ASP A 831 4.010 8.294 9.245 1.00 1.20 C ATOM 851 OD1 ASP A 831 4.695 8.021 8.237 1.00 1.79 O ATOM 852 OD2 ASP A 831 3.602 9.451 9.482 1.00 1.74 O ATOM 0 H ASP A 831 3.029 4.049 9.897 1.00 0.62 H new ATOM 0 HA ASP A 831 3.946 5.708 8.714 1.00 0.62 H new ATOM 0 HB2 ASP A 831 2.563 7.130 10.317 1.00 0.86 H new ATOM 0 HB3 ASP A 831 4.047 7.419 11.202 1.00 0.86 H new ATOM 857 N GLU A 832 6.182 4.512 9.734 1.00 0.50 N ATOM 858 CA GLU A 832 7.596 4.175 9.863 1.00 0.44 C ATOM 859 C GLU A 832 7.836 2.930 9.032 1.00 0.34 C ATOM 860 O GLU A 832 8.640 2.922 8.102 1.00 0.34 O ATOM 861 CB GLU A 832 7.956 3.906 11.324 1.00 0.56 C ATOM 862 CG GLU A 832 9.378 3.413 11.520 1.00 1.41 C ATOM 863 CD GLU A 832 9.598 2.826 12.895 1.00 2.19 C ATOM 864 OE1 GLU A 832 8.929 1.829 13.234 1.00 2.93 O ATOM 865 OE2 GLU A 832 10.446 3.361 13.642 1.00 2.62 O ATOM 0 H GLU A 832 5.603 3.724 9.445 1.00 0.50 H new ATOM 0 HA GLU A 832 8.217 5.002 9.518 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.816 4.822 11.898 1.00 0.56 H new ATOM 0 HB3 GLU A 832 7.265 3.167 11.729 1.00 0.56 H new ATOM 0 HG2 GLU A 832 9.606 2.660 10.765 1.00 1.41 H new ATOM 0 HG3 GLU A 832 10.071 4.240 11.365 1.00 1.41 H new ATOM 872 N ASP A 833 6.921 1.999 9.224 1.00 0.32 N ATOM 873 CA ASP A 833 6.750 0.844 8.362 1.00 0.29 C ATOM 874 C ASP A 833 6.508 1.283 6.914 1.00 0.24 C ATOM 875 O ASP A 833 7.172 0.813 5.985 1.00 0.23 O ATOM 876 CB ASP A 833 5.562 0.023 8.889 1.00 0.38 C ATOM 877 CG ASP A 833 4.445 0.891 9.471 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.384 2.086 9.128 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.631 0.393 10.283 1.00 1.50 O ATOM 0 H ASP A 833 6.261 2.025 10.001 1.00 0.32 H new ATOM 0 HA ASP A 833 7.654 0.235 8.371 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.158 -0.583 8.078 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.916 -0.666 9.656 1.00 0.38 H new ATOM 884 N TRP A 834 5.627 2.254 6.735 1.00 0.22 N ATOM 885 CA TRP A 834 5.395 2.824 5.419 1.00 0.20 C ATOM 886 C TRP A 834 6.639 3.566 4.941 1.00 0.19 C ATOM 887 O TRP A 834 7.019 3.470 3.776 1.00 0.18 O ATOM 888 CB TRP A 834 4.189 3.770 5.425 1.00 0.23 C ATOM 889 CG TRP A 834 3.996 4.477 4.118 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.798 5.814 3.933 1.00 0.26 C ATOM 891 CD2 TRP A 834 3.998 3.887 2.810 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.691 6.095 2.593 1.00 0.26 N ATOM 893 CE2 TRP A 834 3.807 4.928 1.884 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.148 2.578 2.333 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.765 4.702 0.510 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.108 2.361 0.969 1.00 0.18 C ATOM 897 CH2 TRP A 834 3.920 3.415 0.077 1.00 0.19 C ATOM 0 H TRP A 834 5.063 2.662 7.481 1.00 0.22 H new ATOM 0 HA TRP A 834 5.178 2.005 4.733 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.289 3.202 5.661 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.317 4.509 6.216 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.735 6.545 4.725 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.548 7.021 2.191 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.292 1.755 3.018 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.616 5.513 -0.187 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.224 1.357 0.588 1.00 0.18 H new ATOM 0 HH2 TRP A 834 3.896 3.210 -0.983 1.00 0.19 H new ATOM 908 N ASN A 835 7.275 4.297 5.850 1.00 0.22 N ATOM 909 CA ASN A 835 8.469 5.064 5.514 1.00 0.25 C ATOM 910 C ASN A 835 9.560 4.168 4.941 1.00 0.21 C ATOM 911 O ASN A 835 10.082 4.438 3.858 1.00 0.21 O ATOM 912 CB ASN A 835 8.997 5.818 6.735 1.00 0.34 C ATOM 913 CG ASN A 835 10.238 6.629 6.411 1.00 1.15 C ATOM 914 OD1 ASN A 835 10.220 7.481 5.521 1.00 1.66 O ATOM 915 ND2 ASN A 835 11.321 6.359 7.121 1.00 2.00 N ATOM 0 H ASN A 835 6.984 4.375 6.825 1.00 0.22 H new ATOM 0 HA ASN A 835 8.186 5.789 4.751 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.220 6.481 7.115 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.226 5.107 7.529 1.00 0.34 H new ATOM 0 HD21 ASN A 835 12.188 6.865 6.941 1.00 2.00 H new ATOM 0 HD22 ASN A 835 11.289 5.645 7.848 1.00 2.00 H new ATOM 922 N VAL A 836 9.847 3.069 5.631 1.00 0.22 N ATOM 923 CA VAL A 836 10.846 2.122 5.161 1.00 0.25 C ATOM 924 C VAL A 836 10.411 1.503 3.830 1.00 0.19 C ATOM 925 O VAL A 836 11.230 1.344 2.928 1.00 0.19 O ATOM 926 CB VAL A 836 11.172 1.025 6.213 1.00 0.39 C ATOM 927 CG1 VAL A 836 9.978 0.134 6.502 1.00 1.36 C ATOM 928 CG2 VAL A 836 12.359 0.189 5.768 1.00 1.22 C ATOM 0 H VAL A 836 9.403 2.815 6.513 1.00 0.22 H new ATOM 0 HA VAL A 836 11.770 2.679 5.003 1.00 0.25 H new ATOM 0 HB VAL A 836 11.427 1.539 7.140 1.00 0.39 H new ATOM 0 HG11 VAL A 836 10.255 -0.616 7.242 1.00 1.36 H new ATOM 0 HG12 VAL A 836 9.157 0.739 6.888 1.00 1.36 H new ATOM 0 HG13 VAL A 836 9.663 -0.361 5.584 1.00 1.36 H new ATOM 0 HG21 VAL A 836 12.570 -0.572 6.519 1.00 1.22 H new ATOM 0 HG22 VAL A 836 12.129 -0.293 4.818 1.00 1.22 H new ATOM 0 HG23 VAL A 836 13.232 0.831 5.648 1.00 1.22 H new ATOM 938 N ALA A 837 9.107 1.258 3.669 1.00 0.16 N ATOM 939 CA ALA A 837 8.584 0.771 2.394 1.00 0.15 C ATOM 940 C ALA A 837 8.909 1.738 1.262 1.00 0.15 C ATOM 941 O ALA A 837 9.428 1.331 0.225 1.00 0.19 O ATOM 942 CB ALA A 837 7.082 0.551 2.461 1.00 0.17 C ATOM 0 H ALA A 837 8.404 1.388 4.397 1.00 0.16 H new ATOM 0 HA ALA A 837 9.069 -0.184 2.193 1.00 0.15 H new ATOM 0 HB1 ALA A 837 6.724 0.189 1.497 1.00 0.17 H new ATOM 0 HB2 ALA A 837 6.856 -0.186 3.232 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.587 1.492 2.702 1.00 0.17 H new ATOM 948 N LYS A 838 8.611 3.021 1.471 1.00 0.14 N ATOM 949 CA LYS A 838 8.880 4.044 0.461 1.00 0.19 C ATOM 950 C LYS A 838 10.349 4.040 0.068 1.00 0.20 C ATOM 951 O LYS A 838 10.685 4.033 -1.116 1.00 0.24 O ATOM 952 CB LYS A 838 8.522 5.438 0.971 1.00 0.23 C ATOM 953 CG LYS A 838 7.121 5.560 1.532 1.00 0.23 C ATOM 954 CD LYS A 838 6.751 7.015 1.796 1.00 0.40 C ATOM 955 CE LYS A 838 7.390 7.570 3.067 1.00 0.49 C ATOM 956 NZ LYS A 838 8.875 7.702 2.980 1.00 1.22 N ATOM 0 H LYS A 838 8.185 3.375 2.327 1.00 0.14 H new ATOM 0 HA LYS A 838 8.261 3.806 -0.404 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.236 5.723 1.744 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.636 6.151 0.154 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.408 5.123 0.832 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.048 4.991 2.459 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.059 7.623 0.945 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.667 7.101 1.873 1.00 0.40 H new ATOM 0 HE2 LYS A 838 6.959 8.547 3.284 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.140 6.918 3.904 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 9.187 8.503 3.565 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 9.322 6.828 3.323 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 9.151 7.868 1.991 1.00 1.22 H new ATOM 970 N GLU A 839 11.214 4.057 1.073 1.00 0.21 N ATOM 971 CA GLU A 839 12.650 4.084 0.844 1.00 0.26 C ATOM 972 C GLU A 839 13.094 2.819 0.122 1.00 0.27 C ATOM 973 O GLU A 839 13.905 2.868 -0.798 1.00 0.31 O ATOM 974 CB GLU A 839 13.401 4.226 2.168 1.00 0.32 C ATOM 975 CG GLU A 839 12.971 5.431 3.002 1.00 0.47 C ATOM 976 CD GLU A 839 12.819 6.697 2.185 1.00 1.34 C ATOM 977 OE1 GLU A 839 13.816 7.431 2.019 1.00 2.22 O ATOM 978 OE2 GLU A 839 11.701 6.960 1.690 1.00 1.85 O ATOM 0 H GLU A 839 10.944 4.053 2.057 1.00 0.21 H new ATOM 0 HA GLU A 839 12.883 4.946 0.218 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.254 3.320 2.756 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.469 4.303 1.962 1.00 0.32 H new ATOM 0 HG2 GLU A 839 12.024 5.206 3.492 1.00 0.47 H new ATOM 0 HG3 GLU A 839 13.705 5.600 3.790 1.00 0.47 H new ATOM 985 N MET A 840 12.504 1.703 0.519 1.00 0.27 N ATOM 986 CA MET A 840 12.773 0.411 -0.096 1.00 0.31 C ATOM 987 C MET A 840 12.505 0.457 -1.599 1.00 0.34 C ATOM 988 O MET A 840 13.382 0.143 -2.398 1.00 0.40 O ATOM 989 CB MET A 840 11.895 -0.651 0.570 1.00 0.32 C ATOM 990 CG MET A 840 11.965 -2.025 -0.068 1.00 0.36 C ATOM 991 SD MET A 840 10.803 -3.177 0.686 1.00 0.76 S ATOM 992 CE MET A 840 9.258 -2.310 0.410 1.00 0.35 C ATOM 0 H MET A 840 11.824 1.666 1.278 1.00 0.27 H new ATOM 0 HA MET A 840 13.824 0.159 0.046 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.184 -0.737 1.617 1.00 0.32 H new ATOM 0 HB3 MET A 840 10.860 -0.310 0.552 1.00 0.32 H new ATOM 0 HG2 MET A 840 11.753 -1.941 -1.134 1.00 0.36 H new ATOM 0 HG3 MET A 840 12.978 -2.417 0.026 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.458 -3.033 0.254 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.026 -1.694 1.279 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.350 -1.675 -0.471 1.00 0.35 H new ATOM 1002 N LEU A 841 11.317 0.914 -1.969 1.00 0.30 N ATOM 1003 CA LEU A 841 10.934 1.043 -3.372 1.00 0.35 C ATOM 1004 C LEU A 841 11.899 1.966 -4.111 1.00 0.39 C ATOM 1005 O LEU A 841 12.331 1.666 -5.221 1.00 0.50 O ATOM 1006 CB LEU A 841 9.523 1.630 -3.477 1.00 0.33 C ATOM 1007 CG LEU A 841 8.475 1.016 -2.550 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.349 2.007 -2.312 1.00 0.62 C ATOM 1009 CD2 LEU A 841 7.925 -0.278 -3.131 1.00 0.62 C ATOM 0 H LEU A 841 10.594 1.205 -1.311 1.00 0.30 H new ATOM 0 HA LEU A 841 10.963 0.051 -3.822 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.579 2.699 -3.273 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.180 1.519 -4.506 1.00 0.33 H new ATOM 0 HG LEU A 841 8.952 0.783 -1.598 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.606 1.562 -1.650 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.750 2.910 -1.852 1.00 0.62 H new ATOM 0 HD13 LEU A 841 6.881 2.262 -3.263 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.181 -0.695 -2.452 1.00 0.62 H new ATOM 0 HD22 LEU A 841 7.462 -0.075 -4.097 1.00 0.62 H new ATOM 0 HD23 LEU A 841 8.738 -0.993 -3.261 1.00 0.62 H new ATOM 1021 N ALA A 842 12.159 3.126 -3.519 1.00 0.36 N ATOM 1022 CA ALA A 842 12.978 4.153 -4.154 1.00 0.44 C ATOM 1023 C ALA A 842 14.430 3.711 -4.319 1.00 0.52 C ATOM 1024 O ALA A 842 15.014 3.866 -5.391 1.00 0.61 O ATOM 1025 CB ALA A 842 12.906 5.443 -3.354 1.00 0.47 C ATOM 0 H ALA A 842 11.812 3.380 -2.594 1.00 0.36 H new ATOM 0 HA ALA A 842 12.577 4.322 -5.153 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.520 6.204 -3.835 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.872 5.786 -3.309 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.274 5.265 -2.343 1.00 0.47 H new ATOM 1031 N GLU A 843 15.020 3.199 -3.244 1.00 0.53 N ATOM 1032 CA GLU A 843 16.421 2.782 -3.250 1.00 0.66 C ATOM 1033 C GLU A 843 16.608 1.577 -4.166 1.00 0.71 C ATOM 1034 O GLU A 843 17.496 1.554 -5.020 1.00 0.81 O ATOM 1035 CB GLU A 843 16.859 2.438 -1.819 1.00 0.71 C ATOM 1036 CG GLU A 843 18.358 2.549 -1.564 1.00 1.45 C ATOM 1037 CD GLU A 843 19.178 1.480 -2.260 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.891 0.282 -2.053 1.00 2.92 O ATOM 1039 OE2 GLU A 843 20.091 1.829 -3.040 1.00 2.43 O ATOM 0 H GLU A 843 14.547 3.061 -2.351 1.00 0.53 H new ATOM 0 HA GLU A 843 17.038 3.598 -3.626 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.337 3.098 -1.126 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.541 1.421 -1.591 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.702 3.529 -1.894 1.00 1.45 H new ATOM 0 HG3 GLU A 843 18.540 2.492 -0.491 1.00 1.45 H new ATOM 1046 N ASN A 844 15.766 0.574 -3.969 1.00 0.67 N ATOM 1047 CA ASN A 844 15.834 -0.661 -4.737 1.00 0.80 C ATOM 1048 C ASN A 844 15.462 -0.445 -6.194 1.00 0.79 C ATOM 1049 O ASN A 844 15.933 -1.188 -7.046 1.00 1.11 O ATOM 1050 CB ASN A 844 14.933 -1.728 -4.123 1.00 0.85 C ATOM 1051 CG ASN A 844 15.548 -2.359 -2.893 1.00 0.97 C ATOM 1052 OD1 ASN A 844 16.564 -3.049 -2.978 1.00 1.53 O ATOM 1053 ND2 ASN A 844 14.957 -2.103 -1.739 1.00 1.15 N ATOM 0 H ASN A 844 15.019 0.592 -3.275 1.00 0.67 H new ATOM 0 HA ASN A 844 16.869 -1.002 -4.703 1.00 0.80 H new ATOM 0 HB2 ASN A 844 13.974 -1.283 -3.859 1.00 0.85 H new ATOM 0 HB3 ASN A 844 14.732 -2.502 -4.864 1.00 0.85 H new ATOM 0 HD21 ASN A 844 15.342 -2.482 -0.874 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.116 -1.526 -1.714 1.00 1.15 H new ATOM 1060 N ASN A 845 14.494 0.459 -6.424 1.00 0.62 N ATOM 1061 CA ASN A 845 13.888 0.723 -7.750 1.00 0.71 C ATOM 1062 C ASN A 845 12.642 -0.138 -7.929 1.00 0.61 C ATOM 1063 O ASN A 845 11.835 0.082 -8.833 1.00 0.71 O ATOM 1064 CB ASN A 845 14.872 0.489 -8.919 1.00 0.92 C ATOM 1065 CG ASN A 845 14.506 -0.716 -9.784 1.00 1.38 C ATOM 1066 OD1 ASN A 845 13.720 -0.612 -10.729 1.00 1.90 O ATOM 1067 ND2 ASN A 845 15.049 -1.876 -9.449 1.00 1.48 N ATOM 0 H ASN A 845 14.101 1.039 -5.683 1.00 0.62 H new ATOM 0 HA ASN A 845 13.618 1.779 -7.775 1.00 0.71 H new ATOM 0 HB2 ASN A 845 14.901 1.381 -9.544 1.00 0.92 H new ATOM 0 HB3 ASN A 845 15.876 0.348 -8.518 1.00 0.92 H new ATOM 0 HD21 ASN A 845 14.821 -2.718 -9.978 1.00 1.48 H new ATOM 0 HD22 ASN A 845 15.696 -1.928 -8.662 1.00 1.48 H new ATOM 1074 N GLU A 846 12.489 -1.108 -7.041 1.00 0.55 N ATOM 1075 CA GLU A 846 11.368 -2.031 -7.086 1.00 0.63 C ATOM 1076 C GLU A 846 10.094 -1.343 -6.600 1.00 0.73 C ATOM 1077 O GLU A 846 9.682 -1.503 -5.454 1.00 1.49 O ATOM 1078 CB GLU A 846 11.688 -3.266 -6.247 1.00 0.77 C ATOM 1079 CG GLU A 846 13.105 -3.779 -6.464 1.00 1.40 C ATOM 1080 CD GLU A 846 13.338 -5.169 -5.906 1.00 2.19 C ATOM 1081 OE1 GLU A 846 12.832 -6.145 -6.501 1.00 2.97 O ATOM 1082 OE2 GLU A 846 14.000 -5.291 -4.853 1.00 2.54 O ATOM 0 H GLU A 846 13.137 -1.277 -6.271 1.00 0.55 H new ATOM 0 HA GLU A 846 11.200 -2.348 -8.115 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.551 -3.028 -5.192 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.979 -4.058 -6.490 1.00 0.77 H new ATOM 0 HG2 GLU A 846 13.321 -3.784 -7.532 1.00 1.40 H new ATOM 0 HG3 GLU A 846 13.808 -3.087 -6.000 1.00 1.40 H new ATOM 1089 N LYS A 847 9.568 -0.471 -7.452 1.00 0.42 N ATOM 1090 CA LYS A 847 8.429 0.379 -7.126 1.00 0.37 C ATOM 1091 C LYS A 847 7.116 -0.412 -7.109 1.00 0.35 C ATOM 1092 O LYS A 847 6.048 0.144 -6.837 1.00 0.44 O ATOM 1093 CB LYS A 847 8.369 1.522 -8.149 1.00 0.44 C ATOM 1094 CG LYS A 847 7.336 2.597 -7.856 1.00 0.63 C ATOM 1095 CD LYS A 847 7.442 3.750 -8.845 1.00 1.29 C ATOM 1096 CE LYS A 847 7.190 3.293 -10.276 1.00 1.80 C ATOM 1097 NZ LYS A 847 7.287 4.417 -11.250 1.00 2.40 N ATOM 0 H LYS A 847 9.924 -0.333 -8.398 1.00 0.42 H new ATOM 0 HA LYS A 847 8.560 0.784 -6.122 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.352 1.990 -8.205 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.161 1.099 -9.132 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.336 2.166 -7.903 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.475 2.971 -6.842 1.00 0.63 H new ATOM 0 HD2 LYS A 847 6.723 4.524 -8.579 1.00 1.29 H new ATOM 0 HD3 LYS A 847 8.433 4.198 -8.776 1.00 1.29 H new ATOM 0 HE2 LYS A 847 7.912 2.521 -10.542 1.00 1.80 H new ATOM 0 HE3 LYS A 847 6.200 2.841 -10.343 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 7.295 4.038 -12.218 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 6.470 5.050 -11.133 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 8.164 4.949 -11.080 1.00 2.40 H new ATOM 1111 N PHE A 848 7.197 -1.710 -7.378 1.00 0.32 N ATOM 1112 CA PHE A 848 6.016 -2.562 -7.352 1.00 0.30 C ATOM 1113 C PHE A 848 5.508 -2.706 -5.928 1.00 0.24 C ATOM 1114 O PHE A 848 6.236 -3.170 -5.047 1.00 0.21 O ATOM 1115 CB PHE A 848 6.318 -3.951 -7.913 1.00 0.31 C ATOM 1116 CG PHE A 848 5.106 -4.631 -8.493 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.619 -4.242 -9.731 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.461 -5.660 -7.818 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.514 -4.856 -10.282 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.353 -6.277 -8.371 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.880 -5.874 -9.603 1.00 0.52 C ATOM 0 H PHE A 848 8.064 -2.193 -7.615 1.00 0.32 H new ATOM 0 HA PHE A 848 5.256 -2.090 -7.975 1.00 0.30 H new ATOM 0 HB2 PHE A 848 7.083 -3.866 -8.684 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.732 -4.574 -7.120 1.00 0.31 H new ATOM 0 HD1 PHE A 848 5.112 -3.447 -10.271 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.827 -5.981 -6.854 1.00 0.35 H new ATOM 0 HE1 PHE A 848 3.145 -4.539 -11.246 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.858 -7.075 -7.838 1.00 0.42 H new ATOM 0 HZ PHE A 848 2.015 -6.355 -10.034 1.00 0.52 H new ATOM 1131 N LEU A 849 4.242 -2.387 -5.728 1.00 0.22 N ATOM 1132 CA LEU A 849 3.631 -2.531 -4.426 1.00 0.18 C ATOM 1133 C LEU A 849 2.336 -3.320 -4.545 1.00 0.17 C ATOM 1134 O LEU A 849 1.593 -3.199 -5.517 1.00 0.19 O ATOM 1135 CB LEU A 849 3.362 -1.160 -3.791 1.00 0.20 C ATOM 1136 CG LEU A 849 3.117 -1.174 -2.281 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.351 -1.674 -1.549 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.751 0.216 -1.798 1.00 0.55 C ATOM 0 H LEU A 849 3.620 -2.027 -6.452 1.00 0.22 H new ATOM 0 HA LEU A 849 4.321 -3.073 -3.780 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.212 -0.509 -3.998 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.494 -0.716 -4.279 1.00 0.20 H new ATOM 0 HG LEU A 849 2.289 -1.850 -2.069 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.161 -1.678 -0.476 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.585 -2.686 -1.880 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.194 -1.017 -1.766 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.579 0.194 -0.722 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.566 0.905 -2.021 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.845 0.550 -2.303 1.00 0.55 H new ATOM 1150 N ASN A 850 2.094 -4.143 -3.557 1.00 0.16 N ATOM 1151 CA ASN A 850 0.899 -4.959 -3.502 1.00 0.17 C ATOM 1152 C ASN A 850 0.250 -4.750 -2.154 1.00 0.17 C ATOM 1153 O ASN A 850 0.934 -4.422 -1.193 1.00 0.16 O ATOM 1154 CB ASN A 850 1.230 -6.438 -3.707 1.00 0.19 C ATOM 1155 CG ASN A 850 1.700 -6.745 -5.110 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.950 -6.612 -6.074 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.949 -7.159 -5.235 1.00 0.45 N ATOM 0 H ASN A 850 2.721 -4.270 -2.762 1.00 0.16 H new ATOM 0 HA ASN A 850 0.219 -4.665 -4.302 1.00 0.17 H new ATOM 0 HB2 ASN A 850 2.002 -6.734 -2.997 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.347 -7.037 -3.486 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.323 -7.381 -6.158 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.539 -7.256 -4.409 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.063 -4.801 -2.103 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.767 -4.493 -0.873 1.00 0.21 C ATOM 1166 C ILE A 851 -2.686 -5.638 -0.530 1.00 0.24 C ATOM 1167 O ILE A 851 -3.513 -6.043 -1.342 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.649 -3.225 -0.986 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.151 -2.265 -2.065 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.723 -2.508 0.350 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.791 -1.654 -1.794 1.00 0.28 C ATOM 0 H ILE A 851 -1.662 -5.050 -2.890 1.00 0.18 H new ATOM 0 HA ILE A 851 -1.005 -4.325 -0.111 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.646 -3.557 -1.276 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.111 -2.798 -3.015 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.878 -1.461 -2.180 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.347 -1.619 0.252 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -3.155 -3.174 1.097 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.720 -2.215 0.662 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.522 -0.988 -2.613 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.825 -1.089 -0.863 1.00 0.28 H new ATOM 0 HD13 ILE A 851 -0.046 -2.446 -1.711 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.535 -6.172 0.661 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.374 -7.251 1.086 1.00 0.37 C ATOM 1185 C ARG A 852 -4.309 -6.800 2.186 1.00 0.39 C ATOM 1186 O ARG A 852 -3.870 -6.326 3.237 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.558 -8.441 1.565 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.426 -9.594 2.037 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.599 -10.788 2.456 1.00 0.70 C ATOM 1190 NE ARG A 852 -2.057 -11.514 1.309 1.00 1.27 N ATOM 1191 CZ ARG A 852 -1.236 -12.560 1.405 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -0.792 -12.960 2.593 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -0.839 -13.190 0.305 1.00 2.38 N ATOM 0 H ARG A 852 -1.840 -5.873 1.345 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.959 -7.563 0.221 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.914 -8.784 0.756 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.906 -8.125 2.379 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.041 -9.266 2.875 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -4.107 -9.887 1.238 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.780 -10.455 3.093 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -3.213 -11.462 3.053 1.00 0.70 H new ATOM 0 HE ARG A 852 -2.324 -11.200 0.376 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -1.079 -12.466 3.438 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.164 -13.761 2.659 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -1.162 -12.873 -0.609 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -0.211 -13.991 0.374 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.576 -7.088 1.999 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.550 -6.914 3.049 1.00 0.54 C ATOM 1209 C LEU A 853 -6.817 -8.281 3.651 1.00 0.63 C ATOM 1210 O LEU A 853 -6.870 -9.272 2.922 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.844 -6.310 2.519 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.743 -4.967 1.773 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.858 -3.984 2.519 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -7.246 -5.165 0.346 1.00 1.56 C ATOM 0 H LEU A 853 -5.957 -7.446 1.123 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.163 -6.224 3.799 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.304 -7.035 1.848 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.524 -6.178 3.361 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.747 -4.545 1.726 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.808 -3.046 1.965 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -7.274 -3.799 3.509 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -5.856 -4.400 2.619 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -7.185 -4.199 -0.155 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -6.259 -5.627 0.365 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -7.938 -5.811 -0.194 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.846 -8.370 4.966 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.979 -9.655 5.621 1.00 1.08 C ATOM 1228 C TYR A 854 -7.565 -9.467 7.009 1.00 1.25 C ATOM 1229 O TYR A 854 -8.010 -10.463 7.611 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.614 -10.360 5.690 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.606 -9.683 6.595 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -3.920 -8.549 6.177 1.00 0.90 C ATOM 1233 CD2 TYR A 854 -4.345 -10.177 7.865 1.00 0.88 C ATOM 1234 CE1 TYR A 854 -3.002 -7.929 7.002 1.00 0.86 C ATOM 1235 CE2 TYR A 854 -3.430 -9.563 8.694 1.00 0.93 C ATOM 1236 CZ TYR A 854 -2.751 -8.444 8.253 1.00 0.79 C ATOM 1237 OH TYR A 854 -1.848 -7.822 9.087 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.619 -8.308 7.471 1.00 1.77 O ATOM 0 H TYR A 854 -6.780 -7.573 5.598 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.655 -10.285 5.043 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.764 -11.383 6.035 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -5.198 -10.420 4.684 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -4.107 -8.147 5.192 1.00 0.90 H new ATOM 0 HD2 TYR A 854 -4.867 -11.057 8.210 1.00 0.88 H new ATOM 0 HE1 TYR A 854 -2.483 -7.043 6.666 1.00 0.86 H new ATOM 0 HE2 TYR A 854 -3.245 -9.955 9.683 1.00 0.93 H new ATOM 0 HH TYR A 854 -1.790 -8.315 9.932 1.00 0.92 H new TER 1248 TYR A 854