USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 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 814 THR OG1 : rot -24:sc= 1.12 USER MOD Set 1.2: A 815 LYS NZ :NH3+ 157:sc= -0.0266 (180deg=-0.249) USER MOD Set 2.1: A 796 MET CE :methyl 147:sc= -2.57! (180deg=-5.03!) USER MOD Set 2.2: A 799 ASN : amide:sc= -2.46 X(o=-5,f=-4.9) USER MOD Single : A 778 SER OG : rot 34:sc= 0.283 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0.0417) USER MOD Single : A 790 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.23) USER MOD Single : A 800 SER OG : rot -80:sc= 1.1 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot -90:sc= 1.16 USER MOD Single : A 804 ASN : amide:sc= -1.84! C(o=-1.8!,f=-5.4!) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 807 ASN : amide:sc= -0.0176 K(o=-0.018,f=0.86) USER MOD Single : A 808 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.64) USER MOD Single : A 809 ASN : amide:sc= -3.44 K(o=-3.4,f=-2.6!) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 170:sc= -0.562 USER MOD Single : A 819 GLN : amide:sc= -2.8 K(o=-2.8,f=-4.9!) USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -1.18! K(o=-1.2!,f=-0.0016) USER MOD Single : A 838 LYS NZ :NH3+ -109:sc= -0.486 (180deg=-2.35!) USER MOD Single : A 840 MET CE :methyl -138:sc= -3.37! (180deg=-5.07!) USER MOD Single : A 844 ASN : amide:sc= 0.128 X(o=0.13,f=-0.028) USER MOD Single : A 845 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.57) USER MOD Single : A 847 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.16) USER MOD Single : A 850 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.8!) USER MOD Single : A 854 TYR OH : rot 30:sc= -0.164 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -8.602 -11.670 2.380 1.00 2.40 N ATOM 2 CA SER A 778 -7.235 -11.784 1.826 1.00 2.10 C ATOM 3 C SER A 778 -7.220 -11.472 0.336 1.00 1.16 C ATOM 4 O SER A 778 -6.506 -12.111 -0.440 1.00 1.09 O ATOM 5 CB SER A 778 -6.745 -13.204 2.097 1.00 2.58 C ATOM 6 OG SER A 778 -6.919 -13.535 3.465 1.00 3.17 O ATOM 0 HA SER A 778 -6.573 -11.061 2.302 1.00 2.10 H new ATOM 0 HB2 SER A 778 -7.293 -13.910 1.473 1.00 2.58 H new ATOM 0 HB3 SER A 778 -5.693 -13.290 1.827 1.00 2.58 H new ATOM 0 HG SER A 778 -7.727 -13.098 3.807 1.00 3.17 H new ATOM 14 N GLU A 779 -7.928 -10.416 -0.044 1.00 0.78 N ATOM 15 CA GLU A 779 -7.895 -9.946 -1.417 1.00 0.85 C ATOM 16 C GLU A 779 -6.590 -9.210 -1.678 1.00 0.75 C ATOM 17 O GLU A 779 -6.179 -8.354 -0.888 1.00 1.17 O ATOM 18 CB GLU A 779 -9.100 -9.046 -1.723 1.00 1.60 C ATOM 19 CG GLU A 779 -9.286 -7.892 -0.746 1.00 1.95 C ATOM 20 CD GLU A 779 -10.420 -6.963 -1.137 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.045 -7.184 -2.197 1.00 3.25 O ATOM 22 OE2 GLU A 779 -10.697 -6.005 -0.383 1.00 2.92 O ATOM 0 H GLU A 779 -8.528 -9.873 0.577 1.00 0.78 H new ATOM 0 HA GLU A 779 -7.953 -10.808 -2.081 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -8.990 -8.641 -2.729 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -10.003 -9.656 -1.723 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -9.478 -8.293 0.249 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -8.360 -7.321 -0.686 1.00 1.95 H new ATOM 29 N ILE A 780 -5.898 -9.610 -2.730 1.00 0.62 N ATOM 30 CA ILE A 780 -4.629 -9.000 -3.076 1.00 0.43 C ATOM 31 C ILE A 780 -4.858 -7.771 -3.950 1.00 0.37 C ATOM 32 O ILE A 780 -5.747 -7.750 -4.802 1.00 0.49 O ATOM 33 CB ILE A 780 -3.676 -10.000 -3.784 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.338 -9.334 -4.134 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.323 -10.578 -5.034 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.516 -8.925 -2.926 1.00 0.51 C ATOM 0 H ILE A 780 -6.195 -10.356 -3.359 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.146 -8.696 -2.148 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.480 -10.817 -3.090 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.751 -10.021 -4.744 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.532 -8.452 -4.744 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.634 -11.275 -5.511 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.239 -11.102 -4.761 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.560 -9.771 -5.727 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.587 -8.462 -3.258 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.082 -8.213 -2.325 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.289 -9.806 -2.326 1.00 0.51 H new ATOM 48 N PHE A 781 -4.119 -6.725 -3.659 1.00 0.28 N ATOM 49 CA PHE A 781 -4.264 -5.455 -4.342 1.00 0.26 C ATOM 50 C PHE A 781 -2.901 -5.010 -4.844 1.00 0.22 C ATOM 51 O PHE A 781 -1.881 -5.394 -4.281 1.00 0.21 O ATOM 52 CB PHE A 781 -4.869 -4.423 -3.383 1.00 0.29 C ATOM 53 CG PHE A 781 -5.071 -3.065 -3.982 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.602 -2.937 -5.251 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.738 -1.922 -3.280 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.800 -1.695 -5.811 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.936 -0.676 -3.833 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.418 -0.547 -5.078 1.00 0.52 C ATOM 0 H PHE A 781 -3.396 -6.729 -2.939 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.935 -5.555 -5.195 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.829 -4.796 -3.026 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.220 -4.330 -2.512 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.865 -3.822 -5.811 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.319 -2.007 -2.288 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.239 -1.599 -6.793 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.700 0.207 -3.258 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.514 0.433 -5.521 1.00 0.52 H new ATOM 68 N THR A 782 -2.869 -4.356 -5.990 1.00 0.23 N ATOM 69 CA THR A 782 -1.607 -4.008 -6.615 1.00 0.23 C ATOM 70 C THR A 782 -1.562 -2.522 -6.945 1.00 0.23 C ATOM 71 O THR A 782 -2.529 -1.957 -7.455 1.00 0.25 O ATOM 72 CB THR A 782 -1.388 -4.834 -7.893 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.494 -6.231 -7.583 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.024 -4.546 -8.501 1.00 1.34 C ATOM 0 H THR A 782 -3.697 -4.057 -6.504 1.00 0.23 H new ATOM 0 HA THR A 782 -0.808 -4.235 -5.909 1.00 0.23 H new ATOM 0 HB THR A 782 -2.152 -4.557 -8.620 1.00 0.29 H new ATOM 0 HG1 THR A 782 -1.356 -6.758 -8.398 1.00 1.39 H new ATOM 0 HG21 THR A 782 0.105 -5.143 -9.404 1.00 1.34 H new ATOM 0 HG22 THR A 782 0.046 -3.488 -8.753 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.756 -4.800 -7.783 1.00 1.34 H new ATOM 82 N LEU A 783 -0.495 -1.883 -6.502 1.00 0.22 N ATOM 83 CA LEU A 783 -0.342 -0.447 -6.614 1.00 0.21 C ATOM 84 C LEU A 783 1.141 -0.120 -6.720 1.00 0.21 C ATOM 85 O LEU A 783 1.964 -0.850 -6.191 1.00 0.23 O ATOM 86 CB LEU A 783 -0.964 0.230 -5.393 1.00 0.26 C ATOM 87 CG LEU A 783 -1.630 1.581 -5.655 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.692 1.459 -6.739 1.00 0.83 C ATOM 89 CD2 LEU A 783 -2.244 2.113 -4.373 1.00 0.61 C ATOM 0 H LEU A 783 0.293 -2.349 -6.052 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.852 -0.079 -7.504 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.706 -0.444 -4.965 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.187 0.368 -4.641 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.870 2.281 -6.002 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -3.152 2.432 -6.909 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -2.231 1.110 -7.663 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -3.455 0.747 -6.423 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -2.716 3.076 -4.568 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.992 1.409 -4.008 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -1.465 2.237 -3.621 1.00 0.61 H new ATOM 101 N LEU A 784 1.503 0.913 -7.449 1.00 0.20 N ATOM 102 CA LEU A 784 2.913 1.226 -7.622 1.00 0.22 C ATOM 103 C LEU A 784 3.170 2.664 -7.221 1.00 0.21 C ATOM 104 O LEU A 784 2.424 3.571 -7.592 1.00 0.23 O ATOM 105 CB LEU A 784 3.374 0.986 -9.068 1.00 0.29 C ATOM 106 CG LEU A 784 3.613 -0.479 -9.462 1.00 0.91 C ATOM 107 CD1 LEU A 784 2.300 -1.207 -9.706 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.500 -0.558 -10.693 1.00 1.45 C ATOM 0 H LEU A 784 0.858 1.543 -7.925 1.00 0.20 H new ATOM 0 HA LEU A 784 3.489 0.560 -6.980 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.627 1.406 -9.741 1.00 0.29 H new ATOM 0 HB3 LEU A 784 4.298 1.541 -9.231 1.00 0.29 H new ATOM 0 HG LEU A 784 4.119 -0.971 -8.631 1.00 0.91 H new ATOM 0 HD11 LEU A 784 2.504 -2.241 -9.983 1.00 1.53 H new ATOM 0 HD12 LEU A 784 1.698 -1.186 -8.797 1.00 1.53 H new ATOM 0 HD13 LEU A 784 1.756 -0.716 -10.513 1.00 1.53 H new ATOM 0 HD21 LEU A 784 4.660 -1.603 -10.960 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.018 -0.042 -11.523 1.00 1.45 H new ATOM 0 HD23 LEU A 784 5.460 -0.087 -10.481 1.00 1.45 H new ATOM 120 N VAL A 785 4.076 2.806 -6.263 1.00 0.22 N ATOM 121 CA VAL A 785 4.302 4.068 -5.572 1.00 0.25 C ATOM 122 C VAL A 785 4.971 5.093 -6.479 1.00 0.34 C ATOM 123 O VAL A 785 6.196 5.211 -6.512 1.00 0.79 O ATOM 124 CB VAL A 785 5.144 3.856 -4.300 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.856 4.939 -3.280 1.00 0.95 C ATOM 126 CG2 VAL A 785 4.893 2.477 -3.706 1.00 1.10 C ATOM 0 H VAL A 785 4.677 2.047 -5.942 1.00 0.22 H new ATOM 0 HA VAL A 785 3.325 4.458 -5.285 1.00 0.25 H new ATOM 0 HB VAL A 785 6.196 3.918 -4.577 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.461 4.770 -2.389 1.00 0.95 H new ATOM 0 HG12 VAL A 785 5.099 5.913 -3.705 1.00 0.95 H new ATOM 0 HG13 VAL A 785 3.800 4.914 -3.011 1.00 0.95 H new ATOM 0 HG21 VAL A 785 5.499 2.352 -2.809 1.00 1.10 H new ATOM 0 HG22 VAL A 785 3.838 2.378 -3.448 1.00 1.10 H new ATOM 0 HG23 VAL A 785 5.161 1.712 -4.435 1.00 1.10 H new ATOM 136 N GLU A 786 4.157 5.768 -7.279 1.00 0.69 N ATOM 137 CA GLU A 786 4.654 6.717 -8.263 1.00 0.81 C ATOM 138 C GLU A 786 5.276 7.943 -7.606 1.00 0.87 C ATOM 139 O GLU A 786 6.410 8.307 -7.911 1.00 1.56 O ATOM 140 CB GLU A 786 3.523 7.168 -9.188 1.00 0.99 C ATOM 141 CG GLU A 786 2.848 6.041 -9.947 1.00 1.51 C ATOM 142 CD GLU A 786 3.820 5.235 -10.774 1.00 2.26 C ATOM 143 OE1 GLU A 786 4.631 5.836 -11.502 1.00 2.59 O ATOM 144 OE2 GLU A 786 3.784 3.986 -10.696 1.00 3.06 O ATOM 0 H GLU A 786 3.141 5.674 -7.264 1.00 0.69 H new ATOM 0 HA GLU A 786 5.425 6.205 -8.839 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.773 7.692 -8.596 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.921 7.886 -9.905 1.00 0.99 H new ATOM 0 HG2 GLU A 786 2.345 5.382 -9.240 1.00 1.51 H new ATOM 0 HG3 GLU A 786 2.079 6.456 -10.599 1.00 1.51 H new ATOM 151 N LYS A 787 4.483 8.656 -6.816 1.00 0.91 N ATOM 152 CA LYS A 787 4.919 9.941 -6.278 1.00 1.01 C ATOM 153 C LYS A 787 5.302 9.841 -4.800 1.00 0.96 C ATOM 154 O LYS A 787 5.205 10.825 -4.068 1.00 1.58 O ATOM 155 CB LYS A 787 3.817 10.989 -6.481 1.00 1.17 C ATOM 156 CG LYS A 787 2.579 10.773 -5.621 1.00 1.21 C ATOM 157 CD LYS A 787 1.425 11.649 -6.080 1.00 1.35 C ATOM 158 CE LYS A 787 0.370 11.802 -4.997 1.00 1.27 C ATOM 159 NZ LYS A 787 0.759 12.815 -3.977 1.00 1.80 N ATOM 0 H LYS A 787 3.545 8.372 -6.535 1.00 0.91 H new ATOM 0 HA LYS A 787 5.813 10.247 -6.821 1.00 1.01 H new ATOM 0 HB2 LYS A 787 4.227 11.976 -6.266 1.00 1.17 H new ATOM 0 HB3 LYS A 787 3.521 10.989 -7.530 1.00 1.17 H new ATOM 0 HG2 LYS A 787 2.282 9.725 -5.665 1.00 1.21 H new ATOM 0 HG3 LYS A 787 2.814 10.994 -4.580 1.00 1.21 H new ATOM 0 HD2 LYS A 787 1.804 12.632 -6.361 1.00 1.35 H new ATOM 0 HD3 LYS A 787 0.971 11.216 -6.971 1.00 1.35 H new ATOM 0 HE2 LYS A 787 -0.577 12.091 -5.452 1.00 1.27 H new ATOM 0 HE3 LYS A 787 0.209 10.840 -4.510 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 0.303 12.588 -3.070 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 1.792 12.807 -3.856 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.454 13.758 -4.291 1.00 1.80 H new ATOM 173 N VAL A 788 5.826 8.678 -4.402 1.00 0.66 N ATOM 174 CA VAL A 788 6.316 8.462 -3.032 1.00 0.61 C ATOM 175 C VAL A 788 5.300 8.943 -1.989 1.00 0.70 C ATOM 176 O VAL A 788 5.470 9.990 -1.363 1.00 1.70 O ATOM 177 CB VAL A 788 7.675 9.155 -2.792 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.267 8.725 -1.459 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.640 8.848 -3.925 1.00 1.21 C ATOM 0 H VAL A 788 5.923 7.866 -5.011 1.00 0.66 H new ATOM 0 HA VAL A 788 6.453 7.387 -2.919 1.00 0.61 H new ATOM 0 HB VAL A 788 7.509 10.232 -2.764 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.224 9.224 -1.308 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.585 8.997 -0.653 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.417 7.645 -1.459 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.592 9.345 -3.737 1.00 1.21 H new ATOM 0 HG22 VAL A 788 8.799 7.771 -3.986 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.223 9.207 -4.866 1.00 1.21 H new ATOM 189 N TRP A 789 4.201 8.215 -1.892 1.00 0.50 N ATOM 190 CA TRP A 789 3.082 8.576 -1.025 1.00 0.33 C ATOM 191 C TRP A 789 3.506 8.761 0.431 1.00 0.29 C ATOM 192 O TRP A 789 4.189 7.913 0.989 1.00 0.34 O ATOM 193 CB TRP A 789 2.032 7.474 -1.099 1.00 0.32 C ATOM 194 CG TRP A 789 1.624 7.143 -2.496 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.337 8.018 -3.499 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.481 5.837 -3.047 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.008 7.330 -4.638 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.090 5.991 -4.385 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.646 4.549 -2.534 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.857 4.905 -5.217 1.00 0.44 C ATOM 201 CZ3 TRP A 789 1.420 3.473 -3.360 1.00 0.40 C ATOM 202 CH2 TRP A 789 1.030 3.655 -4.689 1.00 0.44 C ATOM 0 H TRP A 789 4.055 7.351 -2.414 1.00 0.50 H new ATOM 0 HA TRP A 789 2.684 9.529 -1.374 1.00 0.33 H new ATOM 0 HB2 TRP A 789 2.422 6.576 -0.619 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.152 7.781 -0.534 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.364 9.094 -3.410 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.745 7.750 -5.529 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.946 4.400 -1.507 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.550 5.042 -6.244 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 1.546 2.472 -2.975 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.861 2.790 -5.313 1.00 0.44 H new ATOM 213 N ASN A 790 2.953 9.776 1.084 1.00 0.29 N ATOM 214 CA ASN A 790 3.157 9.975 2.519 1.00 0.32 C ATOM 215 C ASN A 790 2.060 9.241 3.301 1.00 0.37 C ATOM 216 O ASN A 790 1.428 9.806 4.196 1.00 0.82 O ATOM 217 CB ASN A 790 3.154 11.475 2.856 1.00 0.39 C ATOM 218 CG ASN A 790 3.577 11.797 4.287 1.00 1.20 C ATOM 219 OD1 ASN A 790 3.528 12.953 4.708 1.00 2.06 O ATOM 220 ND2 ASN A 790 4.019 10.800 5.038 1.00 1.79 N ATOM 0 H ASN A 790 2.358 10.477 0.644 1.00 0.29 H new ATOM 0 HA ASN A 790 4.126 9.566 2.804 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.822 11.992 2.167 1.00 0.39 H new ATOM 0 HB3 ASN A 790 2.153 11.872 2.687 1.00 0.39 H new ATOM 0 HD21 ASN A 790 4.330 10.980 5.993 1.00 1.79 H new ATOM 0 HD22 ASN A 790 4.048 9.852 4.662 1.00 1.79 H new ATOM 227 N PHE A 791 1.812 7.994 2.896 1.00 0.30 N ATOM 228 CA PHE A 791 0.784 7.127 3.494 1.00 0.25 C ATOM 229 C PHE A 791 -0.629 7.606 3.162 1.00 0.23 C ATOM 230 O PHE A 791 -1.444 6.831 2.676 1.00 0.21 O ATOM 231 CB PHE A 791 0.961 7.012 5.012 1.00 0.28 C ATOM 232 CG PHE A 791 0.016 6.041 5.664 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.023 4.700 5.314 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.873 6.468 6.638 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.840 3.807 5.920 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.736 5.579 7.247 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.720 4.247 6.888 1.00 0.42 C ATOM 0 H PHE A 791 2.324 7.548 2.134 1.00 0.30 H new ATOM 0 HA PHE A 791 0.916 6.138 3.055 1.00 0.25 H new ATOM 0 HB2 PHE A 791 1.985 6.707 5.226 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.821 7.996 5.460 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.711 4.349 4.559 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.891 7.509 6.924 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.826 2.765 5.636 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.423 5.926 8.004 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.394 3.550 7.363 1.00 0.42 H new ATOM 247 N ASP A 792 -0.900 8.883 3.386 1.00 0.26 N ATOM 248 CA ASP A 792 -2.210 9.461 3.094 1.00 0.29 C ATOM 249 C ASP A 792 -2.516 9.341 1.604 1.00 0.25 C ATOM 250 O ASP A 792 -3.608 8.931 1.213 1.00 0.26 O ATOM 251 CB ASP A 792 -2.241 10.931 3.528 1.00 0.38 C ATOM 252 CG ASP A 792 -3.640 11.521 3.547 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.232 11.674 2.460 1.00 1.74 O ATOM 254 OD2 ASP A 792 -4.157 11.839 4.640 1.00 1.86 O ATOM 0 H ASP A 792 -0.227 9.546 3.772 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.972 8.915 3.650 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.803 11.019 4.522 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.617 11.516 2.852 1.00 0.38 H new ATOM 259 N ASP A 793 -1.500 9.594 0.785 1.00 0.24 N ATOM 260 CA ASP A 793 -1.613 9.465 -0.665 1.00 0.23 C ATOM 261 C ASP A 793 -1.845 8.009 -1.032 1.00 0.19 C ATOM 262 O ASP A 793 -2.646 7.690 -1.911 1.00 0.18 O ATOM 263 CB ASP A 793 -0.334 9.948 -1.362 1.00 0.28 C ATOM 264 CG ASP A 793 0.253 11.205 -0.762 1.00 0.75 C ATOM 265 OD1 ASP A 793 0.721 11.151 0.394 1.00 1.36 O ATOM 266 OD2 ASP A 793 0.278 12.242 -1.451 1.00 1.16 O ATOM 0 H ASP A 793 -0.579 9.893 1.105 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.451 10.079 -0.994 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.412 9.155 -1.321 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.551 10.127 -2.415 1.00 0.28 H new ATOM 271 N LEU A 794 -1.131 7.138 -0.332 1.00 0.18 N ATOM 272 CA LEU A 794 -1.226 5.703 -0.524 1.00 0.17 C ATOM 273 C LEU A 794 -2.629 5.211 -0.167 1.00 0.16 C ATOM 274 O LEU A 794 -3.267 4.522 -0.957 1.00 0.16 O ATOM 275 CB LEU A 794 -0.134 5.016 0.322 1.00 0.19 C ATOM 276 CG LEU A 794 -0.362 3.546 0.686 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.499 2.685 -0.561 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.781 3.037 1.557 1.00 0.22 C ATOM 0 H LEU A 794 -0.465 7.413 0.390 1.00 0.18 H new ATOM 0 HA LEU A 794 -1.061 5.449 -1.571 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.810 5.089 -0.218 1.00 0.19 H new ATOM 0 HB3 LEU A 794 -0.016 5.580 1.247 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.294 3.477 1.246 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.660 1.647 -0.270 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.347 3.032 -1.151 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.412 2.758 -1.156 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.608 1.991 1.810 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.721 3.128 1.013 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.832 3.627 2.472 1.00 0.22 H new ATOM 290 N ILE A 795 -3.145 5.673 0.966 1.00 0.18 N ATOM 291 CA ILE A 795 -4.505 5.347 1.382 1.00 0.20 C ATOM 292 C ILE A 795 -5.525 5.888 0.380 1.00 0.19 C ATOM 293 O ILE A 795 -6.419 5.163 -0.048 1.00 0.20 O ATOM 294 CB ILE A 795 -4.812 5.904 2.794 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.907 5.240 3.835 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.277 5.698 3.155 1.00 0.51 C ATOM 297 CD1 ILE A 795 -4.073 3.736 3.918 1.00 0.48 C ATOM 0 H ILE A 795 -2.641 6.277 1.615 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.582 4.260 1.415 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.613 6.976 2.788 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.868 5.469 3.599 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.115 5.674 4.813 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.466 6.098 4.151 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.906 6.215 2.431 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.509 4.633 3.142 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.400 3.337 4.677 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -5.103 3.498 4.185 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.836 3.290 2.952 1.00 0.48 H new ATOM 309 N MET A 796 -5.337 7.136 -0.039 1.00 0.22 N ATOM 310 CA MET A 796 -6.210 7.761 -1.034 1.00 0.26 C ATOM 311 C MET A 796 -6.254 6.949 -2.323 1.00 0.22 C ATOM 312 O MET A 796 -7.331 6.691 -2.870 1.00 0.23 O ATOM 313 CB MET A 796 -5.738 9.183 -1.345 1.00 0.38 C ATOM 314 CG MET A 796 -6.199 10.232 -0.343 1.00 0.93 C ATOM 315 SD MET A 796 -7.911 10.753 -0.598 1.00 2.03 S ATOM 316 CE MET A 796 -8.822 9.348 0.041 1.00 2.69 C ATOM 0 H MET A 796 -4.585 7.739 0.295 1.00 0.22 H new ATOM 0 HA MET A 796 -7.214 7.796 -0.611 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.649 9.191 -1.385 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.096 9.463 -2.336 1.00 0.38 H new ATOM 0 HG2 MET A 796 -6.093 9.833 0.666 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.547 11.103 -0.411 1.00 0.93 H new ATOM 0 HE1 MET A 796 -9.753 9.692 0.490 1.00 2.69 H new ATOM 0 HE2 MET A 796 -9.045 8.658 -0.773 1.00 2.69 H new ATOM 0 HE3 MET A 796 -8.222 8.838 0.795 1.00 2.69 H new ATOM 326 N ALA A 797 -5.085 6.521 -2.783 1.00 0.21 N ATOM 327 CA ALA A 797 -4.986 5.710 -3.987 1.00 0.22 C ATOM 328 C ALA A 797 -5.715 4.387 -3.794 1.00 0.21 C ATOM 329 O ALA A 797 -6.523 3.985 -4.628 1.00 0.26 O ATOM 330 CB ALA A 797 -3.527 5.470 -4.349 1.00 0.27 C ATOM 0 H ALA A 797 -4.190 6.724 -2.338 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.458 6.248 -4.809 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.471 4.862 -5.252 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.034 6.426 -4.525 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.030 4.950 -3.530 1.00 0.27 H new ATOM 336 N ILE A 798 -5.485 3.758 -2.648 1.00 0.20 N ATOM 337 CA ILE A 798 -6.158 2.513 -2.304 1.00 0.26 C ATOM 338 C ILE A 798 -7.676 2.697 -2.277 1.00 0.27 C ATOM 339 O ILE A 798 -8.413 1.925 -2.886 1.00 0.33 O ATOM 340 CB ILE A 798 -5.693 1.980 -0.930 1.00 0.31 C ATOM 341 CG1 ILE A 798 -4.208 1.612 -0.966 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.521 0.775 -0.524 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.670 1.137 0.368 1.00 0.67 C ATOM 0 H ILE A 798 -4.834 4.093 -1.938 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.894 1.789 -3.075 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.835 2.769 -0.192 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -4.054 0.831 -1.710 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.635 2.480 -1.292 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -6.182 0.411 0.446 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.571 1.061 -0.458 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.406 -0.013 -1.268 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.612 0.894 0.268 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.792 1.925 1.111 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -4.218 0.250 0.686 1.00 0.67 H new ATOM 355 N ASN A 799 -8.131 3.713 -1.553 1.00 0.27 N ATOM 356 CA ASN A 799 -9.559 3.987 -1.401 1.00 0.33 C ATOM 357 C ASN A 799 -10.251 4.124 -2.751 1.00 0.31 C ATOM 358 O ASN A 799 -11.269 3.473 -3.009 1.00 0.40 O ATOM 359 CB ASN A 799 -9.773 5.276 -0.606 1.00 0.40 C ATOM 360 CG ASN A 799 -9.367 5.168 0.852 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.242 6.180 1.538 1.00 1.21 O ATOM 362 ND2 ASN A 799 -9.179 3.949 1.345 1.00 0.70 N ATOM 0 H ASN A 799 -7.526 4.368 -1.057 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.993 3.141 -0.867 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.204 6.080 -1.074 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.825 5.556 -0.661 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -8.922 3.829 2.325 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.292 3.133 0.744 1.00 0.70 H new ATOM 369 N SER A 800 -9.712 4.994 -3.593 1.00 0.30 N ATOM 370 CA SER A 800 -10.301 5.269 -4.895 1.00 0.35 C ATOM 371 C SER A 800 -10.206 4.057 -5.818 1.00 0.33 C ATOM 372 O SER A 800 -11.136 3.771 -6.574 1.00 0.41 O ATOM 373 CB SER A 800 -9.614 6.481 -5.526 1.00 0.44 C ATOM 374 OG SER A 800 -8.204 6.375 -5.428 1.00 1.29 O ATOM 0 H SER A 800 -8.863 5.524 -3.396 1.00 0.30 H new ATOM 0 HA SER A 800 -11.359 5.489 -4.753 1.00 0.35 H new ATOM 0 HB2 SER A 800 -9.904 6.563 -6.574 1.00 0.44 H new ATOM 0 HB3 SER A 800 -9.949 7.392 -5.030 1.00 0.44 H new ATOM 0 HG SER A 800 -7.918 6.636 -4.528 1.00 1.29 H new ATOM 380 N LYS A 801 -9.060 3.391 -5.798 1.00 0.29 N ATOM 381 CA LYS A 801 -8.813 2.255 -6.675 1.00 0.36 C ATOM 382 C LYS A 801 -9.699 1.068 -6.299 1.00 0.43 C ATOM 383 O LYS A 801 -10.280 0.418 -7.168 1.00 0.58 O ATOM 384 CB LYS A 801 -7.345 1.849 -6.602 1.00 0.43 C ATOM 385 CG LYS A 801 -6.906 0.907 -7.709 1.00 0.86 C ATOM 386 CD LYS A 801 -6.689 1.637 -9.024 1.00 1.06 C ATOM 387 CE LYS A 801 -5.588 2.681 -8.911 1.00 1.13 C ATOM 388 NZ LYS A 801 -5.304 3.332 -10.216 1.00 1.95 N ATOM 0 H LYS A 801 -8.282 3.620 -5.180 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.056 2.554 -7.695 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.729 2.747 -6.638 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.158 1.373 -5.639 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -5.983 0.407 -7.415 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -7.659 0.131 -7.845 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -6.431 0.918 -9.801 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -7.617 2.119 -9.331 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -5.880 3.439 -8.184 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -4.679 2.211 -8.535 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.548 4.036 -10.095 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.001 2.613 -10.904 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -6.164 3.803 -10.563 1.00 1.95 H new ATOM 402 N ILE A 802 -9.790 0.782 -5.001 1.00 0.39 N ATOM 403 CA ILE A 802 -10.605 -0.328 -4.517 1.00 0.52 C ATOM 404 C ILE A 802 -12.084 -0.080 -4.812 1.00 0.70 C ATOM 405 O ILE A 802 -12.785 -0.970 -5.294 1.00 1.56 O ATOM 406 CB ILE A 802 -10.387 -0.593 -3.002 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.985 -1.170 -2.771 1.00 0.64 C ATOM 408 CG2 ILE A 802 -11.444 -1.537 -2.442 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.739 -1.639 -1.351 1.00 0.71 C ATOM 0 H ILE A 802 -9.310 1.303 -4.268 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.285 -1.222 -5.053 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.479 0.357 -2.476 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.831 -2.008 -3.451 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.244 -0.412 -3.026 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -11.260 -1.700 -1.380 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -12.432 -1.097 -2.576 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.396 -2.490 -2.969 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.726 -2.033 -1.268 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.859 -0.801 -0.665 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -9.455 -2.421 -1.097 1.00 0.71 H new ATOM 421 N SER A 803 -12.521 1.160 -4.644 1.00 1.05 N ATOM 422 CA SER A 803 -13.874 1.535 -5.024 1.00 1.14 C ATOM 423 C SER A 803 -13.918 1.939 -6.508 1.00 1.66 C ATOM 424 O SER A 803 -13.355 1.243 -7.356 1.00 2.28 O ATOM 425 CB SER A 803 -14.396 2.655 -4.111 1.00 2.03 C ATOM 426 OG SER A 803 -13.632 3.842 -4.240 1.00 2.88 O ATOM 0 H SER A 803 -11.963 1.918 -4.250 1.00 1.05 H new ATOM 0 HA SER A 803 -14.532 0.676 -4.896 1.00 1.14 H new ATOM 0 HB2 SER A 803 -15.437 2.866 -4.354 1.00 2.03 H new ATOM 0 HB3 SER A 803 -14.372 2.319 -3.074 1.00 2.03 H new ATOM 0 HG SER A 803 -12.893 3.827 -3.596 1.00 2.88 H new ATOM 432 N ASN A 804 -14.525 3.090 -6.808 1.00 2.33 N ATOM 433 CA ASN A 804 -14.576 3.610 -8.174 1.00 3.40 C ATOM 434 C ASN A 804 -15.253 4.975 -8.219 1.00 3.88 C ATOM 435 O ASN A 804 -14.925 5.813 -9.058 1.00 4.66 O ATOM 436 CB ASN A 804 -15.287 2.645 -9.136 1.00 4.12 C ATOM 437 CG ASN A 804 -16.625 2.148 -8.622 1.00 4.56 C ATOM 438 OD1 ASN A 804 -17.552 2.918 -8.387 1.00 5.02 O ATOM 439 ND2 ASN A 804 -16.721 0.849 -8.432 1.00 4.87 N ATOM 0 H ASN A 804 -14.990 3.681 -6.119 1.00 2.33 H new ATOM 0 HA ASN A 804 -13.542 3.714 -8.504 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -15.438 3.145 -10.093 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -14.639 1.789 -9.323 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -17.589 0.448 -8.077 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -15.927 0.243 -8.640 1.00 4.87 H new ATOM 446 N THR A 805 -16.218 5.189 -7.339 1.00 3.74 N ATOM 447 CA THR A 805 -16.953 6.442 -7.325 1.00 4.53 C ATOM 448 C THR A 805 -17.417 6.799 -5.912 1.00 4.65 C ATOM 449 O THR A 805 -17.361 7.957 -5.517 1.00 5.32 O ATOM 450 CB THR A 805 -18.158 6.401 -8.304 1.00 4.91 C ATOM 451 OG1 THR A 805 -18.700 7.719 -8.479 1.00 5.49 O ATOM 452 CG2 THR A 805 -19.258 5.464 -7.819 1.00 4.80 C ATOM 0 H THR A 805 -16.509 4.516 -6.630 1.00 3.74 H new ATOM 0 HA THR A 805 -16.271 7.222 -7.663 1.00 4.53 H new ATOM 0 HB THR A 805 -17.786 6.022 -9.256 1.00 4.91 H new ATOM 0 HG1 THR A 805 -19.458 7.681 -9.099 1.00 5.49 H new ATOM 0 HG21 THR A 805 -20.080 5.467 -8.535 1.00 4.80 H new ATOM 0 HG22 THR A 805 -18.861 4.453 -7.727 1.00 4.80 H new ATOM 0 HG23 THR A 805 -19.621 5.801 -6.848 1.00 4.80 H new ATOM 460 N HIS A 806 -17.816 5.798 -5.133 1.00 4.26 N ATOM 461 CA HIS A 806 -18.223 6.026 -3.754 1.00 4.59 C ATOM 462 C HIS A 806 -17.012 5.982 -2.826 1.00 4.36 C ATOM 463 O HIS A 806 -15.904 6.352 -3.221 1.00 4.80 O ATOM 464 CB HIS A 806 -19.267 4.987 -3.321 1.00 5.01 C ATOM 465 CG HIS A 806 -20.598 5.145 -3.991 1.00 5.39 C ATOM 466 ND1 HIS A 806 -21.347 6.296 -3.911 1.00 5.99 N ATOM 467 CD2 HIS A 806 -21.314 4.287 -4.752 1.00 5.63 C ATOM 468 CE1 HIS A 806 -22.467 6.141 -4.590 1.00 6.49 C ATOM 469 NE2 HIS A 806 -22.474 4.929 -5.112 1.00 6.32 N ATOM 0 H HIS A 806 -17.865 4.825 -5.434 1.00 4.26 H new ATOM 0 HA HIS A 806 -18.674 7.016 -3.688 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -18.881 3.990 -3.532 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -19.405 5.053 -2.242 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -21.027 3.283 -5.026 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -23.246 6.881 -4.700 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -23.218 4.534 -5.688 1.00 6.32 H new ATOM 478 N ASN A 807 -17.197 5.420 -1.643 1.00 4.08 N ATOM 479 CA ASN A 807 -16.119 5.242 -0.704 1.00 4.33 C ATOM 480 C ASN A 807 -16.253 3.875 -0.075 1.00 3.86 C ATOM 481 O ASN A 807 -16.458 3.750 1.132 1.00 4.10 O ATOM 482 CB ASN A 807 -16.109 6.355 0.361 1.00 4.87 C ATOM 483 CG ASN A 807 -17.492 6.701 0.900 1.00 5.24 C ATOM 484 OD1 ASN A 807 -18.168 5.875 1.516 1.00 5.49 O ATOM 485 ND2 ASN A 807 -17.917 7.936 0.684 1.00 5.72 N ATOM 0 H ASN A 807 -18.099 5.077 -1.314 1.00 4.08 H new ATOM 0 HA ASN A 807 -15.165 5.310 -1.228 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -15.473 6.046 1.190 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -15.661 7.252 -0.068 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -18.830 8.229 1.032 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -17.331 8.594 0.170 1.00 5.72 H new ATOM 492 N ASN A 808 -16.204 2.847 -0.941 1.00 3.63 N ATOM 493 CA ASN A 808 -16.367 1.443 -0.530 1.00 3.49 C ATOM 494 C ASN A 808 -15.577 1.170 0.735 1.00 2.65 C ATOM 495 O ASN A 808 -16.087 0.560 1.676 1.00 3.08 O ATOM 496 CB ASN A 808 -15.917 0.488 -1.639 1.00 4.33 C ATOM 497 CG ASN A 808 -16.864 0.455 -2.826 1.00 4.99 C ATOM 498 OD1 ASN A 808 -16.583 -0.190 -3.835 1.00 5.77 O ATOM 499 ND2 ASN A 808 -17.993 1.142 -2.718 1.00 5.03 N ATOM 0 H ASN A 808 -16.051 2.967 -1.942 1.00 3.63 H new ATOM 0 HA ASN A 808 -17.426 1.271 -0.336 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -14.926 0.783 -1.982 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -15.826 -0.517 -1.228 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -18.663 1.147 -3.488 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -18.192 1.665 -1.865 1.00 5.03 H new ATOM 506 N ASN A 809 -14.449 1.850 0.846 1.00 1.96 N ATOM 507 CA ASN A 809 -13.758 1.927 2.108 1.00 1.56 C ATOM 508 C ASN A 809 -12.823 3.129 2.147 1.00 1.72 C ATOM 509 O ASN A 809 -12.003 3.325 1.252 1.00 2.42 O ATOM 510 CB ASN A 809 -13.006 0.617 2.446 1.00 1.91 C ATOM 511 CG ASN A 809 -11.982 0.145 1.405 1.00 2.28 C ATOM 512 OD1 ASN A 809 -11.311 -0.862 1.611 1.00 3.06 O ATOM 513 ND2 ASN A 809 -11.844 0.851 0.296 1.00 2.55 N ATOM 0 H ASN A 809 -14.000 2.351 0.080 1.00 1.96 H new ATOM 0 HA ASN A 809 -14.516 2.062 2.880 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -12.492 0.751 3.398 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -13.741 -0.175 2.589 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -11.168 0.562 -0.411 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -12.413 1.684 0.148 1.00 2.55 H new ATOM 520 N ILE A 810 -12.971 3.932 3.188 1.00 1.83 N ATOM 521 CA ILE A 810 -12.094 5.070 3.415 1.00 2.18 C ATOM 522 C ILE A 810 -10.893 4.588 4.213 1.00 1.94 C ATOM 523 O ILE A 810 -9.757 5.004 3.991 1.00 2.25 O ATOM 524 CB ILE A 810 -12.809 6.222 4.155 1.00 2.63 C ATOM 525 CG1 ILE A 810 -11.898 7.447 4.260 1.00 3.05 C ATOM 526 CG2 ILE A 810 -13.282 5.787 5.537 1.00 3.04 C ATOM 527 CD1 ILE A 810 -11.587 8.088 2.923 1.00 3.44 C ATOM 0 H ILE A 810 -13.697 3.815 3.895 1.00 1.83 H new ATOM 0 HA ILE A 810 -11.780 5.472 2.451 1.00 2.18 H new ATOM 0 HB ILE A 810 -13.689 6.493 3.571 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -12.370 8.186 4.907 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -10.964 7.155 4.739 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -13.781 6.621 6.030 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -13.979 4.955 5.438 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -12.425 5.473 6.133 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -10.937 8.950 3.075 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -11.086 7.364 2.280 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -12.514 8.412 2.450 1.00 3.44 H new ATOM 539 N SER A 811 -11.136 3.554 4.990 1.00 1.61 N ATOM 540 CA SER A 811 -10.072 2.838 5.638 1.00 1.34 C ATOM 541 C SER A 811 -10.081 1.407 5.126 1.00 1.12 C ATOM 542 O SER A 811 -11.064 0.686 5.300 1.00 1.24 O ATOM 543 CB SER A 811 -10.246 2.880 7.154 1.00 1.36 C ATOM 544 OG SER A 811 -10.392 4.213 7.613 1.00 1.89 O ATOM 0 H SER A 811 -12.070 3.193 5.185 1.00 1.61 H new ATOM 0 HA SER A 811 -9.112 3.302 5.409 1.00 1.34 H new ATOM 0 HB2 SER A 811 -11.121 2.296 7.439 1.00 1.36 H new ATOM 0 HB3 SER A 811 -9.384 2.419 7.635 1.00 1.36 H new ATOM 0 HG SER A 811 -10.504 4.213 8.587 1.00 1.89 H new ATOM 550 N PRO A 812 -9.039 1.026 4.379 1.00 0.88 N ATOM 551 CA PRO A 812 -8.938 -0.294 3.753 1.00 0.80 C ATOM 552 C PRO A 812 -8.688 -1.383 4.786 1.00 0.77 C ATOM 553 O PRO A 812 -7.584 -1.911 4.882 1.00 0.82 O ATOM 554 CB PRO A 812 -7.746 -0.162 2.789 1.00 0.77 C ATOM 555 CG PRO A 812 -7.425 1.297 2.736 1.00 0.75 C ATOM 556 CD PRO A 812 -7.908 1.887 4.027 1.00 0.82 C ATOM 0 HA PRO A 812 -9.859 -0.581 3.245 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.891 -0.738 3.143 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.999 -0.543 1.800 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.353 1.454 2.615 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.915 1.771 1.886 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.133 1.870 4.794 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.214 2.926 3.907 1.00 0.82 H new ATOM 564 N ILE A 813 -9.669 -1.575 5.667 1.00 0.87 N ATOM 565 CA ILE A 813 -9.564 -2.504 6.800 1.00 0.96 C ATOM 566 C ILE A 813 -8.689 -1.915 7.911 1.00 0.96 C ATOM 567 O ILE A 813 -8.734 -2.381 9.045 1.00 1.64 O ATOM 568 CB ILE A 813 -8.985 -3.887 6.381 1.00 1.06 C ATOM 569 CG1 ILE A 813 -9.731 -4.456 5.167 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.050 -4.881 7.535 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.198 -4.733 5.419 1.00 1.67 C ATOM 0 H ILE A 813 -10.565 -1.090 5.618 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.579 -2.654 7.167 1.00 0.96 H new ATOM 0 HB ILE A 813 -7.941 -3.731 6.109 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -9.642 -3.755 4.337 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -9.245 -5.381 4.856 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -8.639 -5.838 7.214 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -8.470 -4.501 8.376 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.087 -5.016 7.841 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -11.654 -5.133 4.513 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.298 -5.459 6.226 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.700 -3.807 5.699 1.00 1.67 H new ATOM 583 N THR A 814 -7.765 -1.030 7.511 1.00 0.83 N ATOM 584 CA THR A 814 -6.687 -0.488 8.358 1.00 0.84 C ATOM 585 C THR A 814 -5.610 -1.546 8.580 1.00 0.71 C ATOM 586 O THR A 814 -4.419 -1.237 8.637 1.00 1.08 O ATOM 587 CB THR A 814 -7.153 0.104 9.723 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.553 -0.923 10.638 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.300 1.085 9.530 1.00 1.90 C ATOM 0 H THR A 814 -7.744 -0.659 6.561 1.00 0.83 H new ATOM 0 HA THR A 814 -6.284 0.359 7.803 1.00 0.84 H new ATOM 0 HB THR A 814 -6.298 0.630 10.147 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.823 -1.721 10.137 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.605 1.483 10.498 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.975 1.903 8.888 1.00 1.90 H new ATOM 0 HG23 THR A 814 -9.143 0.573 9.066 1.00 1.90 H new ATOM 597 N LYS A 815 -6.028 -2.804 8.567 1.00 0.61 N ATOM 598 CA LYS A 815 -5.116 -3.933 8.633 1.00 0.82 C ATOM 599 C LYS A 815 -4.546 -4.241 7.256 1.00 0.88 C ATOM 600 O LYS A 815 -4.653 -5.364 6.763 1.00 1.68 O ATOM 601 CB LYS A 815 -5.836 -5.159 9.193 1.00 1.16 C ATOM 602 CG LYS A 815 -6.284 -4.984 10.631 1.00 1.29 C ATOM 603 CD LYS A 815 -5.112 -4.608 11.516 1.00 1.45 C ATOM 604 CE LYS A 815 -5.283 -3.227 12.124 1.00 1.74 C ATOM 605 NZ LYS A 815 -6.477 -3.145 13.006 1.00 2.52 N ATOM 0 H LYS A 815 -7.011 -3.069 8.510 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.292 -3.674 9.297 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.705 -5.377 8.572 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.174 -6.022 9.128 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -7.051 -4.211 10.687 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -6.736 -5.908 10.991 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -5.007 -5.345 12.312 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -4.192 -4.636 10.932 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -4.392 -2.972 12.697 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.371 -2.489 11.326 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -6.355 -2.365 13.683 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -7.324 -2.973 12.428 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -6.588 -4.040 13.525 1.00 2.52 H new ATOM 619 N ILE A 816 -3.972 -3.234 6.626 1.00 0.43 N ATOM 620 CA ILE A 816 -3.371 -3.408 5.320 1.00 0.34 C ATOM 621 C ILE A 816 -1.976 -4.002 5.446 1.00 0.30 C ATOM 622 O ILE A 816 -1.205 -3.669 6.358 1.00 0.33 O ATOM 623 CB ILE A 816 -3.292 -2.094 4.510 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.620 -0.977 5.317 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.674 -1.668 4.058 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.416 0.299 4.529 1.00 1.06 C ATOM 0 H ILE A 816 -3.910 -2.287 6.999 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.023 -4.092 4.777 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.677 -2.281 3.629 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -3.227 -0.759 6.196 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.654 -1.331 5.677 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.601 -0.741 3.489 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.107 -2.446 3.430 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.309 -1.510 4.930 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.936 1.045 5.162 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.784 0.096 3.665 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.381 0.676 4.191 1.00 1.06 H new ATOM 638 N LYS A 817 -1.634 -4.816 4.476 1.00 0.26 N ATOM 639 CA LYS A 817 -0.336 -5.447 4.419 1.00 0.24 C ATOM 640 C LYS A 817 0.249 -5.142 3.063 1.00 0.23 C ATOM 641 O LYS A 817 -0.492 -4.939 2.114 1.00 0.24 O ATOM 642 CB LYS A 817 -0.488 -6.956 4.615 1.00 0.33 C ATOM 643 CG LYS A 817 0.801 -7.670 4.963 1.00 0.74 C ATOM 644 CD LYS A 817 0.534 -9.099 5.404 1.00 0.68 C ATOM 645 CE LYS A 817 1.825 -9.859 5.643 1.00 1.18 C ATOM 646 NZ LYS A 817 1.596 -11.130 6.386 1.00 1.35 N ATOM 0 H LYS A 817 -2.250 -5.061 3.701 1.00 0.26 H new ATOM 0 HA LYS A 817 0.320 -5.073 5.205 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.215 -7.137 5.406 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -0.896 -7.390 3.702 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.464 -7.671 4.098 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.315 -7.131 5.759 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.060 -9.094 6.318 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.055 -9.611 4.643 1.00 0.68 H new ATOM 0 HE2 LYS A 817 2.299 -10.079 4.686 1.00 1.18 H new ATOM 0 HE3 LYS A 817 2.517 -9.231 6.204 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.504 -11.618 6.528 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 1.168 -10.920 7.310 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.956 -11.741 5.839 1.00 1.35 H new ATOM 660 N TYR A 818 1.546 -4.959 2.995 1.00 0.20 N ATOM 661 CA TYR A 818 2.158 -4.493 1.773 1.00 0.19 C ATOM 662 C TYR A 818 3.278 -5.419 1.358 1.00 0.18 C ATOM 663 O TYR A 818 3.878 -6.114 2.175 1.00 0.19 O ATOM 664 CB TYR A 818 2.653 -3.043 1.913 1.00 0.20 C ATOM 665 CG TYR A 818 3.982 -2.870 2.623 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.180 -3.047 1.949 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.033 -2.569 3.980 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.390 -2.928 2.601 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.238 -2.439 4.639 1.00 0.27 C ATOM 670 CZ TYR A 818 6.419 -2.487 3.904 1.00 0.26 C ATOM 671 OH TYR A 818 7.623 -2.506 4.596 1.00 0.30 O ATOM 0 H TYR A 818 2.194 -5.124 3.765 1.00 0.20 H new ATOM 0 HA TYR A 818 1.401 -4.501 0.988 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.734 -2.608 0.917 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.897 -2.470 2.450 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.166 -3.282 0.895 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.112 -2.435 4.528 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.309 -3.179 2.092 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.265 -2.302 5.710 1.00 0.27 H new ATOM 0 HH TYR A 818 7.521 -2.023 5.443 1.00 0.30 H new ATOM 681 N GLN A 819 3.411 -5.546 0.066 1.00 0.17 N ATOM 682 CA GLN A 819 4.325 -6.480 -0.542 1.00 0.19 C ATOM 683 C GLN A 819 5.154 -5.763 -1.585 1.00 0.19 C ATOM 684 O GLN A 819 4.688 -4.809 -2.198 1.00 0.18 O ATOM 685 CB GLN A 819 3.552 -7.651 -1.168 1.00 0.22 C ATOM 686 CG GLN A 819 4.377 -8.493 -2.130 1.00 0.35 C ATOM 687 CD GLN A 819 3.625 -9.694 -2.659 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.507 -9.578 -3.153 1.00 1.08 O ATOM 689 NE2 GLN A 819 4.243 -10.858 -2.566 1.00 0.90 N ATOM 0 H GLN A 819 2.879 -4.995 -0.607 1.00 0.17 H new ATOM 0 HA GLN A 819 4.990 -6.886 0.220 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.176 -8.292 -0.371 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.684 -7.258 -1.698 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.694 -7.872 -2.968 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.281 -8.831 -1.624 1.00 0.35 H new ATOM 0 HE21 GLN A 819 5.172 -10.910 -2.148 1.00 0.90 H new ATOM 0 HE22 GLN A 819 3.791 -11.704 -2.912 1.00 0.90 H new ATOM 698 N ASP A 820 6.396 -6.172 -1.727 1.00 0.22 N ATOM 699 CA ASP A 820 7.315 -5.480 -2.605 1.00 0.24 C ATOM 700 C ASP A 820 7.921 -6.453 -3.597 1.00 0.28 C ATOM 701 O ASP A 820 8.147 -7.624 -3.272 1.00 0.38 O ATOM 702 CB ASP A 820 8.420 -4.801 -1.788 1.00 0.31 C ATOM 703 CG ASP A 820 9.292 -5.782 -1.020 1.00 0.96 C ATOM 704 OD1 ASP A 820 10.110 -6.486 -1.649 1.00 1.38 O ATOM 705 OD2 ASP A 820 9.162 -5.853 0.219 1.00 1.73 O ATOM 0 H ASP A 820 6.793 -6.979 -1.246 1.00 0.22 H new ATOM 0 HA ASP A 820 6.766 -4.715 -3.154 1.00 0.24 H new ATOM 0 HB2 ASP A 820 9.049 -4.215 -2.458 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.965 -4.103 -1.085 1.00 0.31 H new ATOM 710 N GLU A 821 7.993 -6.000 -4.850 1.00 0.28 N ATOM 711 CA GLU A 821 8.464 -6.813 -5.974 1.00 0.38 C ATOM 712 C GLU A 821 7.678 -8.125 -6.086 1.00 0.85 C ATOM 713 O GLU A 821 8.161 -9.105 -6.656 1.00 0.63 O ATOM 714 CB GLU A 821 9.967 -7.092 -5.821 1.00 1.20 C ATOM 715 CG GLU A 821 10.666 -7.480 -7.118 1.00 1.63 C ATOM 716 CD GLU A 821 10.670 -6.363 -8.144 1.00 2.62 C ATOM 717 OE1 GLU A 821 9.579 -5.964 -8.598 1.00 3.38 O ATOM 718 OE2 GLU A 821 11.762 -5.870 -8.500 1.00 3.04 O ATOM 0 H GLU A 821 7.724 -5.053 -5.116 1.00 0.28 H new ATOM 0 HA GLU A 821 8.297 -6.254 -6.895 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.450 -6.204 -5.413 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.104 -7.892 -5.094 1.00 1.20 H new ATOM 0 HG2 GLU A 821 11.694 -7.768 -6.898 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.173 -8.355 -7.543 1.00 1.63 H new ATOM 725 N ASP A 822 6.454 -8.122 -5.547 1.00 1.90 N ATOM 726 CA ASP A 822 5.578 -9.300 -5.553 1.00 2.86 C ATOM 727 C ASP A 822 6.312 -10.525 -4.998 1.00 2.24 C ATOM 728 O ASP A 822 6.343 -11.585 -5.621 1.00 2.49 O ATOM 729 CB ASP A 822 5.054 -9.585 -6.969 1.00 3.96 C ATOM 730 CG ASP A 822 3.911 -10.589 -6.985 1.00 5.04 C ATOM 731 OD1 ASP A 822 2.851 -10.307 -6.384 1.00 5.63 O ATOM 732 OD2 ASP A 822 4.069 -11.670 -7.589 1.00 5.45 O ATOM 0 H ASP A 822 6.043 -7.305 -5.095 1.00 1.90 H new ATOM 0 HA ASP A 822 4.725 -9.088 -4.908 1.00 2.86 H new ATOM 0 HB2 ASP A 822 4.718 -8.652 -7.422 1.00 3.96 H new ATOM 0 HB3 ASP A 822 5.871 -9.962 -7.585 1.00 3.96 H new ATOM 737 N GLY A 823 7.005 -10.340 -3.879 1.00 1.39 N ATOM 738 CA GLY A 823 7.817 -11.415 -3.341 1.00 0.79 C ATOM 739 C GLY A 823 7.850 -11.461 -1.820 1.00 0.74 C ATOM 740 O GLY A 823 7.987 -12.535 -1.233 1.00 0.91 O ATOM 0 H GLY A 823 7.019 -9.474 -3.340 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.438 -12.366 -3.715 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.836 -11.309 -3.714 1.00 0.79 H new ATOM 744 N ASP A 824 7.811 -10.298 -1.182 1.00 0.55 N ATOM 745 CA ASP A 824 7.962 -10.220 0.275 1.00 0.53 C ATOM 746 C ASP A 824 6.826 -9.419 0.891 1.00 0.40 C ATOM 747 O ASP A 824 6.232 -8.584 0.221 1.00 0.32 O ATOM 748 CB ASP A 824 9.316 -9.611 0.645 1.00 0.61 C ATOM 749 CG ASP A 824 9.605 -9.696 2.131 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.263 -10.724 2.755 1.00 1.42 O ATOM 751 OD2 ASP A 824 10.126 -8.713 2.698 1.00 1.47 O ATOM 0 H ASP A 824 7.677 -9.398 -1.643 1.00 0.55 H new ATOM 0 HA ASP A 824 7.922 -11.232 0.677 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.104 -10.125 0.095 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.338 -8.567 0.333 1.00 0.61 H new ATOM 756 N PHE A 825 6.436 -9.779 2.109 1.00 0.43 N ATOM 757 CA PHE A 825 5.242 -9.215 2.734 1.00 0.38 C ATOM 758 C PHE A 825 5.562 -8.589 4.083 1.00 0.40 C ATOM 759 O PHE A 825 6.300 -9.143 4.900 1.00 0.47 O ATOM 760 CB PHE A 825 4.185 -10.299 2.970 1.00 0.47 C ATOM 761 CG PHE A 825 3.255 -10.552 1.819 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.099 -9.809 1.665 1.00 0.55 C ATOM 763 CD2 PHE A 825 3.567 -11.506 0.862 1.00 0.91 C ATOM 764 CE1 PHE A 825 1.266 -10.017 0.582 1.00 0.80 C ATOM 765 CE2 PHE A 825 2.741 -11.715 -0.224 1.00 1.16 C ATOM 766 CZ PHE A 825 1.479 -11.069 -0.254 1.00 1.04 C ATOM 0 H PHE A 825 6.930 -10.460 2.685 1.00 0.43 H new ATOM 0 HA PHE A 825 4.865 -8.454 2.050 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.694 -11.231 3.216 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.591 -10.020 3.841 1.00 0.47 H new ATOM 0 HD1 PHE A 825 1.844 -9.058 2.399 1.00 0.55 H new ATOM 0 HD2 PHE A 825 4.468 -12.093 0.968 1.00 0.91 H new ATOM 0 HE1 PHE A 825 0.443 -9.342 0.399 1.00 0.80 H new ATOM 0 HE2 PHE A 825 3.050 -12.358 -1.035 1.00 1.16 H new ATOM 0 HZ PHE A 825 0.703 -11.405 -0.926 1.00 1.04 H new ATOM 776 N VAL A 826 5.010 -7.404 4.273 1.00 0.35 N ATOM 777 CA VAL A 826 5.209 -6.593 5.464 1.00 0.39 C ATOM 778 C VAL A 826 3.892 -5.901 5.798 1.00 0.31 C ATOM 779 O VAL A 826 3.104 -5.645 4.904 1.00 0.29 O ATOM 780 CB VAL A 826 6.295 -5.518 5.250 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.542 -4.746 6.528 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.589 -6.124 4.737 1.00 0.95 C ATOM 0 H VAL A 826 4.395 -6.967 3.587 1.00 0.35 H new ATOM 0 HA VAL A 826 5.535 -7.244 6.275 1.00 0.39 H new ATOM 0 HB VAL A 826 5.928 -4.828 4.490 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.311 -3.993 6.355 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.620 -4.257 6.842 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.873 -5.431 7.309 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.330 -5.336 4.598 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.962 -6.850 5.459 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.405 -6.621 3.784 1.00 0.95 H new ATOM 792 N VAL A 827 3.602 -5.671 7.063 1.00 0.33 N ATOM 793 CA VAL A 827 2.310 -5.109 7.436 1.00 0.32 C ATOM 794 C VAL A 827 2.500 -3.844 8.261 1.00 0.35 C ATOM 795 O VAL A 827 3.419 -3.754 9.072 1.00 0.40 O ATOM 796 CB VAL A 827 1.471 -6.132 8.232 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.173 -6.538 9.522 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.085 -5.586 8.528 1.00 1.22 C ATOM 0 H VAL A 827 4.231 -5.860 7.844 1.00 0.33 H new ATOM 0 HA VAL A 827 1.775 -4.861 6.519 1.00 0.32 H new ATOM 0 HB VAL A 827 1.363 -7.022 7.612 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.557 -7.259 10.060 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.137 -6.989 9.285 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.328 -5.657 10.145 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.485 -6.326 9.089 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.172 -4.672 9.116 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.428 -5.367 7.591 1.00 1.22 H new ATOM 808 N LEU A 828 1.730 -2.814 7.935 1.00 0.34 N ATOM 809 CA LEU A 828 1.940 -1.505 8.534 1.00 0.38 C ATOM 810 C LEU A 828 0.646 -0.933 9.091 1.00 0.44 C ATOM 811 O LEU A 828 -0.426 -1.519 8.932 1.00 0.48 O ATOM 812 CB LEU A 828 2.566 -0.537 7.507 1.00 0.38 C ATOM 813 CG LEU A 828 1.791 -0.332 6.194 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.602 0.595 6.385 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.704 0.224 5.117 1.00 0.96 C ATOM 0 H LEU A 828 0.962 -2.859 7.266 1.00 0.34 H new ATOM 0 HA LEU A 828 2.632 -1.626 9.367 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.689 0.435 7.985 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.564 -0.900 7.261 1.00 0.38 H new ATOM 0 HG LEU A 828 1.417 -1.307 5.882 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.079 0.716 5.436 1.00 1.03 H new ATOM 0 HD12 LEU A 828 -0.078 0.168 7.122 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.951 1.567 6.734 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.138 0.362 4.196 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.108 1.183 5.442 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.523 -0.473 4.939 1.00 0.96 H new ATOM 827 N GLY A 829 0.759 0.227 9.719 1.00 0.53 N ATOM 828 CA GLY A 829 -0.403 0.898 10.263 1.00 0.63 C ATOM 829 C GLY A 829 -0.094 2.318 10.687 1.00 0.73 C ATOM 830 O GLY A 829 -0.937 3.207 10.568 1.00 1.20 O ATOM 0 H GLY A 829 1.641 0.719 9.862 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -1.198 0.908 9.517 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.777 0.337 11.120 1.00 0.63 H new ATOM 834 N SER A 830 1.096 2.520 11.239 1.00 0.74 N ATOM 835 CA SER A 830 1.489 3.829 11.737 1.00 0.85 C ATOM 836 C SER A 830 2.110 4.693 10.630 1.00 0.98 C ATOM 837 O SER A 830 1.418 5.503 10.010 1.00 1.93 O ATOM 838 CB SER A 830 2.451 3.663 12.915 1.00 0.89 C ATOM 839 OG SER A 830 1.888 2.825 13.913 1.00 1.58 O ATOM 0 H SER A 830 1.804 1.794 11.352 1.00 0.74 H new ATOM 0 HA SER A 830 0.596 4.351 12.080 1.00 0.85 H new ATOM 0 HB2 SER A 830 3.391 3.237 12.565 1.00 0.89 H new ATOM 0 HB3 SER A 830 2.682 4.639 13.342 1.00 0.89 H new ATOM 0 HG SER A 830 2.520 2.731 14.656 1.00 1.58 H new ATOM 845 N ASP A 831 3.413 4.530 10.388 1.00 0.62 N ATOM 846 CA ASP A 831 4.110 5.341 9.387 1.00 0.62 C ATOM 847 C ASP A 831 5.486 4.759 9.077 1.00 0.58 C ATOM 848 O ASP A 831 5.872 4.640 7.919 1.00 0.97 O ATOM 849 CB ASP A 831 4.275 6.782 9.898 1.00 0.86 C ATOM 850 CG ASP A 831 4.662 7.770 8.809 1.00 1.20 C ATOM 851 OD1 ASP A 831 4.557 7.430 7.613 1.00 1.79 O ATOM 852 OD2 ASP A 831 5.027 8.918 9.148 1.00 1.74 O ATOM 0 H ASP A 831 4.003 3.850 10.867 1.00 0.62 H new ATOM 0 HA ASP A 831 3.512 5.339 8.476 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.341 7.106 10.356 1.00 0.86 H new ATOM 0 HB3 ASP A 831 5.035 6.798 10.679 1.00 0.86 H new ATOM 857 N GLU A 832 6.231 4.451 10.134 1.00 0.50 N ATOM 858 CA GLU A 832 7.618 3.991 10.025 1.00 0.44 C ATOM 859 C GLU A 832 7.788 2.846 9.026 1.00 0.34 C ATOM 860 O GLU A 832 8.689 2.882 8.187 1.00 0.34 O ATOM 861 CB GLU A 832 8.115 3.558 11.402 1.00 0.56 C ATOM 862 CG GLU A 832 9.561 3.103 11.422 1.00 1.41 C ATOM 863 CD GLU A 832 9.989 2.612 12.787 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.150 2.586 13.711 1.00 2.93 O ATOM 865 OE2 GLU A 832 11.173 2.249 12.944 1.00 2.62 O ATOM 0 H GLU A 832 5.892 4.512 11.094 1.00 0.50 H new ATOM 0 HA GLU A 832 8.210 4.826 9.650 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.997 4.389 12.097 1.00 0.56 H new ATOM 0 HB3 GLU A 832 7.485 2.746 11.766 1.00 0.56 H new ATOM 0 HG2 GLU A 832 9.699 2.306 10.692 1.00 1.41 H new ATOM 0 HG3 GLU A 832 10.204 3.929 11.117 1.00 1.41 H new ATOM 872 N ASP A 833 6.951 1.819 9.134 1.00 0.32 N ATOM 873 CA ASP A 833 7.059 0.652 8.254 1.00 0.29 C ATOM 874 C ASP A 833 6.861 1.059 6.797 1.00 0.24 C ATOM 875 O ASP A 833 7.566 0.595 5.900 1.00 0.23 O ATOM 876 CB ASP A 833 6.050 -0.428 8.646 1.00 0.38 C ATOM 877 CG ASP A 833 6.679 -1.811 8.699 1.00 1.21 C ATOM 878 OD1 ASP A 833 7.808 -1.973 8.195 1.00 2.14 O ATOM 879 OD2 ASP A 833 6.040 -2.745 9.230 1.00 1.50 O ATOM 0 H ASP A 833 6.194 1.767 9.816 1.00 0.32 H new ATOM 0 HA ASP A 833 8.061 0.238 8.368 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.623 -0.188 9.620 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.228 -0.432 7.930 1.00 0.38 H new ATOM 884 N TRP A 834 5.965 2.006 6.581 1.00 0.22 N ATOM 885 CA TRP A 834 5.768 2.570 5.258 1.00 0.20 C ATOM 886 C TRP A 834 6.986 3.388 4.837 1.00 0.19 C ATOM 887 O TRP A 834 7.418 3.317 3.689 1.00 0.18 O ATOM 888 CB TRP A 834 4.511 3.437 5.230 1.00 0.23 C ATOM 889 CG TRP A 834 4.274 4.102 3.913 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.004 5.418 3.703 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.286 3.482 2.623 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.854 5.657 2.362 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.019 4.486 1.679 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.497 2.176 2.175 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.962 4.229 0.314 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.441 1.923 0.821 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.173 2.943 -0.095 1.00 0.19 C ATOM 0 H TRP A 834 5.363 2.400 7.304 1.00 0.22 H new ATOM 0 HA TRP A 834 5.641 1.750 4.551 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.648 2.819 5.476 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.588 4.200 6.005 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.920 6.165 4.479 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.652 6.564 1.941 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.700 1.380 2.876 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.759 5.017 -0.396 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.607 0.918 0.462 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.132 2.710 -1.149 1.00 0.19 H new ATOM 908 N ASN A 835 7.538 4.154 5.777 1.00 0.22 N ATOM 909 CA ASN A 835 8.716 4.980 5.508 1.00 0.25 C ATOM 910 C ASN A 835 9.845 4.129 4.954 1.00 0.21 C ATOM 911 O ASN A 835 10.365 4.402 3.872 1.00 0.21 O ATOM 912 CB ASN A 835 9.206 5.691 6.779 1.00 0.34 C ATOM 913 CG ASN A 835 8.264 6.768 7.284 1.00 1.15 C ATOM 914 OD1 ASN A 835 8.556 7.443 8.273 1.00 1.66 O ATOM 915 ND2 ASN A 835 7.131 6.932 6.628 1.00 2.00 N ATOM 0 H ASN A 835 7.188 4.220 6.733 1.00 0.22 H new ATOM 0 HA ASN A 835 8.424 5.731 4.775 1.00 0.25 H new ATOM 0 HB2 ASN A 835 9.350 4.950 7.565 1.00 0.34 H new ATOM 0 HB3 ASN A 835 10.180 6.138 6.581 1.00 0.34 H new ATOM 0 HD21 ASN A 835 6.461 7.637 6.935 1.00 2.00 H new ATOM 0 HD22 ASN A 835 6.925 6.354 5.813 1.00 2.00 H new ATOM 922 N VAL A 836 10.181 3.065 5.677 1.00 0.22 N ATOM 923 CA VAL A 836 11.237 2.160 5.246 1.00 0.25 C ATOM 924 C VAL A 836 10.869 1.471 3.936 1.00 0.19 C ATOM 925 O VAL A 836 11.725 1.301 3.074 1.00 0.19 O ATOM 926 CB VAL A 836 11.617 1.120 6.323 1.00 0.39 C ATOM 927 CG1 VAL A 836 12.207 1.816 7.540 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.427 0.269 6.727 1.00 1.22 C ATOM 0 H VAL A 836 9.739 2.810 6.560 1.00 0.22 H new ATOM 0 HA VAL A 836 12.120 2.777 5.081 1.00 0.25 H new ATOM 0 HB VAL A 836 12.366 0.455 5.893 1.00 0.39 H new ATOM 0 HG11 VAL A 836 12.471 1.072 8.292 1.00 1.36 H new ATOM 0 HG12 VAL A 836 13.100 2.368 7.246 1.00 1.36 H new ATOM 0 HG13 VAL A 836 11.474 2.507 7.955 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.735 -0.450 7.486 1.00 1.22 H new ATOM 0 HG22 VAL A 836 9.642 0.909 7.131 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.048 -0.264 5.855 1.00 1.22 H new ATOM 938 N ALA A 837 9.584 1.141 3.754 1.00 0.16 N ATOM 939 CA ALA A 837 9.126 0.566 2.489 1.00 0.15 C ATOM 940 C ALA A 837 9.454 1.497 1.327 1.00 0.15 C ATOM 941 O ALA A 837 10.088 1.083 0.356 1.00 0.19 O ATOM 942 CB ALA A 837 7.631 0.278 2.518 1.00 0.17 C ATOM 0 H ALA A 837 8.855 1.261 4.457 1.00 0.16 H new ATOM 0 HA ALA A 837 9.652 -0.378 2.348 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.324 -0.148 1.563 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.412 -0.429 3.318 1.00 0.17 H new ATOM 0 HB3 ALA A 837 7.085 1.205 2.694 1.00 0.17 H new ATOM 948 N LYS A 838 9.052 2.761 1.443 1.00 0.14 N ATOM 949 CA LYS A 838 9.347 3.755 0.412 1.00 0.19 C ATOM 950 C LYS A 838 10.850 3.855 0.162 1.00 0.20 C ATOM 951 O LYS A 838 11.296 3.848 -0.986 1.00 0.24 O ATOM 952 CB LYS A 838 8.823 5.132 0.808 1.00 0.23 C ATOM 953 CG LYS A 838 7.368 5.153 1.229 1.00 0.23 C ATOM 954 CD LYS A 838 6.839 6.579 1.316 1.00 0.40 C ATOM 955 CE LYS A 838 7.398 7.339 2.515 1.00 0.49 C ATOM 956 NZ LYS A 838 8.770 7.868 2.278 1.00 1.22 N ATOM 0 H LYS A 838 8.523 3.121 2.237 1.00 0.14 H new ATOM 0 HA LYS A 838 8.847 3.427 -0.499 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.431 5.516 1.627 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.955 5.813 -0.033 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.772 4.584 0.515 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.260 4.663 2.196 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.093 7.114 0.401 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.751 6.556 1.380 1.00 0.40 H new ATOM 0 HE2 LYS A 838 6.732 8.167 2.757 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.413 6.679 3.382 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 9.453 7.329 2.847 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 9.009 7.774 1.270 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 8.807 8.871 2.551 1.00 1.22 H new ATOM 970 N GLU A 839 11.622 3.943 1.247 1.00 0.21 N ATOM 971 CA GLU A 839 13.079 4.032 1.155 1.00 0.26 C ATOM 972 C GLU A 839 13.639 2.816 0.428 1.00 0.27 C ATOM 973 O GLU A 839 14.443 2.943 -0.496 1.00 0.31 O ATOM 974 CB GLU A 839 13.704 4.119 2.549 1.00 0.32 C ATOM 975 CG GLU A 839 13.257 5.322 3.366 1.00 0.47 C ATOM 976 CD GLU A 839 13.460 6.635 2.645 1.00 1.34 C ATOM 977 OE1 GLU A 839 14.571 6.859 2.114 1.00 2.22 O ATOM 978 OE2 GLU A 839 12.514 7.445 2.595 1.00 1.85 O ATOM 0 H GLU A 839 11.261 3.954 2.201 1.00 0.21 H new ATOM 0 HA GLU A 839 13.327 4.935 0.596 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.461 3.211 3.100 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.789 4.148 2.446 1.00 0.32 H new ATOM 0 HG2 GLU A 839 12.202 5.211 3.618 1.00 0.47 H new ATOM 0 HG3 GLU A 839 13.809 5.341 4.306 1.00 0.47 H new ATOM 985 N MET A 840 13.148 1.649 0.826 1.00 0.27 N ATOM 986 CA MET A 840 13.515 0.379 0.215 1.00 0.31 C ATOM 987 C MET A 840 13.317 0.420 -1.295 1.00 0.34 C ATOM 988 O MET A 840 14.235 0.123 -2.059 1.00 0.40 O ATOM 989 CB MET A 840 12.653 -0.732 0.828 1.00 0.32 C ATOM 990 CG MET A 840 12.606 -2.017 0.017 1.00 0.36 C ATOM 991 SD MET A 840 11.308 -3.140 0.575 1.00 0.76 S ATOM 992 CE MET A 840 9.835 -2.159 0.267 1.00 0.35 C ATOM 0 H MET A 840 12.478 1.557 1.589 1.00 0.27 H new ATOM 0 HA MET A 840 14.570 0.184 0.407 1.00 0.31 H new ATOM 0 HB2 MET A 840 13.032 -0.960 1.824 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.636 -0.359 0.952 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.445 -1.774 -1.033 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.571 -2.520 0.084 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.146 -2.264 1.105 1.00 0.35 H new ATOM 0 HE2 MET A 840 10.113 -1.111 0.155 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.351 -2.506 -0.646 1.00 0.35 H new ATOM 1002 N LEU A 841 12.116 0.795 -1.707 1.00 0.30 N ATOM 1003 CA LEU A 841 11.767 0.846 -3.120 1.00 0.35 C ATOM 1004 C LEU A 841 12.679 1.806 -3.876 1.00 0.39 C ATOM 1005 O LEU A 841 13.346 1.422 -4.840 1.00 0.50 O ATOM 1006 CB LEU A 841 10.313 1.310 -3.276 1.00 0.33 C ATOM 1007 CG LEU A 841 9.274 0.509 -2.488 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.938 1.231 -2.485 1.00 0.62 C ATOM 1009 CD2 LEU A 841 9.115 -0.885 -3.068 1.00 0.62 C ATOM 0 H LEU A 841 11.361 1.070 -1.079 1.00 0.30 H new ATOM 0 HA LEU A 841 11.890 -0.154 -3.536 1.00 0.35 H new ATOM 0 HB2 LEU A 841 10.249 2.354 -2.970 1.00 0.33 H new ATOM 0 HB3 LEU A 841 10.050 1.271 -4.333 1.00 0.33 H new ATOM 0 HG LEU A 841 9.625 0.416 -1.460 1.00 0.35 H new ATOM 0 HD11 LEU A 841 7.211 0.648 -1.920 1.00 0.62 H new ATOM 0 HD12 LEU A 841 8.055 2.211 -2.022 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.588 1.353 -3.510 1.00 0.62 H new ATOM 0 HD21 LEU A 841 8.372 -1.436 -2.492 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.789 -0.812 -4.106 1.00 0.62 H new ATOM 0 HD23 LEU A 841 10.070 -1.409 -3.023 1.00 0.62 H new ATOM 1021 N ALA A 842 12.691 3.054 -3.429 1.00 0.36 N ATOM 1022 CA ALA A 842 13.423 4.114 -4.108 1.00 0.44 C ATOM 1023 C ALA A 842 14.922 3.845 -4.161 1.00 0.52 C ATOM 1024 O ALA A 842 15.541 3.986 -5.217 1.00 0.61 O ATOM 1025 CB ALA A 842 13.149 5.447 -3.432 1.00 0.47 C ATOM 0 H ALA A 842 12.197 3.359 -2.591 1.00 0.36 H new ATOM 0 HA ALA A 842 13.069 4.146 -5.139 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.700 6.235 -3.945 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.082 5.664 -3.474 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.469 5.400 -2.391 1.00 0.47 H new ATOM 1031 N GLU A 843 15.518 3.527 -3.019 1.00 0.53 N ATOM 1032 CA GLU A 843 16.956 3.324 -2.957 1.00 0.66 C ATOM 1033 C GLU A 843 17.389 2.070 -3.703 1.00 0.71 C ATOM 1034 O GLU A 843 18.340 2.118 -4.486 1.00 0.81 O ATOM 1035 CB GLU A 843 17.451 3.271 -1.510 1.00 0.71 C ATOM 1036 CG GLU A 843 17.474 4.631 -0.833 1.00 1.45 C ATOM 1037 CD GLU A 843 18.211 4.620 0.491 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.669 3.541 0.920 1.00 2.92 O ATOM 1039 OE2 GLU A 843 18.336 5.694 1.115 1.00 2.43 O ATOM 0 H GLU A 843 15.031 3.405 -2.131 1.00 0.53 H new ATOM 0 HA GLU A 843 17.411 4.183 -3.450 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.811 2.599 -0.939 1.00 0.71 H new ATOM 0 HB3 GLU A 843 18.455 2.847 -1.492 1.00 0.71 H new ATOM 0 HG2 GLU A 843 17.945 5.354 -1.499 1.00 1.45 H new ATOM 0 HG3 GLU A 843 16.450 4.967 -0.670 1.00 1.45 H new ATOM 1046 N ASN A 844 16.754 0.937 -3.420 1.00 0.67 N ATOM 1047 CA ASN A 844 17.169 -0.317 -4.040 1.00 0.80 C ATOM 1048 C ASN A 844 16.864 -0.338 -5.534 1.00 0.79 C ATOM 1049 O ASN A 844 17.789 -0.443 -6.339 1.00 1.11 O ATOM 1050 CB ASN A 844 16.530 -1.526 -3.357 1.00 0.85 C ATOM 1051 CG ASN A 844 17.005 -1.718 -1.931 1.00 0.97 C ATOM 1052 OD1 ASN A 844 18.203 -1.816 -1.665 1.00 1.53 O ATOM 1053 ND2 ASN A 844 16.067 -1.788 -1.007 1.00 1.15 N ATOM 0 H ASN A 844 15.965 0.860 -2.778 1.00 0.67 H new ATOM 0 HA ASN A 844 18.249 -0.382 -3.911 1.00 0.80 H new ATOM 0 HB2 ASN A 844 15.446 -1.408 -3.361 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.755 -2.423 -3.933 1.00 0.85 H new ATOM 0 HD21 ASN A 844 16.323 -1.928 -0.030 1.00 1.15 H new ATOM 0 HD22 ASN A 844 15.085 -1.702 -1.269 1.00 1.15 H new ATOM 1060 N ASN A 845 15.578 -0.158 -5.892 1.00 0.62 N ATOM 1061 CA ASN A 845 15.133 -0.130 -7.302 1.00 0.71 C ATOM 1062 C ASN A 845 13.634 -0.397 -7.388 1.00 0.61 C ATOM 1063 O ASN A 845 12.988 -0.040 -8.376 1.00 0.71 O ATOM 1064 CB ASN A 845 15.876 -1.169 -8.169 1.00 0.92 C ATOM 1065 CG ASN A 845 15.424 -2.598 -7.919 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.407 -3.045 -8.451 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.167 -3.320 -7.099 1.00 1.48 N ATOM 0 H ASN A 845 14.822 -0.029 -5.219 1.00 0.62 H new ATOM 0 HA ASN A 845 15.363 0.864 -7.686 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.726 -0.927 -9.221 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.946 -1.095 -7.974 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.905 -4.283 -6.887 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.003 -2.915 -6.678 1.00 1.48 H new ATOM 1074 N GLU A 846 13.129 -1.171 -6.430 1.00 0.55 N ATOM 1075 CA GLU A 846 11.752 -1.653 -6.456 1.00 0.63 C ATOM 1076 C GLU A 846 10.730 -0.521 -6.514 1.00 0.73 C ATOM 1077 O GLU A 846 11.040 0.639 -6.249 1.00 1.49 O ATOM 1078 CB GLU A 846 11.467 -2.537 -5.237 1.00 0.77 C ATOM 1079 CG GLU A 846 12.109 -3.912 -5.304 1.00 1.40 C ATOM 1080 CD GLU A 846 13.579 -3.892 -4.948 1.00 2.19 C ATOM 1081 OE1 GLU A 846 14.068 -2.845 -4.486 1.00 2.97 O ATOM 1082 OE2 GLU A 846 14.246 -4.937 -5.100 1.00 2.54 O ATOM 0 H GLU A 846 13.662 -1.480 -5.617 1.00 0.55 H new ATOM 0 HA GLU A 846 11.648 -2.237 -7.370 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.820 -2.026 -4.341 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.389 -2.656 -5.132 1.00 0.77 H new ATOM 0 HG2 GLU A 846 11.585 -4.586 -4.626 1.00 1.40 H new ATOM 0 HG3 GLU A 846 11.989 -4.315 -6.310 1.00 1.40 H new ATOM 1089 N LYS A 847 9.507 -0.880 -6.866 1.00 0.42 N ATOM 1090 CA LYS A 847 8.413 0.074 -6.951 1.00 0.37 C ATOM 1091 C LYS A 847 7.074 -0.657 -6.969 1.00 0.35 C ATOM 1092 O LYS A 847 6.066 -0.123 -6.498 1.00 0.44 O ATOM 1093 CB LYS A 847 8.563 0.963 -8.188 1.00 0.44 C ATOM 1094 CG LYS A 847 7.526 2.072 -8.272 1.00 0.63 C ATOM 1095 CD LYS A 847 7.920 3.113 -9.302 1.00 1.29 C ATOM 1096 CE LYS A 847 6.768 4.043 -9.615 1.00 1.80 C ATOM 1097 NZ LYS A 847 7.099 4.983 -10.717 1.00 2.40 N ATOM 0 H LYS A 847 9.244 -1.837 -7.100 1.00 0.42 H new ATOM 0 HA LYS A 847 8.445 0.715 -6.070 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.558 1.407 -8.187 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.492 0.343 -9.081 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.556 1.648 -8.532 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.416 2.545 -7.296 1.00 0.63 H new ATOM 0 HD2 LYS A 847 8.766 3.691 -8.932 1.00 1.29 H new ATOM 0 HD3 LYS A 847 8.248 2.617 -10.216 1.00 1.29 H new ATOM 0 HE2 LYS A 847 5.892 3.456 -9.889 1.00 1.80 H new ATOM 0 HE3 LYS A 847 6.505 4.609 -8.721 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 6.291 5.614 -10.890 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 7.930 5.549 -10.452 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 7.308 4.444 -11.582 1.00 2.40 H new ATOM 1111 N PHE A 848 7.080 -1.903 -7.457 1.00 0.32 N ATOM 1112 CA PHE A 848 5.884 -2.739 -7.427 1.00 0.30 C ATOM 1113 C PHE A 848 5.455 -2.928 -5.985 1.00 0.24 C ATOM 1114 O PHE A 848 6.239 -3.399 -5.156 1.00 0.21 O ATOM 1115 CB PHE A 848 6.171 -4.113 -8.047 1.00 0.31 C ATOM 1116 CG PHE A 848 4.949 -4.858 -8.527 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.379 -4.544 -9.753 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.395 -5.908 -7.793 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.285 -5.243 -10.222 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.317 -6.600 -8.272 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.759 -6.275 -9.471 1.00 0.52 C ATOM 0 H PHE A 848 7.897 -2.349 -7.874 1.00 0.32 H new ATOM 0 HA PHE A 848 5.096 -2.252 -8.001 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.853 -3.982 -8.887 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.688 -4.728 -7.310 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.796 -3.744 -10.347 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.822 -6.177 -6.838 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.842 -4.984 -11.172 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.904 -7.413 -7.693 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.904 -6.825 -9.835 1.00 0.52 H new ATOM 1131 N LEU A 849 4.223 -2.576 -5.689 1.00 0.22 N ATOM 1132 CA LEU A 849 3.713 -2.713 -4.347 1.00 0.18 C ATOM 1133 C LEU A 849 2.389 -3.451 -4.375 1.00 0.17 C ATOM 1134 O LEU A 849 1.596 -3.318 -5.309 1.00 0.19 O ATOM 1135 CB LEU A 849 3.544 -1.342 -3.680 1.00 0.20 C ATOM 1136 CG LEU A 849 3.310 -1.373 -2.170 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.534 -1.910 -1.447 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.978 0.015 -1.671 1.00 0.55 C ATOM 0 H LEU A 849 3.558 -2.193 -6.361 1.00 0.22 H new ATOM 0 HA LEU A 849 4.431 -3.286 -3.760 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.435 -0.747 -3.881 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.705 -0.829 -4.150 1.00 0.20 H new ATOM 0 HG LEU A 849 2.471 -2.037 -1.963 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.346 -1.923 -0.373 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.745 -2.923 -1.791 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.391 -1.270 -1.657 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.813 -0.015 -0.594 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.806 0.689 -1.892 1.00 0.55 H new ATOM 0 HD23 LEU A 849 2.076 0.374 -2.167 1.00 0.55 H new ATOM 1150 N ASN A 850 2.208 -4.310 -3.409 1.00 0.16 N ATOM 1151 CA ASN A 850 1.036 -5.145 -3.344 1.00 0.17 C ATOM 1152 C ASN A 850 0.436 -5.005 -1.962 1.00 0.17 C ATOM 1153 O ASN A 850 1.150 -4.696 -1.015 1.00 0.16 O ATOM 1154 CB ASN A 850 1.396 -6.606 -3.645 1.00 0.19 C ATOM 1155 CG ASN A 850 2.366 -6.740 -4.812 1.00 0.34 C ATOM 1156 OD1 ASN A 850 3.556 -6.453 -4.683 1.00 0.96 O ATOM 1157 ND2 ASN A 850 1.873 -7.179 -5.958 1.00 0.45 N ATOM 0 H ASN A 850 2.868 -4.452 -2.644 1.00 0.16 H new ATOM 0 HA ASN A 850 0.309 -4.833 -4.094 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.837 -7.058 -2.757 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.486 -7.163 -3.868 1.00 0.19 H new ATOM 0 HD21 ASN A 850 2.484 -7.288 -6.767 1.00 0.45 H new ATOM 0 HD22 ASN A 850 0.882 -7.408 -6.032 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.875 -5.070 -1.861 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.536 -4.819 -0.593 1.00 0.21 C ATOM 1166 C ILE A 851 -2.430 -5.987 -0.268 1.00 0.24 C ATOM 1167 O ILE A 851 -3.266 -6.384 -1.075 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.440 -3.559 -0.608 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.014 -2.543 -1.667 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.459 -2.899 0.760 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.650 -1.922 -1.443 1.00 0.28 C ATOM 0 H ILE A 851 -1.502 -5.293 -2.634 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.744 -4.670 0.140 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.444 -3.898 -0.865 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.019 -3.032 -2.641 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.758 -1.747 -1.706 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.098 -2.017 0.730 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.846 -3.602 1.498 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.447 -2.604 1.036 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.436 -1.215 -2.245 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.641 -1.399 -0.486 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.109 -2.704 -1.436 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.230 -6.565 0.892 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.018 -7.684 1.298 1.00 0.37 C ATOM 1185 C ARG A 852 -4.092 -7.253 2.270 1.00 0.39 C ATOM 1186 O ARG A 852 -3.802 -6.859 3.401 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.147 -8.745 1.931 1.00 0.46 C ATOM 1188 CG ARG A 852 -2.871 -10.059 2.094 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.028 -11.065 2.841 1.00 0.70 C ATOM 1190 NE ARG A 852 -2.475 -12.436 2.594 1.00 1.27 N ATOM 1191 CZ ARG A 852 -1.956 -13.513 3.182 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.066 -13.381 4.157 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -2.344 -14.723 2.808 1.00 2.38 N ATOM 0 H ARG A 852 -1.524 -6.272 1.567 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.494 -8.103 0.411 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.259 -8.896 1.318 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.806 -8.397 2.906 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -3.806 -9.897 2.630 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.131 -10.457 1.113 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -0.986 -10.962 2.539 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -2.072 -10.855 3.910 1.00 0.70 H new ATOM 0 HE ARG A 852 -3.234 -12.577 1.928 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.776 -12.451 4.460 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.672 -14.209 4.604 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -3.040 -14.830 2.070 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -1.947 -15.548 3.258 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.329 -7.378 1.840 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.462 -7.084 2.690 1.00 0.54 C ATOM 1209 C LEU A 853 -6.866 -8.357 3.419 1.00 0.63 C ATOM 1210 O LEU A 853 -7.800 -9.051 3.006 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.628 -6.540 1.876 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.487 -5.128 1.269 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -7.396 -4.071 2.351 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.296 -5.033 0.325 1.00 1.56 C ATOM 0 H LEU A 853 -5.576 -7.684 0.899 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.183 -6.317 3.413 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -7.821 -7.237 1.061 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.512 -6.543 2.514 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.388 -4.942 0.684 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -7.297 -3.088 1.892 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -8.298 -4.097 2.962 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -6.527 -4.267 2.979 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.233 -4.023 -0.080 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -5.381 -5.263 0.870 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -6.421 -5.744 -0.491 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.011 -8.773 4.341 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.145 -10.069 4.997 1.00 1.08 C ATOM 1228 C TYR A 854 -7.289 -10.078 6.013 1.00 1.25 C ATOM 1229 O TYR A 854 -7.330 -11.001 6.854 1.00 1.67 O ATOM 1230 CB TYR A 854 -4.816 -10.455 5.663 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.308 -9.461 6.694 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.888 -9.367 7.955 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -3.231 -8.635 6.409 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -4.412 -8.476 8.896 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -2.746 -7.746 7.348 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.341 -7.668 8.588 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.856 -6.786 9.526 1.00 0.92 O ATOM 1238 OXT TYR A 854 -8.157 -9.184 5.953 1.00 1.77 O ATOM 0 H TYR A 854 -5.209 -8.227 4.656 1.00 0.99 H new ATOM 0 HA TYR A 854 -6.391 -10.810 4.236 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -4.935 -11.426 6.143 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.058 -10.573 4.888 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -5.726 -10.002 8.202 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -2.764 -8.688 5.437 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -4.877 -8.413 9.869 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -1.903 -7.114 7.111 1.00 0.86 H new ATOM 0 HH TYR A 854 -3.008 -7.147 10.424 1.00 0.92 H new TER 1248 TYR A 854