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 805 THR OG1 : rot 170:sc= 0.518 USER MOD Set 1.2: A 807 ASN : amide:sc= 1.05 K(o=-0.66,f=-4.3!) USER MOD Set 1.3: A 808 ASN : amide:sc= -2.23! K(o=-0.66!,f=1.5) USER MOD Set 2.1: A 782 THR OG1 : rot -69:sc= 0 USER MOD Set 2.2: A 819 GLN : amide:sc= -0.333 K(o=-0.33,f=0.18) USER MOD Set 2.3: A 850 ASN : amide:sc= 0.00745 X(o=-0.33,f=0.0021) USER MOD Single : A 778 SER OG : rot 38:sc= 0.186 USER MOD Single : A 787 LYS NZ :NH3+ -142:sc= 1.13 (180deg=0.282) USER MOD Single : A 790 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.27) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -5.79! K(o=-5.8!,f=-2.5) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1) USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 804 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.092) USER MOD Single : A 806 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.27) USER MOD Single : A 809 ASN : amide:sc= 1.54 K(o=1.5,f=-6.7!) 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+ -146:sc= -0.184 (180deg=-1) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc=-0.00571 USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.9!) USER MOD Single : A 838 LYS NZ :NH3+ 149:sc= 0.204 (180deg=0.0078) USER MOD Single : A 840 MET CE :methyl 171:sc= -3.57! (180deg=-3.95!) USER MOD Single : A 844 ASN : amide:sc= -1.68 K(o=-1.7,f=-0.024) USER MOD Single : A 845 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.64) USER MOD Single : A 847 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.28) USER MOD Single : A 854 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -8.166 -12.759 2.427 1.00 2.40 N ATOM 2 CA SER A 778 -6.879 -12.760 1.701 1.00 2.10 C ATOM 3 C SER A 778 -7.103 -12.525 0.218 1.00 1.16 C ATOM 4 O SER A 778 -7.818 -13.276 -0.448 1.00 1.09 O ATOM 5 CB SER A 778 -6.188 -14.098 1.947 1.00 2.58 C ATOM 6 OG SER A 778 -5.949 -14.292 3.334 1.00 3.17 O ATOM 0 HA SER A 778 -6.245 -11.951 2.065 1.00 2.10 H new ATOM 0 HB2 SER A 778 -6.807 -14.909 1.563 1.00 2.58 H new ATOM 0 HB3 SER A 778 -5.245 -14.131 1.402 1.00 2.58 H new ATOM 0 HG SER A 778 -6.706 -13.941 3.849 1.00 3.17 H new ATOM 14 N GLU A 779 -6.521 -11.448 -0.273 1.00 0.78 N ATOM 15 CA GLU A 779 -6.659 -11.054 -1.658 1.00 0.85 C ATOM 16 C GLU A 779 -5.564 -10.067 -2.008 1.00 0.75 C ATOM 17 O GLU A 779 -5.302 -9.128 -1.252 1.00 1.17 O ATOM 18 CB GLU A 779 -8.037 -10.426 -1.901 1.00 1.60 C ATOM 19 CG GLU A 779 -8.376 -9.317 -0.918 1.00 1.95 C ATOM 20 CD GLU A 779 -9.778 -8.781 -1.090 1.00 2.62 C ATOM 21 OE1 GLU A 779 -10.063 -8.188 -2.150 1.00 3.25 O ATOM 22 OE2 GLU A 779 -10.604 -8.940 -0.168 1.00 2.92 O ATOM 0 H GLU A 779 -5.938 -10.821 0.281 1.00 0.78 H new ATOM 0 HA GLU A 779 -6.569 -11.935 -2.293 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -8.073 -10.027 -2.915 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -8.799 -11.203 -1.838 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.259 -9.692 0.099 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -7.664 -8.501 -1.040 1.00 1.95 H new ATOM 29 N ILE A 780 -4.888 -10.314 -3.114 1.00 0.62 N ATOM 30 CA ILE A 780 -3.830 -9.434 -3.549 1.00 0.43 C ATOM 31 C ILE A 780 -4.406 -8.226 -4.270 1.00 0.37 C ATOM 32 O ILE A 780 -5.304 -8.339 -5.107 1.00 0.49 O ATOM 33 CB ILE A 780 -2.787 -10.164 -4.437 1.00 0.45 C ATOM 34 CG1 ILE A 780 -1.707 -10.805 -3.560 1.00 0.75 C ATOM 35 CG2 ILE A 780 -2.147 -9.223 -5.455 1.00 0.74 C ATOM 36 CD1 ILE A 780 -0.903 -9.802 -2.750 1.00 0.51 C ATOM 0 H ILE A 780 -5.055 -11.115 -3.723 1.00 0.62 H new ATOM 0 HA ILE A 780 -3.304 -9.093 -2.658 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.313 -10.941 -4.993 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.178 -11.514 -2.879 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -1.028 -11.375 -4.194 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -1.424 -9.774 -6.056 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -2.919 -8.811 -6.105 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -1.641 -8.411 -4.932 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.158 -10.329 -2.154 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -0.403 -9.107 -3.425 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.571 -9.249 -2.089 1.00 0.51 H new ATOM 48 N PHE A 781 -3.830 -7.092 -3.969 1.00 0.28 N ATOM 49 CA PHE A 781 -4.189 -5.840 -4.582 1.00 0.26 C ATOM 50 C PHE A 781 -2.908 -5.242 -5.113 1.00 0.22 C ATOM 51 O PHE A 781 -1.838 -5.585 -4.623 1.00 0.21 O ATOM 52 CB PHE A 781 -4.842 -4.916 -3.551 1.00 0.29 C ATOM 53 CG PHE A 781 -5.453 -3.681 -4.140 1.00 0.34 C ATOM 54 CD1 PHE A 781 -6.434 -3.777 -5.108 1.00 0.41 C ATOM 55 CD2 PHE A 781 -5.050 -2.425 -3.719 1.00 0.37 C ATOM 56 CE1 PHE A 781 -7.001 -2.645 -5.650 1.00 0.50 C ATOM 57 CE2 PHE A 781 -5.614 -1.289 -4.256 1.00 0.44 C ATOM 58 CZ PHE A 781 -6.591 -1.400 -5.224 1.00 0.52 C ATOM 0 H PHE A 781 -3.084 -7.011 -3.278 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.911 -5.980 -5.387 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.613 -5.471 -3.017 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.093 -4.623 -2.815 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -6.760 -4.751 -5.443 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.285 -2.335 -2.962 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -7.766 -2.733 -6.408 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -5.292 -0.314 -3.920 1.00 0.44 H new ATOM 0 HZ PHE A 781 -7.035 -0.511 -5.648 1.00 0.52 H new ATOM 68 N THR A 782 -2.976 -4.554 -6.227 1.00 0.23 N ATOM 69 CA THR A 782 -1.759 -4.175 -6.914 1.00 0.23 C ATOM 70 C THR A 782 -1.729 -2.679 -7.151 1.00 0.23 C ATOM 71 O THR A 782 -2.751 -2.058 -7.441 1.00 0.25 O ATOM 72 CB THR A 782 -1.635 -4.913 -8.263 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.823 -6.322 -8.072 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.275 -4.665 -8.899 1.00 1.34 C ATOM 0 H THR A 782 -3.841 -4.249 -6.673 1.00 0.23 H new ATOM 0 HA THR A 782 -0.917 -4.456 -6.281 1.00 0.23 H new ATOM 0 HB THR A 782 -2.406 -4.527 -8.930 1.00 0.29 H new ATOM 0 HG1 THR A 782 -1.063 -6.689 -7.574 1.00 1.39 H new ATOM 0 HG21 THR A 782 -0.215 -5.197 -9.848 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.144 -3.597 -9.072 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.509 -5.023 -8.232 1.00 1.34 H new ATOM 82 N LEU A 783 -0.604 -2.092 -6.795 1.00 0.22 N ATOM 83 CA LEU A 783 -0.447 -0.657 -6.768 1.00 0.21 C ATOM 84 C LEU A 783 1.004 -0.300 -7.046 1.00 0.21 C ATOM 85 O LEU A 783 1.904 -1.043 -6.681 1.00 0.23 O ATOM 86 CB LEU A 783 -0.879 -0.120 -5.403 1.00 0.26 C ATOM 87 CG LEU A 783 -0.893 1.399 -5.267 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.916 2.018 -6.208 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.187 1.785 -3.831 1.00 0.61 C ATOM 0 H LEU A 783 0.232 -2.604 -6.515 1.00 0.22 H new ATOM 0 HA LEU A 783 -1.073 -0.204 -7.536 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.879 -0.496 -5.185 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.212 -0.529 -4.644 1.00 0.26 H new ATOM 0 HG LEU A 783 0.090 1.782 -5.542 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -1.907 3.102 -6.093 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.666 1.761 -7.237 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.908 1.636 -5.969 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.196 2.871 -3.741 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.160 1.389 -3.540 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.417 1.373 -3.179 1.00 0.61 H new ATOM 101 N LEU A 784 1.240 0.817 -7.699 1.00 0.20 N ATOM 102 CA LEU A 784 2.602 1.239 -7.964 1.00 0.22 C ATOM 103 C LEU A 784 2.792 2.654 -7.457 1.00 0.21 C ATOM 104 O LEU A 784 1.978 3.538 -7.732 1.00 0.23 O ATOM 105 CB LEU A 784 2.944 1.156 -9.457 1.00 0.29 C ATOM 106 CG LEU A 784 3.090 -0.263 -10.022 1.00 0.91 C ATOM 107 CD1 LEU A 784 1.736 -0.851 -10.394 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.019 -0.262 -11.225 1.00 1.45 C ATOM 0 H LEU A 784 0.518 1.444 -8.053 1.00 0.20 H new ATOM 0 HA LEU A 784 3.279 0.564 -7.441 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.167 1.674 -10.019 1.00 0.29 H new ATOM 0 HB3 LEU A 784 3.876 1.695 -9.629 1.00 0.29 H new ATOM 0 HG LEU A 784 3.525 -0.891 -9.244 1.00 0.91 H new ATOM 0 HD11 LEU A 784 1.873 -1.857 -10.791 1.00 1.53 H new ATOM 0 HD12 LEU A 784 1.102 -0.894 -9.508 1.00 1.53 H new ATOM 0 HD13 LEU A 784 1.262 -0.224 -11.149 1.00 1.53 H new ATOM 0 HD21 LEU A 784 4.112 -1.276 -11.614 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.611 0.388 -11.999 1.00 1.45 H new ATOM 0 HD23 LEU A 784 5.001 0.103 -10.926 1.00 1.45 H new ATOM 120 N VAL A 785 3.734 2.788 -6.534 1.00 0.22 N ATOM 121 CA VAL A 785 3.916 4.023 -5.785 1.00 0.25 C ATOM 122 C VAL A 785 4.365 5.157 -6.696 1.00 0.34 C ATOM 123 O VAL A 785 5.486 5.158 -7.197 1.00 0.79 O ATOM 124 CB VAL A 785 4.916 3.823 -4.643 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.825 4.956 -3.641 1.00 0.95 C ATOM 126 CG2 VAL A 785 4.682 2.482 -3.974 1.00 1.10 C ATOM 0 H VAL A 785 4.390 2.048 -6.284 1.00 0.22 H new ATOM 0 HA VAL A 785 2.952 4.297 -5.355 1.00 0.25 H new ATOM 0 HB VAL A 785 5.924 3.830 -5.057 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.545 4.791 -2.839 1.00 0.95 H new ATOM 0 HG12 VAL A 785 5.046 5.900 -4.139 1.00 0.95 H new ATOM 0 HG13 VAL A 785 3.819 4.992 -3.223 1.00 0.95 H new ATOM 0 HG21 VAL A 785 5.399 2.350 -3.163 1.00 1.10 H new ATOM 0 HG22 VAL A 785 3.669 2.448 -3.572 1.00 1.10 H new ATOM 0 HG23 VAL A 785 4.810 1.684 -4.705 1.00 1.10 H new ATOM 136 N GLU A 786 3.408 6.004 -7.043 1.00 0.69 N ATOM 137 CA GLU A 786 3.604 7.018 -8.068 1.00 0.81 C ATOM 138 C GLU A 786 4.555 8.128 -7.619 1.00 0.87 C ATOM 139 O GLU A 786 5.388 8.587 -8.399 1.00 1.56 O ATOM 140 CB GLU A 786 2.250 7.618 -8.459 1.00 0.99 C ATOM 141 CG GLU A 786 2.278 8.424 -9.748 1.00 1.51 C ATOM 142 CD GLU A 786 2.564 7.568 -10.965 1.00 2.26 C ATOM 143 OE1 GLU A 786 3.659 6.966 -11.026 1.00 2.59 O ATOM 144 OE2 GLU A 786 1.700 7.488 -11.864 1.00 3.06 O ATOM 0 H GLU A 786 2.478 6.008 -6.624 1.00 0.69 H new ATOM 0 HA GLU A 786 4.063 6.531 -8.928 1.00 0.81 H new ATOM 0 HB2 GLU A 786 1.524 6.812 -8.563 1.00 0.99 H new ATOM 0 HB3 GLU A 786 1.901 8.259 -7.649 1.00 0.99 H new ATOM 0 HG2 GLU A 786 1.319 8.926 -9.879 1.00 1.51 H new ATOM 0 HG3 GLU A 786 3.037 9.202 -9.669 1.00 1.51 H new ATOM 151 N LYS A 787 4.355 8.644 -6.415 1.00 0.91 N ATOM 152 CA LYS A 787 5.130 9.793 -5.962 1.00 1.01 C ATOM 153 C LYS A 787 5.495 9.677 -4.486 1.00 0.96 C ATOM 154 O LYS A 787 5.359 10.637 -3.729 1.00 1.58 O ATOM 155 CB LYS A 787 4.354 11.094 -6.225 1.00 1.17 C ATOM 156 CG LYS A 787 2.997 11.167 -5.539 1.00 1.21 C ATOM 157 CD LYS A 787 2.236 12.425 -5.935 1.00 1.35 C ATOM 158 CE LYS A 787 0.950 12.587 -5.136 1.00 1.27 C ATOM 159 NZ LYS A 787 1.209 13.017 -3.734 1.00 1.80 N ATOM 0 H LYS A 787 3.674 8.293 -5.742 1.00 0.91 H new ATOM 0 HA LYS A 787 6.060 9.814 -6.530 1.00 1.01 H new ATOM 0 HB2 LYS A 787 4.960 11.937 -5.895 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.211 11.206 -7.300 1.00 1.17 H new ATOM 0 HG2 LYS A 787 2.409 10.288 -5.801 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.134 11.149 -4.458 1.00 1.21 H new ATOM 0 HD2 LYS A 787 2.871 13.297 -5.781 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.000 12.387 -6.998 1.00 1.35 H new ATOM 0 HE2 LYS A 787 0.309 13.320 -5.627 1.00 1.27 H new ATOM 0 HE3 LYS A 787 0.407 11.642 -5.130 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 0.543 12.537 -3.095 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 2.183 12.768 -3.469 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 1.081 14.046 -3.657 1.00 1.80 H new ATOM 173 N VAL A 788 6.029 8.516 -4.104 1.00 0.66 N ATOM 174 CA VAL A 788 6.482 8.265 -2.729 1.00 0.61 C ATOM 175 C VAL A 788 5.310 8.161 -1.749 1.00 0.70 C ATOM 176 O VAL A 788 5.147 7.135 -1.094 1.00 1.70 O ATOM 177 CB VAL A 788 7.483 9.346 -2.253 1.00 0.70 C ATOM 178 CG1 VAL A 788 7.774 9.222 -0.767 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.770 9.247 -3.050 1.00 1.21 C ATOM 0 H VAL A 788 6.161 7.724 -4.734 1.00 0.66 H new ATOM 0 HA VAL A 788 6.995 7.303 -2.743 1.00 0.61 H new ATOM 0 HB VAL A 788 7.028 10.322 -2.421 1.00 0.70 H new ATOM 0 HG11 VAL A 788 8.480 9.997 -0.469 1.00 0.87 H new ATOM 0 HG12 VAL A 788 6.848 9.339 -0.204 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.203 8.241 -0.561 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.469 10.011 -2.709 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.212 8.261 -2.907 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.555 9.398 -4.108 1.00 1.21 H new ATOM 189 N TRP A 789 4.461 9.190 -1.718 1.00 0.50 N ATOM 190 CA TRP A 789 3.253 9.206 -0.888 1.00 0.33 C ATOM 191 C TRP A 789 3.579 9.339 0.603 1.00 0.29 C ATOM 192 O TRP A 789 4.446 8.650 1.136 1.00 0.34 O ATOM 193 CB TRP A 789 2.414 7.944 -1.124 1.00 0.32 C ATOM 194 CG TRP A 789 1.859 7.825 -2.514 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.587 8.839 -3.385 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.520 6.614 -3.193 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.065 8.332 -4.549 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.019 6.969 -4.458 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.585 5.263 -2.851 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.581 6.020 -5.372 1.00 0.44 C ATOM 201 CZ3 TRP A 789 1.155 4.325 -3.762 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.658 4.707 -5.009 1.00 0.44 C ATOM 0 H TRP A 789 4.591 10.038 -2.269 1.00 0.50 H new ATOM 0 HA TRP A 789 2.678 10.083 -1.185 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.028 7.068 -0.914 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.588 7.932 -0.413 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.757 9.887 -3.188 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.761 8.883 -5.352 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.966 4.958 -1.888 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.193 6.311 -6.337 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 1.203 3.276 -3.508 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.327 3.947 -5.701 1.00 0.44 H new ATOM 213 N ASN A 790 2.818 10.178 1.290 1.00 0.29 N ATOM 214 CA ASN A 790 2.972 10.359 2.729 1.00 0.32 C ATOM 215 C ASN A 790 2.053 9.387 3.477 1.00 0.37 C ATOM 216 O ASN A 790 1.440 9.743 4.483 1.00 0.82 O ATOM 217 CB ASN A 790 2.640 11.812 3.102 1.00 0.39 C ATOM 218 CG ASN A 790 2.988 12.177 4.540 1.00 1.20 C ATOM 219 OD1 ASN A 790 2.494 13.175 5.063 1.00 2.06 O ATOM 220 ND2 ASN A 790 3.866 11.411 5.174 1.00 1.79 N ATOM 0 H ASN A 790 2.083 10.748 0.872 1.00 0.29 H new ATOM 0 HA ASN A 790 4.003 10.149 3.015 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.176 12.481 2.428 1.00 0.39 H new ATOM 0 HB3 ASN A 790 1.576 11.983 2.942 1.00 0.39 H new ATOM 0 HD21 ASN A 790 4.151 11.642 6.126 1.00 1.79 H new ATOM 0 HD22 ASN A 790 4.256 10.590 4.710 1.00 1.79 H new ATOM 227 N PHE A 791 1.905 8.183 2.915 1.00 0.30 N ATOM 228 CA PHE A 791 1.006 7.140 3.439 1.00 0.25 C ATOM 229 C PHE A 791 -0.457 7.511 3.212 1.00 0.23 C ATOM 230 O PHE A 791 -1.211 6.721 2.660 1.00 0.21 O ATOM 231 CB PHE A 791 1.278 6.852 4.922 1.00 0.28 C ATOM 232 CG PHE A 791 0.414 5.770 5.516 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.189 4.584 4.834 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.161 5.936 6.765 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.597 3.591 5.386 1.00 0.36 C ATOM 236 CE2 PHE A 791 -0.946 4.944 7.322 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.164 3.770 6.631 1.00 0.42 C ATOM 0 H PHE A 791 2.409 7.899 2.075 1.00 0.30 H new ATOM 0 HA PHE A 791 1.211 6.224 2.885 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.324 6.569 5.038 1.00 0.28 H new ATOM 0 HB3 PHE A 791 1.131 7.770 5.491 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.633 4.435 3.861 1.00 0.30 H new ATOM 0 HD2 PHE A 791 0.006 6.853 7.311 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.768 2.674 4.842 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.388 5.088 8.297 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.777 2.993 7.064 1.00 0.42 H new ATOM 247 N ASP A 792 -0.822 8.744 3.537 1.00 0.26 N ATOM 248 CA ASP A 792 -2.167 9.243 3.277 1.00 0.29 C ATOM 249 C ASP A 792 -2.469 9.198 1.785 1.00 0.25 C ATOM 250 O ASP A 792 -3.540 8.759 1.373 1.00 0.26 O ATOM 251 CB ASP A 792 -2.321 10.675 3.795 1.00 0.38 C ATOM 252 CG ASP A 792 -2.353 10.755 5.308 1.00 1.13 C ATOM 253 OD1 ASP A 792 -3.249 10.137 5.925 1.00 1.74 O ATOM 254 OD2 ASP A 792 -1.477 11.428 5.891 1.00 1.86 O ATOM 0 H ASP A 792 -0.203 9.420 3.983 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.875 8.603 3.803 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.496 11.282 3.422 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -3.239 11.104 3.394 1.00 0.38 H new ATOM 259 N ASP A 793 -1.478 9.570 0.979 1.00 0.24 N ATOM 260 CA ASP A 793 -1.599 9.518 -0.478 1.00 0.23 C ATOM 261 C ASP A 793 -1.776 8.081 -0.929 1.00 0.19 C ATOM 262 O ASP A 793 -2.616 7.771 -1.775 1.00 0.18 O ATOM 263 CB ASP A 793 -0.348 10.079 -1.153 1.00 0.28 C ATOM 264 CG ASP A 793 0.061 11.437 -0.642 1.00 0.75 C ATOM 265 OD1 ASP A 793 0.525 11.519 0.513 1.00 1.36 O ATOM 266 OD2 ASP A 793 -0.062 12.423 -1.398 1.00 1.16 O ATOM 0 H ASP A 793 -0.577 9.913 1.311 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.464 10.118 -0.761 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.477 9.382 -1.005 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.523 10.143 -2.227 1.00 0.28 H new ATOM 271 N LEU A 794 -0.979 7.209 -0.326 1.00 0.18 N ATOM 272 CA LEU A 794 -1.028 5.783 -0.593 1.00 0.17 C ATOM 273 C LEU A 794 -2.403 5.227 -0.232 1.00 0.16 C ATOM 274 O LEU A 794 -3.019 4.516 -1.023 1.00 0.16 O ATOM 275 CB LEU A 794 0.095 5.094 0.199 1.00 0.19 C ATOM 276 CG LEU A 794 -0.124 3.623 0.545 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.056 2.758 -0.701 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.901 3.160 1.568 1.00 0.22 C ATOM 0 H LEU A 794 -0.278 7.475 0.365 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.873 5.590 -1.655 1.00 0.17 H new ATOM 0 HB2 LEU A 794 1.018 5.177 -0.375 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.246 5.645 1.127 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.119 3.520 0.977 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.215 1.715 -0.429 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -0.828 3.071 -1.404 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.924 2.866 -1.166 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.731 2.109 1.804 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.904 3.282 1.159 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.804 3.756 2.476 1.00 0.22 H new ATOM 290 N ILE A 795 -2.917 5.655 0.915 1.00 0.18 N ATOM 291 CA ILE A 795 -4.256 5.289 1.357 1.00 0.20 C ATOM 292 C ILE A 795 -5.304 5.695 0.323 1.00 0.19 C ATOM 293 O ILE A 795 -6.167 4.897 -0.040 1.00 0.20 O ATOM 294 CB ILE A 795 -4.591 5.949 2.717 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.766 5.310 3.838 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.080 5.861 3.029 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.991 3.820 3.994 1.00 0.48 C ATOM 0 H ILE A 795 -2.418 6.264 1.563 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.275 4.205 1.474 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.331 7.005 2.649 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.708 5.489 3.645 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.006 5.804 4.779 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.279 6.334 3.991 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.646 6.371 2.250 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.382 4.814 3.070 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.372 3.442 4.807 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -5.041 3.632 4.220 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.723 3.313 3.067 1.00 0.48 H new ATOM 309 N MET A 796 -5.218 6.934 -0.146 1.00 0.22 N ATOM 310 CA MET A 796 -6.177 7.454 -1.116 1.00 0.26 C ATOM 311 C MET A 796 -6.097 6.693 -2.432 1.00 0.22 C ATOM 312 O MET A 796 -7.126 6.330 -3.007 1.00 0.23 O ATOM 313 CB MET A 796 -5.946 8.946 -1.359 1.00 0.38 C ATOM 314 CG MET A 796 -6.043 9.786 -0.099 1.00 0.93 C ATOM 315 SD MET A 796 -7.602 9.547 0.773 1.00 2.03 S ATOM 316 CE MET A 796 -7.277 10.462 2.277 1.00 2.69 C ATOM 0 H MET A 796 -4.494 7.598 0.129 1.00 0.22 H new ATOM 0 HA MET A 796 -7.175 7.315 -0.700 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.961 9.085 -1.804 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.677 9.306 -2.083 1.00 0.38 H new ATOM 0 HG2 MET A 796 -5.217 9.534 0.566 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.934 10.839 -0.359 1.00 0.93 H new ATOM 0 HE1 MET A 796 -8.149 10.412 2.929 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.417 10.029 2.788 1.00 2.69 H new ATOM 0 HE3 MET A 796 -7.066 11.503 2.031 1.00 2.69 H new ATOM 326 N ALA A 797 -4.877 6.422 -2.890 1.00 0.21 N ATOM 327 CA ALA A 797 -4.677 5.664 -4.120 1.00 0.22 C ATOM 328 C ALA A 797 -5.288 4.281 -3.994 1.00 0.21 C ATOM 329 O ALA A 797 -6.074 3.865 -4.841 1.00 0.26 O ATOM 330 CB ALA A 797 -3.199 5.551 -4.463 1.00 0.27 C ATOM 0 H ALA A 797 -4.016 6.715 -2.429 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.174 6.201 -4.928 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.082 4.981 -5.385 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -2.779 6.548 -4.597 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.675 5.043 -3.653 1.00 0.27 H new ATOM 336 N ILE A 798 -4.987 3.610 -2.887 1.00 0.20 N ATOM 337 CA ILE A 798 -5.556 2.301 -2.612 1.00 0.26 C ATOM 338 C ILE A 798 -7.074 2.384 -2.545 1.00 0.27 C ATOM 339 O ILE A 798 -7.773 1.616 -3.194 1.00 0.33 O ATOM 340 CB ILE A 798 -5.033 1.714 -1.279 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.528 1.485 -1.330 1.00 0.32 C ATOM 342 CG2 ILE A 798 -5.731 0.406 -0.967 1.00 0.43 C ATOM 343 CD1 ILE A 798 -2.950 0.962 -0.030 1.00 0.67 C ATOM 0 H ILE A 798 -4.352 3.954 -2.167 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.251 1.645 -3.427 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.249 2.438 -0.493 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.303 0.778 -2.128 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.035 2.423 -1.586 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.352 0.006 -0.026 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -6.804 0.577 -0.882 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.540 -0.308 -1.768 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -1.875 0.823 -0.140 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.143 1.678 0.768 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.416 0.008 0.218 1.00 0.67 H new ATOM 355 N ASN A 799 -7.571 3.309 -1.738 1.00 0.27 N ATOM 356 CA ASN A 799 -9.004 3.456 -1.515 1.00 0.33 C ATOM 357 C ASN A 799 -9.767 3.661 -2.814 1.00 0.31 C ATOM 358 O ASN A 799 -10.732 2.947 -3.090 1.00 0.40 O ATOM 359 CB ASN A 799 -9.272 4.624 -0.564 1.00 0.40 C ATOM 360 CG ASN A 799 -9.725 4.165 0.807 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.646 4.911 1.781 1.00 1.21 O ATOM 362 ND2 ASN A 799 -10.231 2.944 0.886 1.00 0.70 N ATOM 0 H ASN A 799 -6.998 3.976 -1.221 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.360 2.529 -1.066 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.366 5.221 -0.462 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.034 5.273 -0.996 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -10.573 2.591 1.779 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -10.278 2.357 0.053 1.00 0.70 H new ATOM 369 N SER A 800 -9.323 4.615 -3.616 1.00 0.30 N ATOM 370 CA SER A 800 -9.970 4.899 -4.887 1.00 0.35 C ATOM 371 C SER A 800 -9.864 3.697 -5.817 1.00 0.33 C ATOM 372 O SER A 800 -10.825 3.332 -6.496 1.00 0.41 O ATOM 373 CB SER A 800 -9.331 6.131 -5.540 1.00 0.44 C ATOM 374 OG SER A 800 -10.018 6.502 -6.724 1.00 1.29 O ATOM 0 H SER A 800 -8.517 5.206 -3.410 1.00 0.30 H new ATOM 0 HA SER A 800 -11.025 5.104 -4.703 1.00 0.35 H new ATOM 0 HB2 SER A 800 -9.339 6.963 -4.836 1.00 0.44 H new ATOM 0 HB3 SER A 800 -8.287 5.921 -5.773 1.00 0.44 H new ATOM 0 HG SER A 800 -9.590 7.291 -7.117 1.00 1.29 H new ATOM 380 N LYS A 801 -8.675 3.113 -5.874 1.00 0.29 N ATOM 381 CA LYS A 801 -8.404 2.007 -6.778 1.00 0.36 C ATOM 382 C LYS A 801 -9.173 0.742 -6.374 1.00 0.43 C ATOM 383 O LYS A 801 -9.639 0.000 -7.242 1.00 0.58 O ATOM 384 CB LYS A 801 -6.903 1.744 -6.841 1.00 0.43 C ATOM 385 CG LYS A 801 -6.481 0.955 -8.064 1.00 0.86 C ATOM 386 CD LYS A 801 -4.990 0.686 -8.060 1.00 1.06 C ATOM 387 CE LYS A 801 -4.503 0.278 -9.439 1.00 1.13 C ATOM 388 NZ LYS A 801 -3.141 -0.308 -9.397 1.00 1.95 N ATOM 0 H LYS A 801 -7.879 3.390 -5.300 1.00 0.29 H new ATOM 0 HA LYS A 801 -8.754 2.285 -7.772 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.374 2.697 -6.832 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -6.599 1.202 -5.945 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.023 0.010 -8.094 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.751 1.506 -8.965 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.457 1.579 -7.733 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -4.762 -0.102 -7.343 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -5.196 -0.446 -9.869 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -4.503 1.148 -10.096 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -2.901 -0.696 -10.332 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -2.454 0.429 -9.141 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -3.112 -1.069 -8.689 1.00 1.95 H new ATOM 402 N ILE A 802 -9.310 0.501 -5.063 1.00 0.39 N ATOM 403 CA ILE A 802 -10.045 -0.669 -4.563 1.00 0.52 C ATOM 404 C ILE A 802 -11.468 -0.677 -5.111 1.00 0.70 C ATOM 405 O ILE A 802 -11.919 -1.677 -5.666 1.00 1.56 O ATOM 406 CB ILE A 802 -10.096 -0.727 -3.007 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.720 -1.067 -2.435 1.00 0.64 C ATOM 408 CG2 ILE A 802 -11.114 -1.757 -2.526 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.713 -1.224 -0.927 1.00 0.71 C ATOM 0 H ILE A 802 -8.923 1.098 -4.332 1.00 0.39 H new ATOM 0 HA ILE A 802 -9.502 -1.548 -4.912 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.400 0.258 -2.653 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.365 -1.992 -2.890 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.016 -0.283 -2.714 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -11.127 -1.774 -1.436 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -12.104 -1.491 -2.896 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.839 -2.743 -2.901 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.704 -1.465 -0.591 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -9.038 -0.293 -0.463 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -9.392 -2.028 -0.642 1.00 0.71 H new ATOM 421 N SER A 803 -12.134 0.464 -5.018 1.00 1.05 N ATOM 422 CA SER A 803 -13.475 0.604 -5.553 1.00 1.14 C ATOM 423 C SER A 803 -13.931 2.049 -5.429 1.00 1.66 C ATOM 424 O SER A 803 -14.006 2.589 -4.323 1.00 2.28 O ATOM 425 CB SER A 803 -14.440 -0.318 -4.799 1.00 2.03 C ATOM 426 OG SER A 803 -15.645 -0.512 -5.519 1.00 2.88 O ATOM 0 H SER A 803 -11.765 1.306 -4.576 1.00 1.05 H new ATOM 0 HA SER A 803 -13.469 0.322 -6.606 1.00 1.14 H new ATOM 0 HB2 SER A 803 -13.961 -1.281 -4.623 1.00 2.03 H new ATOM 0 HB3 SER A 803 -14.664 0.110 -3.822 1.00 2.03 H new ATOM 0 HG SER A 803 -16.237 -1.106 -5.012 1.00 2.88 H new ATOM 432 N ASN A 804 -14.280 2.657 -6.555 1.00 2.33 N ATOM 433 CA ASN A 804 -14.788 4.028 -6.570 1.00 3.40 C ATOM 434 C ASN A 804 -16.252 4.042 -6.125 1.00 3.88 C ATOM 435 O ASN A 804 -17.143 4.436 -6.872 1.00 4.66 O ATOM 436 CB ASN A 804 -14.641 4.631 -7.972 1.00 4.12 C ATOM 437 CG ASN A 804 -14.997 6.112 -8.048 1.00 4.56 C ATOM 438 OD1 ASN A 804 -15.171 6.661 -9.135 1.00 5.02 O ATOM 439 ND2 ASN A 804 -15.071 6.783 -6.910 1.00 4.87 N ATOM 0 H ASN A 804 -14.221 2.222 -7.476 1.00 2.33 H new ATOM 0 HA ASN A 804 -14.207 4.634 -5.875 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -13.613 4.497 -8.309 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -15.277 4.078 -8.663 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -15.277 7.782 -6.919 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -14.922 6.301 -6.023 1.00 4.87 H new ATOM 446 N THR A 805 -16.501 3.439 -4.975 1.00 3.74 N ATOM 447 CA THR A 805 -17.851 3.220 -4.494 1.00 4.53 C ATOM 448 C THR A 805 -18.264 4.298 -3.488 1.00 4.65 C ATOM 449 O THR A 805 -19.435 4.668 -3.409 1.00 5.32 O ATOM 450 CB THR A 805 -17.967 1.811 -3.878 1.00 4.91 C ATOM 451 OG1 THR A 805 -19.326 1.512 -3.542 1.00 5.49 O ATOM 452 CG2 THR A 805 -17.082 1.675 -2.647 1.00 4.80 C ATOM 0 H THR A 805 -15.774 3.089 -4.351 1.00 3.74 H new ATOM 0 HA THR A 805 -18.535 3.288 -5.340 1.00 4.53 H new ATOM 0 HB THR A 805 -17.627 1.096 -4.627 1.00 4.91 H new ATOM 0 HG1 THR A 805 -19.403 0.564 -3.305 1.00 5.49 H new ATOM 0 HG21 THR A 805 -17.185 0.671 -2.234 1.00 4.80 H new ATOM 0 HG22 THR A 805 -16.042 1.848 -2.925 1.00 4.80 H new ATOM 0 HG23 THR A 805 -17.384 2.408 -1.899 1.00 4.80 H new ATOM 460 N HIS A 806 -17.279 4.825 -2.754 1.00 4.26 N ATOM 461 CA HIS A 806 -17.497 5.901 -1.782 1.00 4.59 C ATOM 462 C HIS A 806 -18.303 5.440 -0.572 1.00 4.36 C ATOM 463 O HIS A 806 -19.280 6.080 -0.183 1.00 4.80 O ATOM 464 CB HIS A 806 -18.165 7.124 -2.429 1.00 5.01 C ATOM 465 CG HIS A 806 -17.235 7.923 -3.287 1.00 5.39 C ATOM 466 ND1 HIS A 806 -17.515 9.198 -3.725 1.00 5.99 N ATOM 467 CD2 HIS A 806 -16.017 7.616 -3.781 1.00 5.63 C ATOM 468 CE1 HIS A 806 -16.505 9.642 -4.450 1.00 6.49 C ATOM 469 NE2 HIS A 806 -15.579 8.702 -4.499 1.00 6.32 N ATOM 0 H HIS A 806 -16.308 4.518 -2.817 1.00 4.26 H new ATOM 0 HA HIS A 806 -16.508 6.193 -1.429 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -19.009 6.791 -3.033 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -18.567 7.766 -1.646 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -15.485 6.687 -3.638 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -16.446 10.611 -4.923 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -14.687 8.771 -4.989 1.00 6.32 H new ATOM 478 N ASN A 807 -17.797 4.422 0.109 1.00 4.08 N ATOM 479 CA ASN A 807 -18.371 3.986 1.379 1.00 4.33 C ATOM 480 C ASN A 807 -17.308 3.291 2.219 1.00 3.86 C ATOM 481 O ASN A 807 -16.952 3.766 3.296 1.00 4.10 O ATOM 482 CB ASN A 807 -19.595 3.078 1.171 1.00 4.87 C ATOM 483 CG ASN A 807 -19.430 2.069 0.049 1.00 5.24 C ATOM 484 OD1 ASN A 807 -18.585 1.178 0.107 1.00 5.49 O ATOM 485 ND2 ASN A 807 -20.240 2.209 -0.987 1.00 5.72 N ATOM 0 H ASN A 807 -16.988 3.880 -0.195 1.00 4.08 H new ATOM 0 HA ASN A 807 -18.720 4.869 1.914 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -19.801 2.544 2.099 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -20.465 3.700 0.962 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -20.176 1.565 -1.775 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -20.929 2.961 -0.998 1.00 5.72 H new ATOM 492 N ASN A 808 -16.702 2.256 1.662 1.00 3.63 N ATOM 493 CA ASN A 808 -15.570 1.594 2.298 1.00 3.49 C ATOM 494 C ASN A 808 -14.272 2.279 1.880 1.00 2.65 C ATOM 495 O ASN A 808 -13.275 1.621 1.582 1.00 3.08 O ATOM 496 CB ASN A 808 -15.518 0.105 1.920 1.00 4.33 C ATOM 497 CG ASN A 808 -16.670 -0.710 2.489 1.00 4.99 C ATOM 498 OD1 ASN A 808 -16.670 -1.940 2.407 1.00 5.77 O ATOM 499 ND2 ASN A 808 -17.666 -0.039 3.044 1.00 5.03 N ATOM 0 H ASN A 808 -16.975 1.853 0.766 1.00 3.63 H new ATOM 0 HA ASN A 808 -15.692 1.668 3.379 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -15.522 0.014 0.834 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -14.577 -0.318 2.272 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -18.470 -0.540 3.422 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -17.630 0.979 3.093 1.00 5.03 H new ATOM 506 N ASN A 809 -14.313 3.604 1.788 1.00 1.96 N ATOM 507 CA ASN A 809 -13.166 4.366 1.322 1.00 1.56 C ATOM 508 C ASN A 809 -12.754 5.402 2.357 1.00 1.72 C ATOM 509 O ASN A 809 -12.185 6.439 2.020 1.00 2.42 O ATOM 510 CB ASN A 809 -13.465 5.072 -0.007 1.00 1.91 C ATOM 511 CG ASN A 809 -14.037 4.157 -1.070 1.00 2.28 C ATOM 512 OD1 ASN A 809 -15.162 3.661 -0.956 1.00 3.06 O ATOM 513 ND2 ASN A 809 -13.271 3.942 -2.124 1.00 2.55 N ATOM 0 H ASN A 809 -15.127 4.169 2.030 1.00 1.96 H new ATOM 0 HA ASN A 809 -12.350 3.660 1.168 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -14.167 5.886 0.175 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -12.546 5.521 -0.384 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -13.603 3.347 -2.883 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -12.347 4.371 -2.179 1.00 2.55 H new ATOM 520 N ILE A 810 -12.964 5.074 3.623 1.00 1.83 N ATOM 521 CA ILE A 810 -12.486 5.913 4.711 1.00 2.18 C ATOM 522 C ILE A 810 -11.042 5.540 4.999 1.00 1.94 C ATOM 523 O ILE A 810 -10.135 6.374 4.950 1.00 2.25 O ATOM 524 CB ILE A 810 -13.324 5.717 5.991 1.00 2.63 C ATOM 525 CG1 ILE A 810 -14.818 5.905 5.690 1.00 3.05 C ATOM 526 CG2 ILE A 810 -12.870 6.677 7.081 1.00 3.04 C ATOM 527 CD1 ILE A 810 -15.167 7.270 5.134 1.00 3.44 C ATOM 0 H ILE A 810 -13.461 4.235 3.922 1.00 1.83 H new ATOM 0 HA ILE A 810 -12.573 6.958 4.412 1.00 2.18 H new ATOM 0 HB ILE A 810 -13.172 4.699 6.349 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -15.134 5.142 4.978 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -15.386 5.741 6.606 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -13.473 6.523 7.976 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -11.821 6.493 7.314 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -12.990 7.704 6.735 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -16.240 7.324 4.948 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -14.885 8.039 5.853 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -14.628 7.431 4.200 1.00 3.44 H new ATOM 539 N SER A 811 -10.837 4.243 5.095 1.00 1.61 N ATOM 540 CA SER A 811 -9.520 3.661 5.192 1.00 1.34 C ATOM 541 C SER A 811 -9.600 2.263 4.600 1.00 1.12 C ATOM 542 O SER A 811 -10.605 1.574 4.782 1.00 1.24 O ATOM 543 CB SER A 811 -9.053 3.616 6.651 1.00 1.36 C ATOM 544 OG SER A 811 -7.639 3.546 6.735 1.00 1.89 O ATOM 0 H SER A 811 -11.592 3.557 5.108 1.00 1.61 H new ATOM 0 HA SER A 811 -8.793 4.262 4.646 1.00 1.34 H new ATOM 0 HB2 SER A 811 -9.408 4.503 7.177 1.00 1.36 H new ATOM 0 HB3 SER A 811 -9.493 2.752 7.150 1.00 1.36 H new ATOM 0 HG SER A 811 -7.368 3.520 7.676 1.00 1.89 H new ATOM 550 N PRO A 812 -8.627 1.874 3.772 1.00 0.88 N ATOM 551 CA PRO A 812 -8.657 0.596 3.056 1.00 0.80 C ATOM 552 C PRO A 812 -8.371 -0.587 3.966 1.00 0.77 C ATOM 553 O PRO A 812 -7.586 -1.462 3.616 1.00 0.82 O ATOM 554 CB PRO A 812 -7.553 0.731 1.997 1.00 0.77 C ATOM 555 CG PRO A 812 -7.136 2.164 2.019 1.00 0.75 C ATOM 556 CD PRO A 812 -7.471 2.683 3.387 1.00 0.82 C ATOM 0 HA PRO A 812 -9.643 0.403 2.633 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.712 0.076 2.224 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.921 0.447 1.011 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.069 2.261 1.818 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.659 2.732 1.250 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -6.640 2.556 4.081 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -7.711 3.746 3.368 1.00 0.82 H new ATOM 564 N ILE A 813 -8.988 -0.570 5.144 1.00 0.87 N ATOM 565 CA ILE A 813 -8.755 -1.571 6.172 1.00 0.96 C ATOM 566 C ILE A 813 -7.347 -1.416 6.724 1.00 0.96 C ATOM 567 O ILE A 813 -6.368 -1.654 6.031 1.00 1.64 O ATOM 568 CB ILE A 813 -8.958 -3.010 5.646 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.364 -3.172 5.056 1.00 1.46 C ATOM 570 CG2 ILE A 813 -8.728 -4.022 6.757 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.474 -2.851 6.032 1.00 1.67 C ATOM 0 H ILE A 813 -9.666 0.144 5.410 1.00 0.87 H new ATOM 0 HA ILE A 813 -9.488 -1.409 6.962 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.229 -3.194 4.857 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.460 -2.524 4.185 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -10.485 -4.197 4.706 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -8.875 -5.029 6.368 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -7.710 -3.924 7.134 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -9.434 -3.839 7.567 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.439 -2.988 5.544 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.405 -3.516 6.893 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.379 -1.817 6.364 1.00 1.67 H new ATOM 583 N THR A 814 -7.250 -0.932 7.948 1.00 0.83 N ATOM 584 CA THR A 814 -5.956 -0.633 8.540 1.00 0.84 C ATOM 585 C THR A 814 -5.117 -1.896 8.722 1.00 0.71 C ATOM 586 O THR A 814 -3.890 -1.835 8.760 1.00 1.08 O ATOM 587 CB THR A 814 -6.123 0.117 9.870 1.00 1.10 C ATOM 588 OG1 THR A 814 -6.955 -0.634 10.766 1.00 1.03 O ATOM 589 CG2 THR A 814 -6.745 1.481 9.617 1.00 1.90 C ATOM 0 H THR A 814 -8.049 -0.737 8.552 1.00 0.83 H new ATOM 0 HA THR A 814 -5.419 0.017 7.849 1.00 0.84 H new ATOM 0 HB THR A 814 -5.141 0.245 10.325 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.051 -0.145 11.610 1.00 1.03 H new ATOM 0 HG21 THR A 814 -6.861 2.009 10.563 1.00 1.90 H new ATOM 0 HG22 THR A 814 -6.099 2.059 8.956 1.00 1.90 H new ATOM 0 HG23 THR A 814 -7.722 1.355 9.150 1.00 1.90 H new ATOM 597 N LYS A 815 -5.779 -3.048 8.674 1.00 0.61 N ATOM 598 CA LYS A 815 -5.087 -4.332 8.660 1.00 0.82 C ATOM 599 C LYS A 815 -4.627 -4.670 7.236 1.00 0.88 C ATOM 600 O LYS A 815 -4.814 -5.788 6.760 1.00 1.68 O ATOM 601 CB LYS A 815 -6.002 -5.444 9.190 1.00 1.16 C ATOM 602 CG LYS A 815 -6.073 -5.554 10.712 1.00 1.29 C ATOM 603 CD LYS A 815 -6.709 -4.334 11.362 1.00 1.45 C ATOM 604 CE LYS A 815 -5.664 -3.415 11.976 1.00 1.74 C ATOM 605 NZ LYS A 815 -4.831 -4.123 12.982 1.00 2.52 N ATOM 0 H LYS A 815 -6.796 -3.118 8.644 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.214 -4.259 9.309 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -7.009 -5.279 8.806 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.660 -6.398 8.788 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -6.644 -6.443 10.981 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -5.067 -5.689 11.109 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -7.285 -3.784 10.618 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -7.409 -4.656 12.133 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -5.024 -3.016 11.189 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -6.158 -2.565 12.446 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -4.572 -3.464 13.744 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -5.369 -4.919 13.380 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -3.968 -4.482 12.527 1.00 2.52 H new ATOM 619 N ILE A 816 -4.020 -3.698 6.572 1.00 0.43 N ATOM 620 CA ILE A 816 -3.489 -3.887 5.232 1.00 0.34 C ATOM 621 C ILE A 816 -2.073 -4.419 5.298 1.00 0.30 C ATOM 622 O ILE A 816 -1.315 -4.118 6.223 1.00 0.33 O ATOM 623 CB ILE A 816 -3.470 -2.588 4.385 1.00 0.39 C ATOM 624 CG1 ILE A 816 -3.252 -1.343 5.255 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.738 -2.464 3.564 1.00 0.55 C ATOM 626 CD1 ILE A 816 -3.119 -0.064 4.453 1.00 1.06 C ATOM 0 H ILE A 816 -3.882 -2.759 6.946 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.160 -4.597 4.749 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.624 -2.655 3.701 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -4.087 -1.243 5.949 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -2.353 -1.482 5.856 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.703 -1.546 2.978 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.823 -3.320 2.894 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.601 -2.437 4.229 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -2.967 0.776 5.131 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -2.267 -0.145 3.778 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -4.027 0.098 3.873 1.00 1.06 H new ATOM 638 N LYS A 817 -1.699 -5.119 4.259 1.00 0.26 N ATOM 639 CA LYS A 817 -0.362 -5.647 4.123 1.00 0.24 C ATOM 640 C LYS A 817 0.193 -5.225 2.789 1.00 0.23 C ATOM 641 O LYS A 817 -0.558 -5.056 1.840 1.00 0.24 O ATOM 642 CB LYS A 817 -0.382 -7.164 4.222 1.00 0.33 C ATOM 643 CG LYS A 817 -0.170 -7.677 5.626 1.00 0.74 C ATOM 644 CD LYS A 817 -0.106 -9.188 5.661 1.00 0.68 C ATOM 645 CE LYS A 817 -0.213 -9.698 7.083 1.00 1.18 C ATOM 646 NZ LYS A 817 0.028 -11.160 7.173 1.00 1.35 N ATOM 0 H LYS A 817 -2.315 -5.341 3.477 1.00 0.26 H new ATOM 0 HA LYS A 817 0.267 -5.259 4.924 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.338 -7.532 3.849 1.00 0.33 H new ATOM 0 HB3 LYS A 817 0.392 -7.573 3.573 1.00 0.33 H new ATOM 0 HG2 LYS A 817 0.754 -7.263 6.030 1.00 0.74 H new ATOM 0 HG3 LYS A 817 -0.981 -7.331 6.267 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.913 -9.605 5.059 1.00 0.68 H new ATOM 0 HD3 LYS A 817 0.830 -9.527 5.218 1.00 0.68 H new ATOM 0 HE2 LYS A 817 0.507 -9.173 7.711 1.00 1.18 H new ATOM 0 HE3 LYS A 817 -1.204 -9.470 7.476 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 -0.055 -11.465 8.164 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 -0.675 -11.664 6.595 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.983 -11.377 6.823 1.00 1.35 H new ATOM 660 N TYR A 818 1.484 -5.001 2.722 1.00 0.20 N ATOM 661 CA TYR A 818 2.077 -4.519 1.501 1.00 0.19 C ATOM 662 C TYR A 818 3.196 -5.444 1.085 1.00 0.18 C ATOM 663 O TYR A 818 3.808 -6.131 1.909 1.00 0.19 O ATOM 664 CB TYR A 818 2.581 -3.069 1.651 1.00 0.20 C ATOM 665 CG TYR A 818 3.980 -2.933 2.222 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.103 -3.091 1.417 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.179 -2.662 3.568 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.377 -2.988 1.936 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.451 -2.549 4.094 1.00 0.27 C ATOM 670 CZ TYR A 818 6.547 -2.717 3.275 1.00 0.26 C ATOM 671 OH TYR A 818 7.819 -2.620 3.794 1.00 0.30 O ATOM 0 H TYR A 818 2.138 -5.144 3.492 1.00 0.20 H new ATOM 0 HA TYR A 818 1.314 -4.511 0.722 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.556 -2.588 0.673 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.888 -2.524 2.292 1.00 0.20 H new ATOM 0 HD1 TYR A 818 4.975 -3.298 0.365 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.324 -2.537 4.216 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.236 -3.119 1.295 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.586 -2.330 5.143 1.00 0.27 H new ATOM 0 HH TYR A 818 7.767 -2.424 4.753 1.00 0.30 H new ATOM 681 N GLN A 819 3.289 -5.602 -0.209 1.00 0.17 N ATOM 682 CA GLN A 819 4.162 -6.568 -0.822 1.00 0.19 C ATOM 683 C GLN A 819 5.002 -5.879 -1.870 1.00 0.19 C ATOM 684 O GLN A 819 4.569 -4.907 -2.480 1.00 0.18 O ATOM 685 CB GLN A 819 3.350 -7.710 -1.451 1.00 0.22 C ATOM 686 CG GLN A 819 4.200 -8.764 -2.151 1.00 0.35 C ATOM 687 CD GLN A 819 3.370 -9.806 -2.874 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.464 -10.402 -2.303 1.00 1.08 O ATOM 689 NE2 GLN A 819 3.682 -10.041 -4.137 1.00 0.90 N ATOM 0 H GLN A 819 2.750 -5.053 -0.879 1.00 0.17 H new ATOM 0 HA GLN A 819 4.812 -6.999 -0.061 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.759 -8.193 -0.673 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.647 -7.289 -2.170 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.862 -8.274 -2.865 1.00 0.35 H new ATOM 0 HG3 GLN A 819 4.835 -9.259 -1.416 1.00 0.35 H new ATOM 0 HE21 GLN A 819 4.443 -9.525 -4.579 1.00 0.90 H new ATOM 0 HE22 GLN A 819 3.162 -10.738 -4.670 1.00 0.90 H new ATOM 698 N ASP A 820 6.209 -6.356 -2.036 1.00 0.22 N ATOM 699 CA ASP A 820 7.160 -5.736 -2.934 1.00 0.24 C ATOM 700 C ASP A 820 7.640 -6.771 -3.928 1.00 0.28 C ATOM 701 O ASP A 820 7.580 -7.973 -3.636 1.00 0.38 O ATOM 702 CB ASP A 820 8.348 -5.188 -2.145 1.00 0.31 C ATOM 703 CG ASP A 820 9.556 -4.932 -3.022 1.00 0.96 C ATOM 704 OD1 ASP A 820 9.491 -4.016 -3.865 1.00 1.73 O ATOM 705 OD2 ASP A 820 10.585 -5.606 -2.841 1.00 1.38 O ATOM 0 H ASP A 820 6.563 -7.183 -1.556 1.00 0.22 H new ATOM 0 HA ASP A 820 6.680 -4.910 -3.460 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.057 -4.260 -1.653 1.00 0.31 H new ATOM 0 HB3 ASP A 820 8.616 -5.895 -1.360 1.00 0.31 H new ATOM 710 N GLU A 821 7.901 -6.309 -5.158 1.00 0.28 N ATOM 711 CA GLU A 821 8.218 -7.170 -6.304 1.00 0.38 C ATOM 712 C GLU A 821 9.172 -8.309 -5.935 1.00 0.85 C ATOM 713 O GLU A 821 9.046 -9.422 -6.446 1.00 0.63 O ATOM 714 CB GLU A 821 8.826 -6.328 -7.428 1.00 1.20 C ATOM 715 CG GLU A 821 8.735 -6.976 -8.801 1.00 1.63 C ATOM 716 CD GLU A 821 9.366 -6.132 -9.889 1.00 2.62 C ATOM 717 OE1 GLU A 821 10.096 -5.173 -9.560 1.00 3.38 O ATOM 718 OE2 GLU A 821 9.163 -6.439 -11.081 1.00 3.04 O ATOM 0 H GLU A 821 7.898 -5.315 -5.387 1.00 0.28 H new ATOM 0 HA GLU A 821 7.285 -7.625 -6.637 1.00 0.38 H new ATOM 0 HB2 GLU A 821 8.322 -5.362 -7.459 1.00 1.20 H new ATOM 0 HB3 GLU A 821 9.873 -6.134 -7.197 1.00 1.20 H new ATOM 0 HG2 GLU A 821 9.225 -7.949 -8.772 1.00 1.63 H new ATOM 0 HG3 GLU A 821 7.688 -7.153 -9.046 1.00 1.63 H new ATOM 725 N ASP A 822 10.091 -8.029 -5.019 1.00 1.90 N ATOM 726 CA ASP A 822 11.055 -9.026 -4.533 1.00 2.86 C ATOM 727 C ASP A 822 10.338 -10.273 -4.011 1.00 2.24 C ATOM 728 O ASP A 822 10.813 -11.399 -4.174 1.00 2.49 O ATOM 729 CB ASP A 822 11.923 -8.412 -3.421 1.00 3.96 C ATOM 730 CG ASP A 822 13.011 -9.344 -2.909 1.00 5.04 C ATOM 731 OD1 ASP A 822 12.670 -10.344 -2.243 1.00 5.63 O ATOM 732 OD2 ASP A 822 14.206 -9.093 -3.174 1.00 5.45 O ATOM 0 H ASP A 822 10.194 -7.110 -4.589 1.00 1.90 H new ATOM 0 HA ASP A 822 11.692 -9.324 -5.366 1.00 2.86 H new ATOM 0 HB2 ASP A 822 12.386 -7.499 -3.796 1.00 3.96 H new ATOM 0 HB3 ASP A 822 11.281 -8.125 -2.588 1.00 3.96 H new ATOM 737 N GLY A 823 9.183 -10.058 -3.401 1.00 1.39 N ATOM 738 CA GLY A 823 8.417 -11.144 -2.834 1.00 0.79 C ATOM 739 C GLY A 823 8.406 -11.057 -1.329 1.00 0.74 C ATOM 740 O GLY A 823 8.886 -11.956 -0.643 1.00 0.91 O ATOM 0 H GLY A 823 8.759 -9.137 -3.288 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.395 -11.112 -3.213 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.843 -12.098 -3.145 1.00 0.79 H new ATOM 744 N ASP A 824 7.994 -9.905 -0.825 1.00 0.55 N ATOM 745 CA ASP A 824 8.079 -9.626 0.604 1.00 0.53 C ATOM 746 C ASP A 824 6.733 -9.160 1.136 1.00 0.40 C ATOM 747 O ASP A 824 5.970 -8.521 0.418 1.00 0.32 O ATOM 748 CB ASP A 824 9.156 -8.565 0.867 1.00 0.61 C ATOM 749 CG ASP A 824 9.393 -8.311 2.343 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.556 -9.288 3.105 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.380 -7.133 2.758 1.00 1.47 O ATOM 0 H ASP A 824 7.598 -9.147 -1.381 1.00 0.55 H new ATOM 0 HA ASP A 824 8.354 -10.543 1.125 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.091 -8.882 0.404 1.00 0.61 H new ATOM 0 HB3 ASP A 824 8.863 -7.632 0.386 1.00 0.61 H new ATOM 756 N PHE A 825 6.433 -9.527 2.374 1.00 0.43 N ATOM 757 CA PHE A 825 5.151 -9.201 2.989 1.00 0.38 C ATOM 758 C PHE A 825 5.362 -8.497 4.316 1.00 0.40 C ATOM 759 O PHE A 825 6.156 -8.933 5.152 1.00 0.47 O ATOM 760 CB PHE A 825 4.324 -10.461 3.253 1.00 0.47 C ATOM 761 CG PHE A 825 3.265 -10.759 2.231 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.006 -10.175 2.324 1.00 0.55 C ATOM 763 CD2 PHE A 825 3.511 -11.645 1.197 1.00 0.91 C ATOM 764 CE1 PHE A 825 1.025 -10.472 1.408 1.00 0.80 C ATOM 765 CE2 PHE A 825 2.525 -11.950 0.279 1.00 1.16 C ATOM 766 CZ PHE A 825 1.279 -11.363 0.386 1.00 1.04 C ATOM 0 H PHE A 825 7.064 -10.055 2.977 1.00 0.43 H new ATOM 0 HA PHE A 825 4.620 -8.552 2.293 1.00 0.38 H new ATOM 0 HB2 PHE A 825 5.000 -11.314 3.311 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.847 -10.365 4.229 1.00 0.47 H new ATOM 0 HD1 PHE A 825 1.797 -9.481 3.124 1.00 0.55 H new ATOM 0 HD2 PHE A 825 4.485 -12.103 1.107 1.00 0.91 H new ATOM 0 HE1 PHE A 825 0.054 -10.007 1.489 1.00 0.80 H new ATOM 0 HE2 PHE A 825 2.728 -12.646 -0.521 1.00 1.16 H new ATOM 0 HZ PHE A 825 0.505 -11.601 -0.329 1.00 1.04 H new ATOM 776 N VAL A 826 4.679 -7.380 4.467 1.00 0.35 N ATOM 777 CA VAL A 826 4.785 -6.532 5.642 1.00 0.39 C ATOM 778 C VAL A 826 3.421 -5.922 5.925 1.00 0.31 C ATOM 779 O VAL A 826 2.627 -5.729 5.008 1.00 0.29 O ATOM 780 CB VAL A 826 5.830 -5.400 5.467 1.00 0.52 C ATOM 781 CG1 VAL A 826 5.953 -4.567 6.735 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.189 -5.953 5.076 1.00 0.95 C ATOM 0 H VAL A 826 4.025 -7.029 3.768 1.00 0.35 H new ATOM 0 HA VAL A 826 5.120 -7.151 6.474 1.00 0.39 H new ATOM 0 HB VAL A 826 5.476 -4.759 4.660 1.00 0.52 H new ATOM 0 HG11 VAL A 826 6.693 -3.781 6.584 1.00 1.35 H new ATOM 0 HG12 VAL A 826 4.988 -4.117 6.970 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.266 -5.206 7.561 1.00 1.35 H new ATOM 0 HG21 VAL A 826 7.897 -5.132 4.962 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.543 -6.632 5.852 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.104 -6.493 4.133 1.00 0.95 H new ATOM 792 N VAL A 827 3.120 -5.674 7.184 1.00 0.33 N ATOM 793 CA VAL A 827 1.815 -5.161 7.560 1.00 0.32 C ATOM 794 C VAL A 827 2.004 -3.861 8.317 1.00 0.35 C ATOM 795 O VAL A 827 2.945 -3.724 9.103 1.00 0.40 O ATOM 796 CB VAL A 827 1.047 -6.179 8.438 1.00 0.37 C ATOM 797 CG1 VAL A 827 1.810 -6.498 9.716 1.00 0.98 C ATOM 798 CG2 VAL A 827 -0.353 -5.677 8.763 1.00 1.22 C ATOM 0 H VAL A 827 3.760 -5.819 7.965 1.00 0.33 H new ATOM 0 HA VAL A 827 1.226 -4.990 6.659 1.00 0.32 H new ATOM 0 HB VAL A 827 0.955 -7.100 7.862 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.243 -7.215 10.309 1.00 0.98 H new ATOM 0 HG12 VAL A 827 2.781 -6.923 9.463 1.00 0.98 H new ATOM 0 HG13 VAL A 827 1.953 -5.584 10.292 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.869 -6.412 9.381 1.00 1.22 H new ATOM 0 HG22 VAL A 827 -0.285 -4.733 9.304 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.909 -5.526 7.838 1.00 1.22 H new ATOM 808 N LEU A 828 1.297 -2.837 7.858 1.00 0.34 N ATOM 809 CA LEU A 828 1.586 -1.480 8.283 1.00 0.38 C ATOM 810 C LEU A 828 0.347 -0.756 8.779 1.00 0.44 C ATOM 811 O LEU A 828 -0.783 -1.183 8.537 1.00 0.48 O ATOM 812 CB LEU A 828 2.253 -0.689 7.137 1.00 0.38 C ATOM 813 CG LEU A 828 1.541 -0.685 5.772 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.248 0.115 5.810 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.463 -0.112 4.711 1.00 0.96 C ATOM 0 H LEU A 828 0.525 -2.922 7.196 1.00 0.34 H new ATOM 0 HA LEU A 828 2.278 -1.544 9.123 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.365 0.345 7.462 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.257 -1.088 6.992 1.00 0.38 H new ATOM 0 HG LEU A 828 1.289 -1.717 5.528 1.00 0.39 H new ATOM 0 HD11 LEU A 828 -0.223 0.092 4.827 1.00 1.03 H new ATOM 0 HD12 LEU A 828 -0.428 -0.320 6.546 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.467 1.147 6.084 1.00 1.03 H new ATOM 0 HD21 LEU A 828 1.953 -0.112 3.748 1.00 0.96 H new ATOM 0 HD22 LEU A 828 2.734 0.909 4.978 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.364 -0.721 4.645 1.00 0.96 H new ATOM 827 N GLY A 829 0.578 0.342 9.476 1.00 0.53 N ATOM 828 CA GLY A 829 -0.509 1.145 9.986 1.00 0.63 C ATOM 829 C GLY A 829 -0.023 2.290 10.846 1.00 0.73 C ATOM 830 O GLY A 829 -0.633 2.607 11.869 1.00 1.20 O ATOM 0 H GLY A 829 1.509 0.694 9.700 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -1.088 1.541 9.152 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -1.180 0.515 10.569 1.00 0.63 H new ATOM 834 N SER A 830 1.071 2.916 10.439 1.00 0.74 N ATOM 835 CA SER A 830 1.631 4.014 11.204 1.00 0.85 C ATOM 836 C SER A 830 2.210 5.087 10.278 1.00 0.98 C ATOM 837 O SER A 830 1.510 6.033 9.912 1.00 1.93 O ATOM 838 CB SER A 830 2.701 3.477 12.163 1.00 0.89 C ATOM 839 OG SER A 830 3.226 4.503 12.989 1.00 1.58 O ATOM 0 H SER A 830 1.584 2.683 9.589 1.00 0.74 H new ATOM 0 HA SER A 830 0.838 4.481 11.787 1.00 0.85 H new ATOM 0 HB2 SER A 830 2.271 2.692 12.786 1.00 0.89 H new ATOM 0 HB3 SER A 830 3.509 3.022 11.590 1.00 0.89 H new ATOM 0 HG SER A 830 3.903 4.126 13.588 1.00 1.58 H new ATOM 845 N ASP A 831 3.452 4.891 9.845 1.00 0.62 N ATOM 846 CA ASP A 831 4.126 5.820 8.940 1.00 0.62 C ATOM 847 C ASP A 831 5.530 5.315 8.637 1.00 0.58 C ATOM 848 O ASP A 831 5.933 5.223 7.483 1.00 0.97 O ATOM 849 CB ASP A 831 4.224 7.216 9.562 1.00 0.86 C ATOM 850 CG ASP A 831 4.827 8.236 8.616 1.00 1.20 C ATOM 851 OD1 ASP A 831 4.585 8.149 7.391 1.00 1.79 O ATOM 852 OD2 ASP A 831 5.522 9.155 9.101 1.00 1.74 O ATOM 0 H ASP A 831 4.019 4.086 10.110 1.00 0.62 H new ATOM 0 HA ASP A 831 3.542 5.882 8.021 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.229 7.547 9.861 1.00 0.86 H new ATOM 0 HB3 ASP A 831 4.828 7.164 10.468 1.00 0.86 H new ATOM 857 N GLU A 832 6.260 4.966 9.697 1.00 0.50 N ATOM 858 CA GLU A 832 7.624 4.443 9.580 1.00 0.44 C ATOM 859 C GLU A 832 7.660 3.170 8.742 1.00 0.34 C ATOM 860 O GLU A 832 8.562 2.968 7.932 1.00 0.34 O ATOM 861 CB GLU A 832 8.193 4.161 10.969 1.00 0.56 C ATOM 862 CG GLU A 832 7.237 3.380 11.858 1.00 1.41 C ATOM 863 CD GLU A 832 7.833 3.016 13.199 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.056 3.200 13.368 1.00 2.62 O ATOM 865 OE2 GLU A 832 7.082 2.565 14.093 1.00 2.93 O ATOM 0 H GLU A 832 5.925 5.037 10.658 1.00 0.50 H new ATOM 0 HA GLU A 832 8.232 5.197 9.080 1.00 0.44 H new ATOM 0 HB2 GLU A 832 9.124 3.603 10.867 1.00 0.56 H new ATOM 0 HB3 GLU A 832 8.440 5.106 11.453 1.00 0.56 H new ATOM 0 HG2 GLU A 832 6.335 3.970 12.017 1.00 1.41 H new ATOM 0 HG3 GLU A 832 6.935 2.468 11.343 1.00 1.41 H new ATOM 872 N ASP A 833 6.634 2.352 8.907 1.00 0.32 N ATOM 873 CA ASP A 833 6.470 1.130 8.134 1.00 0.29 C ATOM 874 C ASP A 833 6.349 1.446 6.644 1.00 0.24 C ATOM 875 O ASP A 833 7.076 0.898 5.809 1.00 0.23 O ATOM 876 CB ASP A 833 5.240 0.352 8.634 1.00 0.38 C ATOM 877 CG ASP A 833 4.074 1.241 9.061 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.061 2.426 8.672 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.171 0.770 9.779 1.00 1.50 O ATOM 0 H ASP A 833 5.888 2.516 9.583 1.00 0.32 H new ATOM 0 HA ASP A 833 7.353 0.506 8.271 1.00 0.29 H new ATOM 0 HB2 ASP A 833 4.902 -0.319 7.844 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.536 -0.272 9.477 1.00 0.38 H new ATOM 884 N TRP A 834 5.528 2.429 6.330 1.00 0.22 N ATOM 885 CA TRP A 834 5.423 2.905 4.965 1.00 0.20 C ATOM 886 C TRP A 834 6.738 3.545 4.526 1.00 0.19 C ATOM 887 O TRP A 834 7.200 3.325 3.409 1.00 0.18 O ATOM 888 CB TRP A 834 4.269 3.898 4.829 1.00 0.23 C ATOM 889 CG TRP A 834 4.159 4.492 3.465 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.000 5.808 3.161 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.217 3.794 2.218 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.937 5.974 1.801 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.074 4.754 1.202 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.375 2.452 1.860 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.084 4.416 -0.142 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.388 2.123 0.519 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.244 3.101 -0.462 1.00 0.19 C ATOM 0 H TRP A 834 4.927 2.912 6.998 1.00 0.22 H new ATOM 0 HA TRP A 834 5.218 2.054 4.315 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.334 3.394 5.075 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.400 4.699 5.557 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.933 6.606 3.885 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.809 6.862 1.316 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.485 1.689 2.616 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.969 5.168 -0.909 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.512 1.091 0.226 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.260 2.810 -1.502 1.00 0.19 H new ATOM 908 N ASN A 835 7.349 4.310 5.424 1.00 0.22 N ATOM 909 CA ASN A 835 8.611 4.985 5.139 1.00 0.25 C ATOM 910 C ASN A 835 9.683 3.988 4.705 1.00 0.21 C ATOM 911 O ASN A 835 10.345 4.189 3.685 1.00 0.21 O ATOM 912 CB ASN A 835 9.088 5.774 6.365 1.00 0.34 C ATOM 913 CG ASN A 835 10.239 6.718 6.051 1.00 1.15 C ATOM 914 OD1 ASN A 835 11.288 6.304 5.561 1.00 1.66 O ATOM 915 ND2 ASN A 835 10.058 7.993 6.344 1.00 2.00 N ATOM 0 H ASN A 835 6.988 4.479 6.363 1.00 0.22 H new ATOM 0 HA ASN A 835 8.440 5.680 4.317 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.254 6.348 6.768 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.399 5.075 7.142 1.00 0.34 H new ATOM 0 HD21 ASN A 835 10.801 8.668 6.164 1.00 2.00 H new ATOM 0 HD22 ASN A 835 9.175 8.303 6.750 1.00 2.00 H new ATOM 922 N VAL A 836 9.834 2.897 5.452 1.00 0.22 N ATOM 923 CA VAL A 836 10.831 1.889 5.105 1.00 0.25 C ATOM 924 C VAL A 836 10.493 1.220 3.773 1.00 0.19 C ATOM 925 O VAL A 836 11.387 0.990 2.954 1.00 0.19 O ATOM 926 CB VAL A 836 11.036 0.825 6.211 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.492 1.481 7.502 1.00 1.36 C ATOM 928 CG2 VAL A 836 9.784 -0.001 6.449 1.00 1.22 C ATOM 0 H VAL A 836 9.288 2.690 6.288 1.00 0.22 H new ATOM 0 HA VAL A 836 11.777 2.421 5.006 1.00 0.25 H new ATOM 0 HB VAL A 836 11.813 0.144 5.864 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.631 0.718 8.268 1.00 1.36 H new ATOM 0 HG12 VAL A 836 12.435 2.001 7.333 1.00 1.36 H new ATOM 0 HG13 VAL A 836 10.738 2.195 7.833 1.00 1.36 H new ATOM 0 HG21 VAL A 836 9.975 -0.734 7.233 1.00 1.22 H new ATOM 0 HG22 VAL A 836 8.969 0.654 6.756 1.00 1.22 H new ATOM 0 HG23 VAL A 836 9.508 -0.517 5.529 1.00 1.22 H new ATOM 938 N ALA A 837 9.200 1.001 3.510 1.00 0.16 N ATOM 939 CA ALA A 837 8.779 0.477 2.211 1.00 0.15 C ATOM 940 C ALA A 837 9.193 1.426 1.094 1.00 0.15 C ATOM 941 O ALA A 837 9.738 1.001 0.077 1.00 0.19 O ATOM 942 CB ALA A 837 7.275 0.250 2.166 1.00 0.17 C ATOM 0 H ALA A 837 8.440 1.176 4.168 1.00 0.16 H new ATOM 0 HA ALA A 837 9.274 -0.483 2.067 1.00 0.15 H new ATOM 0 HB1 ALA A 837 6.995 -0.140 1.187 1.00 0.17 H new ATOM 0 HB2 ALA A 837 6.992 -0.467 2.937 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.759 1.194 2.342 1.00 0.17 H new ATOM 948 N LYS A 838 8.940 2.714 1.297 1.00 0.14 N ATOM 949 CA LYS A 838 9.293 3.731 0.314 1.00 0.19 C ATOM 950 C LYS A 838 10.789 3.735 0.045 1.00 0.20 C ATOM 951 O LYS A 838 11.211 3.751 -1.112 1.00 0.24 O ATOM 952 CB LYS A 838 8.862 5.112 0.787 1.00 0.23 C ATOM 953 CG LYS A 838 7.381 5.220 1.078 1.00 0.23 C ATOM 954 CD LYS A 838 6.969 6.663 1.306 1.00 0.40 C ATOM 955 CE LYS A 838 7.491 7.204 2.625 1.00 0.49 C ATOM 956 NZ LYS A 838 7.121 8.630 2.823 1.00 1.22 N ATOM 0 H LYS A 838 8.490 3.079 2.136 1.00 0.14 H new ATOM 0 HA LYS A 838 8.768 3.488 -0.610 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.420 5.369 1.688 1.00 0.23 H new ATOM 0 HB3 LYS A 838 9.129 5.846 0.027 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.813 4.804 0.246 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.137 4.626 1.959 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.342 7.280 0.488 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.882 6.736 1.290 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.092 6.608 3.446 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.576 7.103 2.655 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 7.002 8.820 3.839 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.873 9.240 2.442 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 6.229 8.829 2.327 1.00 1.22 H new ATOM 970 N GLU A 839 11.585 3.688 1.113 1.00 0.21 N ATOM 971 CA GLU A 839 13.036 3.638 0.977 1.00 0.26 C ATOM 972 C GLU A 839 13.436 2.429 0.152 1.00 0.27 C ATOM 973 O GLU A 839 14.184 2.545 -0.806 1.00 0.31 O ATOM 974 CB GLU A 839 13.724 3.565 2.341 1.00 0.32 C ATOM 975 CG GLU A 839 13.486 4.777 3.223 1.00 0.47 C ATOM 976 CD GLU A 839 14.249 4.700 4.531 1.00 1.34 C ATOM 977 OE1 GLU A 839 14.092 3.698 5.259 1.00 2.22 O ATOM 978 OE2 GLU A 839 15.016 5.640 4.836 1.00 1.85 O ATOM 0 H GLU A 839 11.249 3.684 2.076 1.00 0.21 H new ATOM 0 HA GLU A 839 13.354 4.553 0.478 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.375 2.675 2.864 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.797 3.445 2.189 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.782 5.678 2.685 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.420 4.867 3.432 1.00 0.47 H new ATOM 985 N MET A 840 12.862 1.285 0.490 1.00 0.27 N ATOM 986 CA MET A 840 13.105 0.045 -0.234 1.00 0.31 C ATOM 987 C MET A 840 12.900 0.234 -1.740 1.00 0.34 C ATOM 988 O MET A 840 13.825 0.045 -2.533 1.00 0.40 O ATOM 989 CB MET A 840 12.159 -1.030 0.305 1.00 0.32 C ATOM 990 CG MET A 840 12.101 -2.296 -0.529 1.00 0.36 C ATOM 991 SD MET A 840 10.787 -3.406 0.013 1.00 0.76 S ATOM 992 CE MET A 840 9.342 -2.376 -0.254 1.00 0.35 C ATOM 0 H MET A 840 12.215 1.189 1.273 1.00 0.27 H new ATOM 0 HA MET A 840 14.140 -0.262 -0.083 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.466 -1.291 1.318 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.155 -0.610 0.375 1.00 0.32 H new ATOM 0 HG2 MET A 840 11.945 -2.033 -1.575 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.059 -2.813 -0.470 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.440 -2.972 -0.118 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.344 -1.553 0.461 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.363 -1.976 -1.268 1.00 0.35 H new ATOM 1002 N LEU A 841 11.707 0.677 -2.112 1.00 0.30 N ATOM 1003 CA LEU A 841 11.353 0.897 -3.507 1.00 0.35 C ATOM 1004 C LEU A 841 12.267 1.928 -4.170 1.00 0.39 C ATOM 1005 O LEU A 841 12.852 1.674 -5.223 1.00 0.50 O ATOM 1006 CB LEU A 841 9.907 1.393 -3.584 1.00 0.33 C ATOM 1007 CG LEU A 841 8.873 0.523 -2.868 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.615 1.324 -2.578 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.532 -0.700 -3.699 1.00 0.62 C ATOM 0 H LEU A 841 10.957 0.894 -1.455 1.00 0.30 H new ATOM 0 HA LEU A 841 11.469 -0.049 -4.036 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.863 2.398 -3.164 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.624 1.473 -4.634 1.00 0.33 H new ATOM 0 HG LEU A 841 9.304 0.191 -1.924 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.889 0.690 -2.068 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.863 2.174 -1.943 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.188 1.683 -3.515 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.795 -1.305 -3.171 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.123 -0.385 -4.659 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.433 -1.290 -3.865 1.00 0.62 H new ATOM 1021 N ALA A 842 12.306 3.118 -3.594 1.00 0.36 N ATOM 1022 CA ALA A 842 13.010 4.243 -4.196 1.00 0.44 C ATOM 1023 C ALA A 842 14.523 4.044 -4.225 1.00 0.52 C ATOM 1024 O ALA A 842 15.164 4.326 -5.238 1.00 0.61 O ATOM 1025 CB ALA A 842 12.648 5.530 -3.475 1.00 0.47 C ATOM 0 H ALA A 842 11.856 3.333 -2.704 1.00 0.36 H new ATOM 0 HA ALA A 842 12.687 4.309 -5.235 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.179 6.365 -3.932 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.574 5.699 -3.549 1.00 0.47 H new ATOM 0 HB3 ALA A 842 12.931 5.451 -2.425 1.00 0.47 H new ATOM 1031 N GLU A 843 15.096 3.576 -3.123 1.00 0.53 N ATOM 1032 CA GLU A 843 16.538 3.372 -3.053 1.00 0.66 C ATOM 1033 C GLU A 843 16.967 2.238 -3.974 1.00 0.71 C ATOM 1034 O GLU A 843 17.943 2.368 -4.717 1.00 0.81 O ATOM 1035 CB GLU A 843 16.990 3.060 -1.623 1.00 0.71 C ATOM 1036 CG GLU A 843 16.724 4.173 -0.622 1.00 1.45 C ATOM 1037 CD GLU A 843 17.584 5.403 -0.841 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.364 5.412 -1.816 1.00 2.43 O ATOM 1039 OE2 GLU A 843 17.484 6.368 -0.057 1.00 2.92 O ATOM 0 H GLU A 843 14.590 3.332 -2.272 1.00 0.53 H new ATOM 0 HA GLU A 843 17.011 4.300 -3.375 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.485 2.155 -1.285 1.00 0.71 H new ATOM 0 HB3 GLU A 843 18.058 2.844 -1.632 1.00 0.71 H new ATOM 0 HG2 GLU A 843 15.674 4.459 -0.679 1.00 1.45 H new ATOM 0 HG3 GLU A 843 16.896 3.794 0.385 1.00 1.45 H new ATOM 1046 N ASN A 844 16.275 1.103 -3.886 1.00 0.67 N ATOM 1047 CA ASN A 844 16.655 -0.058 -4.682 1.00 0.80 C ATOM 1048 C ASN A 844 16.383 0.181 -6.162 1.00 0.79 C ATOM 1049 O ASN A 844 17.331 0.236 -6.946 1.00 1.11 O ATOM 1050 CB ASN A 844 15.917 -1.313 -4.208 1.00 0.85 C ATOM 1051 CG ASN A 844 16.335 -1.778 -2.821 1.00 0.97 C ATOM 1052 OD1 ASN A 844 15.867 -2.810 -2.338 1.00 1.53 O ATOM 1053 ND2 ASN A 844 17.212 -1.033 -2.164 1.00 1.15 N ATOM 0 H ASN A 844 15.464 0.965 -3.283 1.00 0.67 H new ATOM 0 HA ASN A 844 17.725 -0.213 -4.547 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.845 -1.116 -4.208 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.093 -2.119 -4.921 1.00 0.85 H new ATOM 0 HD21 ASN A 844 17.518 -1.309 -1.231 1.00 1.15 H new ATOM 0 HD22 ASN A 844 17.581 -0.184 -2.591 1.00 1.15 H new ATOM 1060 N ASN A 845 15.114 0.469 -6.497 1.00 0.62 N ATOM 1061 CA ASN A 845 14.683 0.825 -7.865 1.00 0.71 C ATOM 1062 C ASN A 845 13.219 0.448 -8.065 1.00 0.61 C ATOM 1063 O ASN A 845 12.551 0.978 -8.955 1.00 0.71 O ATOM 1064 CB ASN A 845 15.525 0.136 -8.964 1.00 0.92 C ATOM 1065 CG ASN A 845 15.002 -1.233 -9.367 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.093 -1.353 -10.192 1.00 1.90 O ATOM 1067 ND2 ASN A 845 15.567 -2.277 -8.790 1.00 1.48 N ATOM 0 H ASN A 845 14.350 0.462 -5.822 1.00 0.62 H new ATOM 0 HA ASN A 845 14.826 1.901 -7.962 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.552 0.778 -9.844 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.552 0.034 -8.612 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.254 -3.220 -9.022 1.00 1.48 H new ATOM 0 HD22 ASN A 845 16.317 -2.141 -8.112 1.00 1.48 H new ATOM 1074 N GLU A 846 12.787 -0.593 -7.358 1.00 0.55 N ATOM 1075 CA GLU A 846 11.483 -1.191 -7.601 1.00 0.63 C ATOM 1076 C GLU A 846 10.337 -0.251 -7.245 1.00 0.73 C ATOM 1077 O GLU A 846 10.534 0.801 -6.636 1.00 1.49 O ATOM 1078 CB GLU A 846 11.340 -2.515 -6.848 1.00 0.77 C ATOM 1079 CG GLU A 846 12.208 -3.636 -7.398 1.00 1.40 C ATOM 1080 CD GLU A 846 13.627 -3.615 -6.871 1.00 2.19 C ATOM 1081 OE1 GLU A 846 13.950 -2.750 -6.038 1.00 2.97 O ATOM 1082 OE2 GLU A 846 14.430 -4.477 -7.291 1.00 2.54 O ATOM 0 H GLU A 846 13.323 -1.038 -6.613 1.00 0.55 H new ATOM 0 HA GLU A 846 11.422 -1.386 -8.672 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.593 -2.354 -5.800 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.296 -2.828 -6.880 1.00 0.77 H new ATOM 0 HG2 GLU A 846 11.751 -4.594 -7.150 1.00 1.40 H new ATOM 0 HG3 GLU A 846 12.232 -3.566 -8.486 1.00 1.40 H new ATOM 1089 N LYS A 847 9.161 -0.582 -7.744 1.00 0.42 N ATOM 1090 CA LYS A 847 7.989 0.266 -7.585 1.00 0.37 C ATOM 1091 C LYS A 847 6.720 -0.586 -7.470 1.00 0.35 C ATOM 1092 O LYS A 847 5.659 -0.082 -7.092 1.00 0.44 O ATOM 1093 CB LYS A 847 7.895 1.240 -8.772 1.00 0.44 C ATOM 1094 CG LYS A 847 6.780 2.271 -8.661 1.00 0.63 C ATOM 1095 CD LYS A 847 6.830 3.269 -9.812 1.00 1.29 C ATOM 1096 CE LYS A 847 5.510 4.006 -9.982 1.00 1.80 C ATOM 1097 NZ LYS A 847 5.611 5.106 -10.978 1.00 2.40 N ATOM 0 H LYS A 847 8.989 -1.440 -8.268 1.00 0.42 H new ATOM 0 HA LYS A 847 8.085 0.843 -6.665 1.00 0.37 H new ATOM 0 HB2 LYS A 847 8.846 1.763 -8.872 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.750 0.665 -9.686 1.00 0.44 H new ATOM 0 HG2 LYS A 847 5.814 1.766 -8.657 1.00 0.63 H new ATOM 0 HG3 LYS A 847 6.866 2.802 -7.713 1.00 0.63 H new ATOM 0 HD2 LYS A 847 7.628 3.990 -9.633 1.00 1.29 H new ATOM 0 HD3 LYS A 847 7.075 2.745 -10.736 1.00 1.29 H new ATOM 0 HE2 LYS A 847 4.739 3.302 -10.296 1.00 1.80 H new ATOM 0 HE3 LYS A 847 5.196 4.414 -9.021 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 4.695 5.593 -11.051 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 6.340 5.783 -10.675 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 5.869 4.712 -11.905 1.00 2.40 H new ATOM 1111 N PHE A 848 6.839 -1.883 -7.773 1.00 0.32 N ATOM 1112 CA PHE A 848 5.707 -2.796 -7.669 1.00 0.30 C ATOM 1113 C PHE A 848 5.309 -2.969 -6.212 1.00 0.24 C ATOM 1114 O PHE A 848 6.107 -3.432 -5.389 1.00 0.21 O ATOM 1115 CB PHE A 848 6.058 -4.170 -8.247 1.00 0.31 C ATOM 1116 CG PHE A 848 4.868 -4.931 -8.777 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.366 -4.644 -10.036 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.267 -5.947 -8.037 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.289 -5.341 -10.546 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.191 -6.647 -8.550 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.702 -6.343 -9.804 1.00 0.52 C ATOM 0 H PHE A 848 7.705 -2.318 -8.090 1.00 0.32 H new ATOM 0 HA PHE A 848 4.880 -2.368 -8.236 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.782 -4.041 -9.051 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.543 -4.766 -7.474 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.824 -3.864 -10.627 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.645 -6.190 -7.055 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.906 -5.101 -11.527 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.732 -7.433 -7.968 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.860 -6.890 -10.203 1.00 0.52 H new ATOM 1131 N LEU A 849 4.054 -2.686 -5.928 1.00 0.22 N ATOM 1132 CA LEU A 849 3.517 -2.828 -4.594 1.00 0.18 C ATOM 1133 C LEU A 849 2.227 -3.632 -4.647 1.00 0.17 C ATOM 1134 O LEU A 849 1.420 -3.487 -5.564 1.00 0.19 O ATOM 1135 CB LEU A 849 3.263 -1.446 -3.973 1.00 0.20 C ATOM 1136 CG LEU A 849 3.030 -1.427 -2.464 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.260 -1.930 -1.728 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.685 -0.021 -2.007 1.00 0.55 C ATOM 0 H LEU A 849 3.380 -2.351 -6.616 1.00 0.22 H new ATOM 0 HA LEU A 849 4.239 -3.356 -3.971 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.116 -0.806 -4.198 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.395 -1.004 -4.461 1.00 0.20 H new ATOM 0 HG LEU A 849 2.195 -2.089 -2.234 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.075 -1.909 -0.654 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.478 -2.952 -2.039 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.111 -1.290 -1.962 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.521 -0.019 -0.929 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.507 0.653 -2.250 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.779 0.314 -2.513 1.00 0.55 H new ATOM 1150 N ASN A 850 2.058 -4.498 -3.679 1.00 0.16 N ATOM 1151 CA ASN A 850 0.877 -5.340 -3.590 1.00 0.17 C ATOM 1152 C ASN A 850 0.295 -5.199 -2.204 1.00 0.17 C ATOM 1153 O ASN A 850 1.018 -4.885 -1.267 1.00 0.16 O ATOM 1154 CB ASN A 850 1.212 -6.809 -3.861 1.00 0.19 C ATOM 1155 CG ASN A 850 1.668 -7.069 -5.280 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.896 -6.958 -6.227 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.935 -7.420 -5.433 1.00 0.45 N ATOM 0 H ASN A 850 2.732 -4.644 -2.927 1.00 0.16 H new ATOM 0 HA ASN A 850 0.159 -5.021 -4.346 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.993 -7.129 -3.172 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.333 -7.419 -3.652 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.303 -7.610 -6.365 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.544 -7.501 -4.619 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.014 -5.274 -2.088 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.660 -5.028 -0.811 1.00 0.21 C ATOM 1166 C ILE A 851 -2.554 -6.195 -0.468 1.00 0.24 C ATOM 1167 O ILE A 851 -3.415 -6.579 -1.254 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.548 -3.754 -0.835 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.145 -2.783 -1.949 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.512 -3.042 0.505 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.794 -2.118 -1.757 1.00 0.28 C ATOM 0 H ILE A 851 -1.649 -5.501 -2.853 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.867 -4.893 -0.075 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.565 -4.089 -1.038 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.137 -3.322 -2.896 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.907 -2.008 -2.029 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.142 -2.153 0.462 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.881 -3.711 1.282 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.487 -2.750 0.734 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.595 -1.449 -2.594 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.799 -1.546 -0.829 1.00 0.28 H new ATOM 0 HD13 ILE A 851 -0.017 -2.881 -1.709 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.331 -6.783 0.689 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.118 -7.901 1.104 1.00 0.37 C ATOM 1185 C ARG A 852 -4.201 -7.471 2.065 1.00 0.39 C ATOM 1186 O ARG A 852 -3.920 -7.109 3.210 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.253 -8.955 1.764 1.00 0.46 C ATOM 1188 CG ARG A 852 -2.971 -10.277 1.962 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.795 -10.800 3.376 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.150 -12.218 3.495 1.00 1.27 N ATOM 1191 CZ ARG A 852 -2.459 -13.220 2.938 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.327 -12.973 2.284 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -2.892 -14.470 3.054 1.00 2.38 N ATOM 0 H ARG A 852 -1.609 -6.498 1.351 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.580 -8.325 0.212 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.363 -9.119 1.156 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.914 -8.584 2.731 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.033 -10.151 1.749 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -2.588 -11.010 1.252 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.759 -10.660 3.686 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -3.413 -10.215 4.057 1.00 0.70 H new ATOM 0 HE ARG A 852 -3.979 -12.457 4.039 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.982 -12.016 2.205 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.804 -13.740 1.861 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -3.751 -14.667 3.568 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -2.365 -15.234 2.630 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.423 -7.710 1.661 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.542 -7.597 2.559 1.00 0.54 C ATOM 1209 C LEU A 853 -6.787 -8.977 3.142 1.00 0.63 C ATOM 1210 O LEU A 853 -6.581 -9.978 2.450 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.789 -7.107 1.839 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.766 -5.684 1.242 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -7.448 -4.640 2.295 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.797 -5.582 0.071 1.00 1.56 C ATOM 0 H LEU A 853 -5.668 -7.986 0.710 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.319 -6.869 3.339 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.004 -7.805 1.030 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.623 -7.163 2.539 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.769 -5.483 0.865 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -7.441 -3.651 1.836 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -8.205 -4.671 3.079 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -6.469 -4.846 2.728 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.808 -4.566 -0.323 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -5.791 -5.829 0.409 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -7.098 -6.278 -0.712 1.00 1.56 H new ATOM 1226 N TYR A 854 -7.113 -9.060 4.415 1.00 0.99 N ATOM 1227 CA TYR A 854 -7.282 -10.356 5.051 1.00 1.08 C ATOM 1228 C TYR A 854 -8.286 -10.268 6.188 1.00 1.25 C ATOM 1229 O TYR A 854 -8.582 -11.304 6.814 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.927 -10.895 5.541 1.00 0.91 C ATOM 1231 CG TYR A 854 -5.249 -10.057 6.607 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -5.669 -10.092 7.933 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -4.162 -9.258 6.290 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -5.029 -9.347 8.908 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -3.512 -8.519 7.257 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.949 -8.563 8.566 1.00 0.79 C ATOM 1237 OH TYR A 854 -3.290 -7.830 9.534 1.00 0.92 O ATOM 1238 OXT TYR A 854 -8.806 -9.161 6.425 1.00 1.77 O ATOM 0 H TYR A 854 -7.265 -8.258 5.026 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.675 -11.057 4.315 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -6.074 -11.902 5.931 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -5.256 -10.979 4.686 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -6.510 -10.712 8.206 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -3.817 -9.213 5.267 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -5.374 -9.380 9.931 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -2.663 -7.907 6.990 1.00 0.86 H new ATOM 0 HH TYR A 854 -3.355 -8.292 10.396 1.00 0.92 H new TER 1248 TYR A 854