USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 819 GLN :FLIP amide:sc= 1.12 F(o=-2.3,f=-0.68) USER MOD Set 1.2: A 850 ASN : amide:sc= -1.8! C(o=-0.68!,f=-3!) USER MOD Set 2.1: A 814 THR OG1 : rot -62:sc= 2.08 USER MOD Set 2.2: A 815 LYS NZ :NH3+ -105:sc= 1.06 (180deg=0) USER MOD Set 3.1: A 807 ASN : amide:sc= -0.347 K(o=-0.82,f=-3.4) USER MOD Set 3.2: A 808 ASN :FLIP amide:sc= -0.469 F(o=-2.8,f=-0.82) USER MOD Set 4.1: A 805 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 806 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 778 SER OG : rot 35:sc= 0.205 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= 0.227 K(o=0.23,f=-3!) USER MOD Single : A 796 MET CE :methyl -161:sc= -0.116 (180deg=-0.648) USER MOD Single : A 799 ASN : amide:sc= -2.01! C(o=-2!,f=-4.5!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 161:sc= -0.0789 (180deg=-0.393) USER MOD Single : A 803 SER OG : rot -50:sc= 0.182 USER MOD Single : A 804 ASN : amide:sc= 0.111 X(o=0.11,f=-0.025) USER MOD Single : A 809 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.64) USER MOD Single : A 811 SER OG : rot 140:sc= -0.0157 USER MOD Single : A 817 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.289) USER MOD Single : A 818 TYR OH : rot 171:sc= -0.082 USER MOD Single : A 830 SER OG : rot 180:sc= -0.0917 USER MOD Single : A 835 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.4) USER MOD Single : A 838 LYS NZ :NH3+ -122:sc= -0.423 (180deg=-2.72!) USER MOD Single : A 840 MET CE :methyl -146:sc= -3.84! (180deg=-6.02!) USER MOD Single : A 844 ASN : amide:sc= 0.755 K(o=0.76,f=0) USER MOD Single : A 845 ASN : amide:sc= 0.544 K(o=0.54,f=-0.38) USER MOD Single : A 847 LYS NZ :NH3+ -141:sc= -0.413 (180deg=-1.72) USER MOD Single : A 854 TYR OH : rot 26:sc= 0.683 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -6.295 -12.255 1.558 1.00 2.40 N ATOM 2 CA SER A 778 -6.771 -12.978 0.361 1.00 2.10 C ATOM 3 C SER A 778 -7.018 -12.002 -0.781 1.00 1.16 C ATOM 4 O SER A 778 -6.567 -12.224 -1.903 1.00 1.09 O ATOM 5 CB SER A 778 -8.056 -13.723 0.719 1.00 2.58 C ATOM 6 OG SER A 778 -7.879 -14.525 1.880 1.00 3.17 O ATOM 0 HA SER A 778 -6.015 -13.692 0.034 1.00 2.10 H new ATOM 0 HB2 SER A 778 -8.860 -13.006 0.888 1.00 2.58 H new ATOM 0 HB3 SER A 778 -8.360 -14.352 -0.118 1.00 2.58 H new ATOM 0 HG SER A 778 -7.268 -14.074 2.499 1.00 3.17 H new ATOM 14 N GLU A 779 -7.661 -10.881 -0.472 1.00 0.78 N ATOM 15 CA GLU A 779 -7.855 -9.832 -1.456 1.00 0.85 C ATOM 16 C GLU A 779 -6.526 -9.166 -1.774 1.00 0.75 C ATOM 17 O GLU A 779 -5.852 -8.644 -0.883 1.00 1.17 O ATOM 18 CB GLU A 779 -8.864 -8.800 -0.953 1.00 1.60 C ATOM 19 CG GLU A 779 -10.289 -9.319 -0.933 1.00 1.95 C ATOM 20 CD GLU A 779 -10.816 -9.618 -2.323 1.00 2.62 C ATOM 21 OE1 GLU A 779 -10.154 -9.241 -3.315 1.00 3.25 O ATOM 22 OE2 GLU A 779 -11.905 -10.213 -2.433 1.00 2.92 O ATOM 0 H GLU A 779 -8.053 -10.680 0.448 1.00 0.78 H new ATOM 0 HA GLU A 779 -8.252 -10.278 -2.368 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -8.584 -8.488 0.053 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -8.815 -7.915 -1.587 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -10.334 -10.224 -0.328 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -10.934 -8.583 -0.454 1.00 1.95 H new ATOM 29 N ILE A 780 -6.126 -9.253 -3.028 1.00 0.62 N ATOM 30 CA ILE A 780 -4.862 -8.698 -3.466 1.00 0.43 C ATOM 31 C ILE A 780 -5.097 -7.429 -4.274 1.00 0.37 C ATOM 32 O ILE A 780 -6.016 -7.354 -5.091 1.00 0.49 O ATOM 33 CB ILE A 780 -4.047 -9.722 -4.300 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.743 -9.103 -4.824 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.878 -10.269 -5.455 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.730 -8.795 -3.740 1.00 0.51 C ATOM 0 H ILE A 780 -6.664 -9.707 -3.766 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.279 -8.455 -2.577 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.787 -10.550 -3.640 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.293 -9.785 -5.545 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.978 -8.183 -5.359 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -4.284 -10.984 -6.024 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.765 -10.765 -5.062 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -5.180 -9.449 -6.106 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.837 -8.361 -4.189 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.160 -8.088 -3.031 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.463 -9.715 -3.219 1.00 0.51 H new ATOM 48 N PHE A 781 -4.294 -6.427 -4.001 1.00 0.28 N ATOM 49 CA PHE A 781 -4.384 -5.155 -4.684 1.00 0.26 C ATOM 50 C PHE A 781 -3.000 -4.777 -5.195 1.00 0.22 C ATOM 51 O PHE A 781 -1.998 -5.186 -4.613 1.00 0.21 O ATOM 52 CB PHE A 781 -4.943 -4.079 -3.747 1.00 0.29 C ATOM 53 CG PHE A 781 -5.267 -2.784 -4.439 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.919 -2.784 -5.660 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.925 -1.569 -3.866 1.00 0.37 C ATOM 56 CE1 PHE A 781 -6.225 -1.599 -6.296 1.00 0.50 C ATOM 57 CE2 PHE A 781 -5.230 -0.381 -4.497 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.849 -0.391 -5.721 1.00 0.52 C ATOM 0 H PHE A 781 -3.557 -6.470 -3.297 1.00 0.28 H new ATOM 0 HA PHE A 781 -5.068 -5.235 -5.529 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.845 -4.460 -3.268 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.218 -3.887 -2.956 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -6.191 -3.723 -6.120 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.414 -1.552 -2.915 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.755 -1.610 -7.237 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.981 0.559 -4.027 1.00 0.44 H new ATOM 0 HZ PHE A 781 -6.044 0.538 -6.237 1.00 0.52 H new ATOM 68 N THR A 782 -2.940 -4.110 -6.334 1.00 0.23 N ATOM 69 CA THR A 782 -1.665 -3.805 -6.960 1.00 0.23 C ATOM 70 C THR A 782 -1.559 -2.313 -7.224 1.00 0.23 C ATOM 71 O THR A 782 -2.559 -1.647 -7.506 1.00 0.25 O ATOM 72 CB THR A 782 -1.488 -4.580 -8.282 1.00 0.29 C ATOM 73 OG1 THR A 782 -2.659 -4.438 -9.103 1.00 1.39 O ATOM 74 CG2 THR A 782 -1.230 -6.052 -8.016 1.00 1.34 C ATOM 0 H THR A 782 -3.756 -3.770 -6.843 1.00 0.23 H new ATOM 0 HA THR A 782 -0.874 -4.113 -6.276 1.00 0.23 H new ATOM 0 HB THR A 782 -0.627 -4.162 -8.804 1.00 0.29 H new ATOM 0 HG1 THR A 782 -2.534 -4.933 -9.940 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.109 -6.577 -8.963 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.323 -6.161 -7.422 1.00 1.34 H new ATOM 0 HG23 THR A 782 -2.073 -6.477 -7.471 1.00 1.34 H new ATOM 82 N LEU A 783 -0.412 -1.770 -6.865 1.00 0.22 N ATOM 83 CA LEU A 783 -0.233 -0.336 -6.790 1.00 0.21 C ATOM 84 C LEU A 783 1.224 0.020 -7.091 1.00 0.21 C ATOM 85 O LEU A 783 2.132 -0.721 -6.739 1.00 0.23 O ATOM 86 CB LEU A 783 -0.653 0.119 -5.376 1.00 0.26 C ATOM 87 CG LEU A 783 -0.691 1.613 -5.093 1.00 0.35 C ATOM 88 CD1 LEU A 783 0.681 2.065 -4.687 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.209 2.390 -6.294 1.00 0.61 C ATOM 0 H LEU A 783 0.418 -2.309 -6.618 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.849 0.177 -7.529 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.645 -0.285 -5.175 1.00 0.26 H new ATOM 0 HB3 LEU A 783 0.029 -0.340 -4.660 1.00 0.26 H new ATOM 0 HG LEU A 783 -1.385 1.810 -4.276 1.00 0.35 H new ATOM 0 HD11 LEU A 783 0.666 3.135 -4.482 1.00 0.83 H new ATOM 0 HD12 LEU A 783 0.991 1.528 -3.790 1.00 0.83 H new ATOM 0 HD13 LEU A 783 1.385 1.861 -5.494 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.224 3.454 -6.060 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -0.556 2.216 -7.149 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -2.219 2.057 -6.535 1.00 0.61 H new ATOM 101 N LEU A 784 1.446 1.154 -7.727 1.00 0.20 N ATOM 102 CA LEU A 784 2.795 1.623 -7.994 1.00 0.22 C ATOM 103 C LEU A 784 2.915 3.060 -7.497 1.00 0.21 C ATOM 104 O LEU A 784 2.066 3.896 -7.807 1.00 0.23 O ATOM 105 CB LEU A 784 3.101 1.516 -9.498 1.00 0.29 C ATOM 106 CG LEU A 784 4.575 1.651 -9.901 1.00 0.91 C ATOM 107 CD1 LEU A 784 4.813 0.998 -11.254 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.989 3.114 -9.959 1.00 1.45 C ATOM 0 H LEU A 784 0.709 1.770 -8.070 1.00 0.20 H new ATOM 0 HA LEU A 784 3.525 1.006 -7.469 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.735 0.553 -9.854 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.532 2.286 -10.019 1.00 0.29 H new ATOM 0 HG LEU A 784 5.179 1.147 -9.147 1.00 0.91 H new ATOM 0 HD11 LEU A 784 5.863 1.101 -11.528 1.00 1.53 H new ATOM 0 HD12 LEU A 784 4.555 -0.059 -11.198 1.00 1.53 H new ATOM 0 HD13 LEU A 784 4.192 1.484 -12.007 1.00 1.53 H new ATOM 0 HD21 LEU A 784 6.038 3.184 -10.247 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.376 3.637 -10.693 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.850 3.570 -8.979 1.00 1.45 H new ATOM 120 N VAL A 785 3.852 3.292 -6.585 1.00 0.22 N ATOM 121 CA VAL A 785 3.962 4.590 -5.928 1.00 0.25 C ATOM 122 C VAL A 785 4.485 5.654 -6.899 1.00 0.34 C ATOM 123 O VAL A 785 5.507 5.468 -7.562 1.00 0.79 O ATOM 124 CB VAL A 785 4.842 4.512 -4.652 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.214 3.566 -3.643 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.261 4.075 -4.976 1.00 1.10 C ATOM 0 H VAL A 785 4.542 2.604 -6.285 1.00 0.22 H new ATOM 0 HA VAL A 785 2.961 4.885 -5.613 1.00 0.25 H new ATOM 0 HB VAL A 785 4.896 5.512 -4.221 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.839 3.518 -2.751 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.222 3.929 -3.372 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.129 2.571 -4.081 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.847 4.032 -4.058 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.241 3.089 -5.440 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.714 4.790 -5.663 1.00 1.10 H new ATOM 136 N GLU A 786 3.666 6.675 -7.118 1.00 0.69 N ATOM 137 CA GLU A 786 3.938 7.679 -8.140 1.00 0.81 C ATOM 138 C GLU A 786 4.997 8.681 -7.689 1.00 0.87 C ATOM 139 O GLU A 786 5.884 9.047 -8.460 1.00 1.56 O ATOM 140 CB GLU A 786 2.651 8.429 -8.494 1.00 0.99 C ATOM 141 CG GLU A 786 1.579 7.552 -9.122 1.00 1.51 C ATOM 142 CD GLU A 786 1.974 7.036 -10.490 1.00 2.26 C ATOM 143 OE1 GLU A 786 2.380 7.845 -11.345 1.00 2.59 O ATOM 144 OE2 GLU A 786 1.909 5.808 -10.705 1.00 3.06 O ATOM 0 H GLU A 786 2.802 6.830 -6.598 1.00 0.69 H new ATOM 0 HA GLU A 786 4.319 7.155 -9.016 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.249 8.887 -7.590 1.00 0.99 H new ATOM 0 HB3 GLU A 786 2.892 9.240 -9.182 1.00 0.99 H new ATOM 0 HG2 GLU A 786 1.375 6.707 -8.464 1.00 1.51 H new ATOM 0 HG3 GLU A 786 0.653 8.121 -9.206 1.00 1.51 H new ATOM 151 N LYS A 787 4.831 9.212 -6.489 1.00 0.91 N ATOM 152 CA LYS A 787 5.693 10.288 -6.016 1.00 1.01 C ATOM 153 C LYS A 787 5.938 10.180 -4.517 1.00 0.96 C ATOM 154 O LYS A 787 5.707 11.133 -3.769 1.00 1.58 O ATOM 155 CB LYS A 787 5.074 11.646 -6.371 1.00 1.17 C ATOM 156 CG LYS A 787 3.627 11.804 -5.919 1.00 1.21 C ATOM 157 CD LYS A 787 3.021 13.094 -6.443 1.00 1.35 C ATOM 158 CE LYS A 787 1.596 13.287 -5.951 1.00 1.27 C ATOM 159 NZ LYS A 787 0.966 14.499 -6.537 1.00 1.80 N ATOM 0 H LYS A 787 4.113 8.920 -5.827 1.00 0.91 H new ATOM 0 HA LYS A 787 6.659 10.200 -6.512 1.00 1.01 H new ATOM 0 HB2 LYS A 787 5.673 12.436 -5.919 1.00 1.17 H new ATOM 0 HB3 LYS A 787 5.124 11.786 -7.451 1.00 1.17 H new ATOM 0 HG2 LYS A 787 3.040 10.955 -6.270 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.581 11.795 -4.830 1.00 1.21 H new ATOM 0 HD2 LYS A 787 3.633 13.938 -6.126 1.00 1.35 H new ATOM 0 HD3 LYS A 787 3.031 13.084 -7.533 1.00 1.35 H new ATOM 0 HE2 LYS A 787 1.002 12.410 -6.207 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.595 13.367 -4.864 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -0.005 14.595 -6.176 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 1.518 15.340 -6.272 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.943 14.412 -7.573 1.00 1.80 H new ATOM 173 N VAL A 788 6.441 9.021 -4.100 1.00 0.66 N ATOM 174 CA VAL A 788 6.779 8.755 -2.701 1.00 0.61 C ATOM 175 C VAL A 788 5.524 8.616 -1.835 1.00 0.70 C ATOM 176 O VAL A 788 5.292 7.556 -1.251 1.00 1.70 O ATOM 177 CB VAL A 788 7.708 9.850 -2.122 1.00 0.70 C ATOM 178 CG1 VAL A 788 7.864 9.701 -0.618 1.00 0.87 C ATOM 179 CG2 VAL A 788 9.068 9.805 -2.805 1.00 1.21 C ATOM 0 H VAL A 788 6.627 8.236 -4.724 1.00 0.66 H new ATOM 0 HA VAL A 788 7.315 7.806 -2.682 1.00 0.61 H new ATOM 0 HB VAL A 788 7.248 10.819 -2.316 1.00 0.70 H new ATOM 0 HG11 VAL A 788 8.522 10.484 -0.241 1.00 0.87 H new ATOM 0 HG12 VAL A 788 6.888 9.786 -0.141 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.295 8.726 -0.392 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.711 10.580 -2.388 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.525 8.829 -2.642 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.944 9.974 -3.875 1.00 1.21 H new ATOM 189 N TRP A 789 4.694 9.663 -1.823 1.00 0.50 N ATOM 190 CA TRP A 789 3.428 9.677 -1.090 1.00 0.33 C ATOM 191 C TRP A 789 3.640 9.714 0.419 1.00 0.29 C ATOM 192 O TRP A 789 4.198 8.787 1.009 1.00 0.34 O ATOM 193 CB TRP A 789 2.575 8.465 -1.453 1.00 0.32 C ATOM 194 CG TRP A 789 2.000 8.520 -2.830 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.816 9.625 -3.607 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.536 7.411 -3.594 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.234 9.267 -4.796 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.056 7.912 -4.811 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.470 6.041 -3.357 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.515 7.086 -5.788 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.940 5.225 -4.327 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.463 5.747 -5.529 1.00 0.44 C ATOM 0 H TRP A 789 4.884 10.530 -2.326 1.00 0.50 H new ATOM 0 HA TRP A 789 2.907 10.588 -1.384 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.182 7.565 -1.359 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.761 8.377 -0.733 1.00 0.32 H new ATOM 0 HD1 TRP A 789 2.088 10.632 -3.328 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.976 9.908 -5.547 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.829 5.627 -2.427 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.148 7.489 -6.720 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.892 4.160 -4.155 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.045 5.080 -6.268 1.00 0.44 H new ATOM 213 N ASN A 790 3.054 10.717 1.053 1.00 0.29 N ATOM 214 CA ASN A 790 3.084 10.841 2.509 1.00 0.32 C ATOM 215 C ASN A 790 2.062 9.912 3.167 1.00 0.37 C ATOM 216 O ASN A 790 1.417 10.282 4.149 1.00 0.82 O ATOM 217 CB ASN A 790 2.807 12.289 2.920 1.00 0.39 C ATOM 218 CG ASN A 790 1.452 12.782 2.451 1.00 1.20 C ATOM 219 OD1 ASN A 790 1.186 12.853 1.252 1.00 2.06 O ATOM 220 ND2 ASN A 790 0.584 13.106 3.394 1.00 1.79 N ATOM 0 H ASN A 790 2.547 11.465 0.581 1.00 0.29 H new ATOM 0 HA ASN A 790 4.078 10.551 2.849 1.00 0.32 H new ATOM 0 HB2 ASN A 790 2.863 12.371 4.005 1.00 0.39 H new ATOM 0 HB3 ASN A 790 3.585 12.934 2.511 1.00 0.39 H new ATOM 0 HD21 ASN A 790 -0.349 13.430 3.139 1.00 1.79 H new ATOM 0 HD22 ASN A 790 0.847 13.032 4.377 1.00 1.79 H new ATOM 227 N PHE A 791 1.928 8.708 2.611 1.00 0.30 N ATOM 228 CA PHE A 791 0.994 7.686 3.098 1.00 0.25 C ATOM 229 C PHE A 791 -0.454 8.055 2.798 1.00 0.23 C ATOM 230 O PHE A 791 -1.207 7.236 2.287 1.00 0.21 O ATOM 231 CB PHE A 791 1.177 7.432 4.598 1.00 0.28 C ATOM 232 CG PHE A 791 0.260 6.379 5.154 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.068 5.181 4.481 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.412 6.586 6.348 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.776 4.214 4.989 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.257 5.620 6.861 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.438 4.433 6.180 1.00 0.42 C ATOM 0 H PHE A 791 2.470 8.409 1.800 1.00 0.30 H new ATOM 0 HA PHE A 791 1.225 6.766 2.562 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.209 7.135 4.783 1.00 0.28 H new ATOM 0 HB3 PHE A 791 1.012 8.365 5.137 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.585 5.003 3.549 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.274 7.513 6.884 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.918 3.286 4.455 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.775 5.794 7.793 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.097 3.676 6.579 1.00 0.42 H new ATOM 247 N ASP A 792 -0.839 9.278 3.119 1.00 0.26 N ATOM 248 CA ASP A 792 -2.202 9.737 2.893 1.00 0.29 C ATOM 249 C ASP A 792 -2.529 9.712 1.407 1.00 0.25 C ATOM 250 O ASP A 792 -3.580 9.232 1.003 1.00 0.26 O ATOM 251 CB ASP A 792 -2.402 11.150 3.447 1.00 0.38 C ATOM 252 CG ASP A 792 -2.274 11.227 4.958 1.00 1.13 C ATOM 253 OD1 ASP A 792 -1.957 10.202 5.595 1.00 1.74 O ATOM 254 OD2 ASP A 792 -2.484 12.325 5.516 1.00 1.86 O ATOM 0 H ASP A 792 -0.225 9.976 3.539 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.877 9.061 3.418 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.670 11.818 2.993 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -3.388 11.511 3.154 1.00 0.38 H new ATOM 259 N ASP A 793 -1.570 10.118 0.592 1.00 0.24 N ATOM 260 CA ASP A 793 -1.725 10.068 -0.860 1.00 0.23 C ATOM 261 C ASP A 793 -1.842 8.626 -1.331 1.00 0.19 C ATOM 262 O ASP A 793 -2.644 8.306 -2.208 1.00 0.18 O ATOM 263 CB ASP A 793 -0.541 10.745 -1.549 1.00 0.28 C ATOM 264 CG ASP A 793 -0.742 12.235 -1.732 1.00 0.75 C ATOM 265 OD1 ASP A 793 -1.184 12.905 -0.777 1.00 1.36 O ATOM 266 OD2 ASP A 793 -0.440 12.748 -2.830 1.00 1.16 O ATOM 0 H ASP A 793 -0.673 10.487 0.907 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.638 10.602 -1.125 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.361 10.574 -0.962 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.380 10.282 -2.523 1.00 0.28 H new ATOM 271 N LEU A 794 -1.078 7.755 -0.692 1.00 0.18 N ATOM 272 CA LEU A 794 -1.117 6.334 -0.984 1.00 0.17 C ATOM 273 C LEU A 794 -2.469 5.737 -0.587 1.00 0.16 C ATOM 274 O LEU A 794 -3.114 5.059 -1.386 1.00 0.16 O ATOM 275 CB LEU A 794 0.041 5.639 -0.251 1.00 0.19 C ATOM 276 CG LEU A 794 -0.190 4.178 0.131 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.241 3.292 -1.106 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.887 3.693 1.089 1.00 0.22 C ATOM 0 H LEU A 794 -0.417 8.013 0.040 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.999 6.178 -2.056 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.929 5.693 -0.881 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.260 6.201 0.657 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.154 4.113 0.636 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.406 2.257 -0.806 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.056 3.617 -1.753 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.703 3.367 -1.646 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.702 2.650 1.347 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.864 3.781 0.613 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.869 4.300 1.994 1.00 0.22 H new ATOM 290 N ILE A 795 -2.910 6.021 0.634 1.00 0.18 N ATOM 291 CA ILE A 795 -4.176 5.497 1.137 1.00 0.20 C ATOM 292 C ILE A 795 -5.359 6.054 0.334 1.00 0.19 C ATOM 293 O ILE A 795 -6.302 5.324 0.021 1.00 0.20 O ATOM 294 CB ILE A 795 -4.352 5.771 2.657 1.00 0.28 C ATOM 295 CG1 ILE A 795 -5.385 4.822 3.259 1.00 0.51 C ATOM 296 CG2 ILE A 795 -4.751 7.213 2.935 1.00 0.51 C ATOM 297 CD1 ILE A 795 -4.936 3.376 3.282 1.00 0.48 C ATOM 0 H ILE A 795 -2.408 6.613 1.296 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.156 4.415 1.005 1.00 0.20 H new ATOM 0 HB ILE A 795 -3.384 5.596 3.127 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -5.610 5.141 4.277 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -6.311 4.897 2.690 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -4.863 7.359 4.009 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -3.980 7.883 2.556 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -5.697 7.431 2.439 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -5.719 2.759 3.723 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.739 3.040 2.264 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -4.026 3.287 3.876 1.00 0.48 H new ATOM 309 N MET A 796 -5.258 7.322 -0.070 1.00 0.22 N ATOM 310 CA MET A 796 -6.277 7.947 -0.913 1.00 0.26 C ATOM 311 C MET A 796 -6.336 7.262 -2.270 1.00 0.22 C ATOM 312 O MET A 796 -7.416 6.975 -2.779 1.00 0.23 O ATOM 313 CB MET A 796 -5.996 9.443 -1.105 1.00 0.38 C ATOM 314 CG MET A 796 -6.223 10.288 0.141 1.00 0.93 C ATOM 315 SD MET A 796 -7.956 10.370 0.632 1.00 2.03 S ATOM 316 CE MET A 796 -8.666 11.238 -0.766 1.00 2.69 C ATOM 0 H MET A 796 -4.480 7.936 0.174 1.00 0.22 H new ATOM 0 HA MET A 796 -7.237 7.836 -0.410 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.964 9.568 -1.431 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.631 9.820 -1.906 1.00 0.38 H new ATOM 0 HG2 MET A 796 -5.637 9.877 0.963 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.854 11.298 -0.040 1.00 0.93 H new ATOM 0 HE1 MET A 796 -9.630 11.660 -0.481 1.00 2.69 H new ATOM 0 HE2 MET A 796 -7.996 12.040 -1.075 1.00 2.69 H new ATOM 0 HE3 MET A 796 -8.805 10.542 -1.594 1.00 2.69 H new ATOM 326 N ALA A 797 -5.166 6.973 -2.834 1.00 0.21 N ATOM 327 CA ALA A 797 -5.081 6.289 -4.119 1.00 0.22 C ATOM 328 C ALA A 797 -5.711 4.908 -4.031 1.00 0.21 C ATOM 329 O ALA A 797 -6.505 4.521 -4.891 1.00 0.26 O ATOM 330 CB ALA A 797 -3.633 6.183 -4.580 1.00 0.27 C ATOM 0 H ALA A 797 -4.263 7.203 -2.419 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.632 6.876 -4.853 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.594 5.669 -5.541 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.211 7.182 -4.685 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.057 5.621 -3.844 1.00 0.27 H new ATOM 336 N ILE A 798 -5.403 4.197 -2.952 1.00 0.20 N ATOM 337 CA ILE A 798 -5.973 2.878 -2.711 1.00 0.26 C ATOM 338 C ILE A 798 -7.494 2.950 -2.650 1.00 0.27 C ATOM 339 O ILE A 798 -8.190 2.236 -3.374 1.00 0.33 O ATOM 340 CB ILE A 798 -5.453 2.273 -1.391 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.940 2.071 -1.447 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.147 0.952 -1.109 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.347 1.566 -0.148 1.00 0.67 C ATOM 0 H ILE A 798 -4.759 4.514 -2.228 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.667 2.241 -3.541 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.677 2.970 -0.583 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.706 1.364 -2.243 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.465 3.016 -1.710 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.771 0.536 -0.175 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.221 1.116 -1.027 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.947 0.255 -1.923 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.270 1.446 -0.262 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.550 2.283 0.648 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.794 0.605 0.107 1.00 0.67 H new ATOM 355 N ASN A 799 -7.998 3.830 -1.796 1.00 0.27 N ATOM 356 CA ASN A 799 -9.436 3.995 -1.625 1.00 0.33 C ATOM 357 C ASN A 799 -10.096 4.474 -2.910 1.00 0.31 C ATOM 358 O ASN A 799 -11.219 4.088 -3.211 1.00 0.40 O ATOM 359 CB ASN A 799 -9.753 4.956 -0.478 1.00 0.40 C ATOM 360 CG ASN A 799 -9.834 4.248 0.860 1.00 0.55 C ATOM 361 OD1 ASN A 799 -10.596 3.296 1.023 1.00 1.21 O ATOM 362 ND2 ASN A 799 -9.063 4.711 1.831 1.00 0.70 N ATOM 0 H ASN A 799 -7.431 4.442 -1.209 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.844 3.016 -1.375 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.986 5.729 -0.432 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.699 5.458 -0.679 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.088 4.276 2.753 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.444 5.503 1.657 1.00 0.70 H new ATOM 369 N SER A 800 -9.409 5.331 -3.653 1.00 0.30 N ATOM 370 CA SER A 800 -9.943 5.851 -4.902 1.00 0.35 C ATOM 371 C SER A 800 -10.158 4.721 -5.907 1.00 0.33 C ATOM 372 O SER A 800 -11.201 4.644 -6.562 1.00 0.41 O ATOM 373 CB SER A 800 -8.991 6.898 -5.489 1.00 0.44 C ATOM 374 OG SER A 800 -9.559 7.539 -6.620 1.00 1.29 O ATOM 0 H SER A 800 -8.481 5.680 -3.412 1.00 0.30 H new ATOM 0 HA SER A 800 -10.905 6.321 -4.695 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.753 7.642 -4.729 1.00 0.44 H new ATOM 0 HB3 SER A 800 -8.053 6.421 -5.773 1.00 0.44 H new ATOM 0 HG SER A 800 -8.929 8.202 -6.971 1.00 1.29 H new ATOM 380 N LYS A 801 -9.152 3.870 -6.053 1.00 0.29 N ATOM 381 CA LYS A 801 -9.214 2.763 -6.997 1.00 0.36 C ATOM 382 C LYS A 801 -10.230 1.708 -6.563 1.00 0.43 C ATOM 383 O LYS A 801 -11.017 1.220 -7.377 1.00 0.58 O ATOM 384 CB LYS A 801 -7.837 2.149 -7.174 1.00 0.43 C ATOM 385 CG LYS A 801 -6.831 3.141 -7.725 1.00 0.86 C ATOM 386 CD LYS A 801 -5.542 2.465 -8.131 1.00 1.06 C ATOM 387 CE LYS A 801 -5.714 1.652 -9.402 1.00 1.13 C ATOM 388 NZ LYS A 801 -6.068 2.502 -10.569 1.00 1.95 N ATOM 0 H LYS A 801 -8.280 3.926 -5.527 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.549 3.157 -7.957 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.484 1.772 -6.214 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.907 1.294 -7.846 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.260 3.653 -8.586 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.621 3.902 -6.973 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.768 3.217 -8.281 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.202 1.814 -7.325 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -4.791 1.113 -9.614 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -6.492 0.904 -9.250 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -5.864 1.986 -11.449 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -7.080 2.738 -10.532 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -5.508 3.378 -10.543 1.00 1.95 H new ATOM 402 N ILE A 802 -10.221 1.372 -5.279 1.00 0.39 N ATOM 403 CA ILE A 802 -11.163 0.398 -4.731 1.00 0.52 C ATOM 404 C ILE A 802 -12.571 0.986 -4.661 1.00 0.70 C ATOM 405 O ILE A 802 -12.744 2.151 -4.313 1.00 1.56 O ATOM 406 CB ILE A 802 -10.740 -0.072 -3.314 1.00 0.54 C ATOM 407 CG1 ILE A 802 -9.363 -0.745 -3.357 1.00 0.64 C ATOM 408 CG2 ILE A 802 -11.773 -1.028 -2.727 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.902 -1.287 -2.019 1.00 0.71 C ATOM 0 H ILE A 802 -9.571 1.759 -4.595 1.00 0.39 H new ATOM 0 HA ILE A 802 -11.158 -0.461 -5.402 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.680 0.807 -2.673 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -9.391 -1.562 -4.078 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.629 -0.025 -3.719 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -11.454 -1.343 -1.734 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -12.736 -0.523 -2.655 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.868 -1.902 -3.372 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.921 -1.748 -2.132 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.840 -0.472 -1.298 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -9.614 -2.032 -1.664 1.00 0.71 H new ATOM 421 N SER A 803 -13.578 0.180 -4.978 1.00 1.05 N ATOM 422 CA SER A 803 -14.956 0.642 -4.910 1.00 1.14 C ATOM 423 C SER A 803 -15.928 -0.537 -4.829 1.00 1.66 C ATOM 424 O SER A 803 -17.050 -0.466 -5.326 1.00 2.28 O ATOM 425 CB SER A 803 -15.274 1.519 -6.127 1.00 2.03 C ATOM 426 OG SER A 803 -16.459 2.273 -5.925 1.00 2.88 O ATOM 0 H SER A 803 -13.467 -0.787 -5.282 1.00 1.05 H new ATOM 0 HA SER A 803 -15.076 1.236 -4.004 1.00 1.14 H new ATOM 0 HB2 SER A 803 -14.440 2.194 -6.319 1.00 2.03 H new ATOM 0 HB3 SER A 803 -15.386 0.891 -7.011 1.00 2.03 H new ATOM 0 HG SER A 803 -17.176 1.679 -5.619 1.00 2.88 H new ATOM 432 N ASN A 804 -15.511 -1.604 -4.150 1.00 2.33 N ATOM 433 CA ASN A 804 -16.361 -2.782 -3.978 1.00 3.40 C ATOM 434 C ASN A 804 -15.751 -3.768 -2.985 1.00 3.88 C ATOM 435 O ASN A 804 -15.743 -4.973 -3.226 1.00 4.66 O ATOM 436 CB ASN A 804 -16.602 -3.499 -5.318 1.00 4.12 C ATOM 437 CG ASN A 804 -15.318 -3.814 -6.068 1.00 4.56 C ATOM 438 OD1 ASN A 804 -14.855 -3.018 -6.883 1.00 5.02 O ATOM 439 ND2 ASN A 804 -14.720 -4.959 -5.776 1.00 4.87 N ATOM 0 H ASN A 804 -14.593 -1.678 -3.711 1.00 2.33 H new ATOM 0 HA ASN A 804 -17.315 -2.427 -3.587 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -17.145 -4.426 -5.134 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -17.239 -2.876 -5.946 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -13.843 -5.207 -6.233 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -15.137 -5.593 -5.094 1.00 4.87 H new ATOM 446 N THR A 805 -15.271 -3.264 -1.855 1.00 3.74 N ATOM 447 CA THR A 805 -14.667 -4.128 -0.844 1.00 4.53 C ATOM 448 C THR A 805 -15.684 -5.150 -0.307 1.00 4.65 C ATOM 449 O THR A 805 -15.425 -6.351 -0.301 1.00 5.32 O ATOM 450 CB THR A 805 -14.053 -3.300 0.312 1.00 4.91 C ATOM 451 OG1 THR A 805 -13.548 -4.170 1.328 1.00 5.49 O ATOM 452 CG2 THR A 805 -15.065 -2.329 0.914 1.00 4.80 C ATOM 0 H THR A 805 -15.287 -2.273 -1.615 1.00 3.74 H new ATOM 0 HA THR A 805 -13.858 -4.679 -1.325 1.00 4.53 H new ATOM 0 HB THR A 805 -13.234 -2.713 -0.104 1.00 4.91 H new ATOM 0 HG1 THR A 805 -13.161 -3.636 2.053 1.00 5.49 H new ATOM 0 HG21 THR A 805 -14.595 -1.768 1.721 1.00 4.80 H new ATOM 0 HG22 THR A 805 -15.409 -1.638 0.144 1.00 4.80 H new ATOM 0 HG23 THR A 805 -15.915 -2.887 1.307 1.00 4.80 H new ATOM 460 N HIS A 806 -16.887 -4.675 -0.009 1.00 4.26 N ATOM 461 CA HIS A 806 -18.008 -5.538 0.376 1.00 4.59 C ATOM 462 C HIS A 806 -19.271 -4.693 0.403 1.00 4.36 C ATOM 463 O HIS A 806 -20.238 -4.987 1.107 1.00 4.80 O ATOM 464 CB HIS A 806 -17.753 -6.228 1.733 1.00 5.01 C ATOM 465 CG HIS A 806 -17.468 -5.294 2.872 1.00 5.39 C ATOM 466 ND1 HIS A 806 -18.450 -4.652 3.592 1.00 5.99 N ATOM 467 CD2 HIS A 806 -16.292 -4.879 3.397 1.00 5.63 C ATOM 468 CE1 HIS A 806 -17.891 -3.884 4.506 1.00 6.49 C ATOM 469 NE2 HIS A 806 -16.583 -4.002 4.409 1.00 6.32 N ATOM 0 H HIS A 806 -17.118 -3.682 -0.026 1.00 4.26 H new ATOM 0 HA HIS A 806 -18.122 -6.340 -0.353 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -18.624 -6.832 1.987 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -16.912 -6.912 1.624 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -15.306 -5.183 3.077 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -18.417 -3.262 5.215 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -15.899 -3.520 4.992 1.00 6.32 H new ATOM 478 N ASN A 807 -19.211 -3.636 -0.400 1.00 4.08 N ATOM 479 CA ASN A 807 -20.266 -2.646 -0.571 1.00 4.33 C ATOM 480 C ASN A 807 -19.680 -1.502 -1.389 1.00 3.86 C ATOM 481 O ASN A 807 -18.999 -1.754 -2.384 1.00 4.10 O ATOM 482 CB ASN A 807 -20.834 -2.130 0.769 1.00 4.87 C ATOM 483 CG ASN A 807 -19.781 -1.819 1.822 1.00 5.24 C ATOM 484 OD1 ASN A 807 -18.671 -1.380 1.517 1.00 5.49 O ATOM 485 ND2 ASN A 807 -20.148 -2.013 3.078 1.00 5.72 N ATOM 0 H ASN A 807 -18.391 -3.438 -0.973 1.00 4.08 H new ATOM 0 HA ASN A 807 -21.111 -3.108 -1.082 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -21.417 -1.229 0.579 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -21.521 -2.876 1.169 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -19.502 -1.797 3.837 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -21.077 -2.378 3.287 1.00 5.72 H new ATOM 492 N ASN A 808 -19.765 -0.284 -0.873 1.00 3.63 N ATOM 493 CA ASN A 808 -19.048 0.844 -1.458 1.00 3.49 C ATOM 494 C ASN A 808 -17.549 0.764 -1.120 1.00 2.65 C ATOM 495 O ASN A 808 -16.969 -0.325 -1.071 1.00 3.08 O ATOM 496 CB ASN A 808 -19.650 2.175 -0.973 1.00 4.33 C ATOM 497 CG ASN A 808 -19.648 2.367 0.547 1.00 4.99 C ATOM 498 OD1 ASN A 808 -19.140 1.400 1.297 1.00 5.77 O flip ATOM 499 ND2 ASN A 808 -20.104 3.397 1.042 1.00 5.03 N flip ATOM 0 H ASN A 808 -20.322 -0.050 -0.051 1.00 3.63 H new ATOM 0 HA ASN A 808 -19.154 0.798 -2.542 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -19.096 2.995 -1.429 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -20.677 2.245 -1.332 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -20.489 4.125 0.440 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -20.097 3.523 2.054 1.00 5.03 H new ATOM 506 N ASN A 809 -16.948 1.899 -0.791 1.00 1.96 N ATOM 507 CA ASN A 809 -15.552 1.934 -0.374 1.00 1.56 C ATOM 508 C ASN A 809 -15.344 3.034 0.657 1.00 1.72 C ATOM 509 O ASN A 809 -15.858 4.143 0.508 1.00 2.42 O ATOM 510 CB ASN A 809 -14.625 2.150 -1.574 1.00 1.91 C ATOM 511 CG ASN A 809 -14.826 3.490 -2.247 1.00 2.28 C ATOM 512 OD1 ASN A 809 -15.907 3.801 -2.747 1.00 3.06 O ATOM 513 ND2 ASN A 809 -13.778 4.289 -2.269 1.00 2.55 N ATOM 0 H ASN A 809 -17.406 2.810 -0.805 1.00 1.96 H new ATOM 0 HA ASN A 809 -15.305 0.972 0.075 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -13.589 2.068 -1.245 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -14.792 1.356 -2.302 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -13.844 5.205 -2.713 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -12.901 3.991 -1.842 1.00 2.55 H new ATOM 520 N ILE A 810 -14.666 2.690 1.744 1.00 1.83 N ATOM 521 CA ILE A 810 -14.446 3.622 2.846 1.00 2.18 C ATOM 522 C ILE A 810 -12.985 3.604 3.277 1.00 1.94 C ATOM 523 O ILE A 810 -12.341 4.651 3.378 1.00 2.25 O ATOM 524 CB ILE A 810 -15.322 3.267 4.072 1.00 2.63 C ATOM 525 CG1 ILE A 810 -16.811 3.299 3.714 1.00 3.05 C ATOM 526 CG2 ILE A 810 -15.040 4.216 5.231 1.00 3.04 C ATOM 527 CD1 ILE A 810 -17.317 4.666 3.305 1.00 3.44 C ATOM 0 H ILE A 810 -14.256 1.767 1.888 1.00 1.83 H new ATOM 0 HA ILE A 810 -14.719 4.614 2.485 1.00 2.18 H new ATOM 0 HB ILE A 810 -15.065 2.253 4.380 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -16.994 2.597 2.900 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -17.388 2.951 4.571 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -15.667 3.948 6.082 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -13.990 4.141 5.516 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -15.261 5.239 4.926 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -18.379 4.605 3.067 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -17.168 5.369 4.125 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -16.768 5.010 2.428 1.00 3.44 H new ATOM 539 N SER A 811 -12.481 2.409 3.558 1.00 1.61 N ATOM 540 CA SER A 811 -11.116 2.238 4.016 1.00 1.34 C ATOM 541 C SER A 811 -10.671 0.799 3.781 1.00 1.12 C ATOM 542 O SER A 811 -11.464 -0.134 3.920 1.00 1.24 O ATOM 543 CB SER A 811 -11.008 2.585 5.503 1.00 1.36 C ATOM 544 OG SER A 811 -9.656 2.699 5.911 1.00 1.89 O ATOM 0 H SER A 811 -13.006 1.539 3.474 1.00 1.61 H new ATOM 0 HA SER A 811 -10.467 2.910 3.454 1.00 1.34 H new ATOM 0 HB2 SER A 811 -11.529 3.523 5.698 1.00 1.36 H new ATOM 0 HB3 SER A 811 -11.504 1.816 6.095 1.00 1.36 H new ATOM 0 HG SER A 811 -9.563 3.455 6.528 1.00 1.89 H new ATOM 550 N PRO A 812 -9.402 0.600 3.391 1.00 0.88 N ATOM 551 CA PRO A 812 -8.847 -0.717 3.121 1.00 0.80 C ATOM 552 C PRO A 812 -8.453 -1.444 4.403 1.00 0.77 C ATOM 553 O PRO A 812 -7.313 -1.884 4.549 1.00 0.82 O ATOM 554 CB PRO A 812 -7.609 -0.435 2.250 1.00 0.77 C ATOM 555 CG PRO A 812 -7.487 1.055 2.155 1.00 0.75 C ATOM 556 CD PRO A 812 -8.407 1.648 3.184 1.00 0.82 C ATOM 0 HA PRO A 812 -9.571 -1.368 2.631 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.714 -0.870 2.695 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.721 -0.879 1.261 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.458 1.368 2.334 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.756 1.399 1.156 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.878 1.887 4.106 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.864 2.572 2.830 1.00 0.82 H new ATOM 564 N ILE A 813 -9.396 -1.522 5.346 1.00 0.87 N ATOM 565 CA ILE A 813 -9.194 -2.218 6.628 1.00 0.96 C ATOM 566 C ILE A 813 -8.290 -1.418 7.582 1.00 0.96 C ATOM 567 O ILE A 813 -8.221 -1.721 8.770 1.00 1.64 O ATOM 568 CB ILE A 813 -8.603 -3.639 6.415 1.00 1.06 C ATOM 569 CG1 ILE A 813 -9.461 -4.443 5.428 1.00 1.46 C ATOM 570 CG2 ILE A 813 -8.482 -4.392 7.735 1.00 1.22 C ATOM 571 CD1 ILE A 813 -10.889 -4.645 5.883 1.00 1.67 C ATOM 0 H ILE A 813 -10.322 -1.106 5.246 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.178 -2.310 7.087 1.00 0.96 H new ATOM 0 HB ILE A 813 -7.604 -3.519 5.997 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -9.465 -3.932 4.465 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -8.999 -5.417 5.270 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -8.065 -5.382 7.552 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -7.826 -3.841 8.409 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -9.468 -4.491 8.189 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -11.432 -5.221 5.134 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -10.896 -5.184 6.830 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.370 -3.676 6.013 1.00 1.67 H new ATOM 583 N THR A 814 -7.540 -0.465 7.022 1.00 0.83 N ATOM 584 CA THR A 814 -6.539 0.354 7.735 1.00 0.84 C ATOM 585 C THR A 814 -5.294 -0.466 8.074 1.00 0.71 C ATOM 586 O THR A 814 -4.168 -0.001 7.883 1.00 1.08 O ATOM 587 CB THR A 814 -7.072 1.072 9.011 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.309 0.151 10.082 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.349 1.838 8.710 1.00 1.90 C ATOM 0 H THR A 814 -7.610 -0.230 6.032 1.00 0.83 H new ATOM 0 HA THR A 814 -6.280 1.147 7.033 1.00 0.84 H new ATOM 0 HB THR A 814 -6.297 1.772 9.325 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.994 -0.496 9.812 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.700 2.330 9.617 1.00 1.90 H new ATOM 0 HG22 THR A 814 -8.152 2.588 7.944 1.00 1.90 H new ATOM 0 HG23 THR A 814 -9.112 1.147 8.353 1.00 1.90 H new ATOM 597 N LYS A 815 -5.494 -1.730 8.425 1.00 0.61 N ATOM 598 CA LYS A 815 -4.391 -2.660 8.645 1.00 0.82 C ATOM 599 C LYS A 815 -3.843 -3.163 7.316 1.00 0.88 C ATOM 600 O LYS A 815 -3.736 -4.368 7.099 1.00 1.68 O ATOM 601 CB LYS A 815 -4.847 -3.859 9.484 1.00 1.16 C ATOM 602 CG LYS A 815 -4.414 -3.819 10.947 1.00 1.29 C ATOM 603 CD LYS A 815 -5.308 -2.926 11.800 1.00 1.45 C ATOM 604 CE LYS A 815 -4.994 -1.451 11.611 1.00 1.74 C ATOM 605 NZ LYS A 815 -5.916 -0.579 12.387 1.00 2.52 N ATOM 0 H LYS A 815 -6.418 -2.138 8.565 1.00 0.61 H new ATOM 0 HA LYS A 815 -3.609 -2.124 9.182 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -5.935 -3.920 9.443 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -4.459 -4.771 9.030 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -4.424 -4.831 11.353 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -3.386 -3.462 11.008 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -6.352 -3.109 11.544 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -5.186 -3.190 12.850 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -3.967 -1.257 11.919 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.062 -1.199 10.553 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -6.603 -0.139 11.742 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -6.422 -1.150 13.094 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -5.369 0.163 12.869 1.00 2.52 H new ATOM 619 N ILE A 816 -3.555 -2.241 6.413 1.00 0.43 N ATOM 620 CA ILE A 816 -3.074 -2.598 5.091 1.00 0.34 C ATOM 621 C ILE A 816 -1.726 -3.300 5.167 1.00 0.30 C ATOM 622 O ILE A 816 -0.896 -3.008 6.034 1.00 0.33 O ATOM 623 CB ILE A 816 -2.962 -1.370 4.157 1.00 0.39 C ATOM 624 CG1 ILE A 816 -1.992 -0.330 4.726 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.333 -0.751 3.934 1.00 0.55 C ATOM 626 CD1 ILE A 816 -1.744 0.837 3.795 1.00 1.06 C ATOM 0 H ILE A 816 -3.646 -1.238 6.573 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.813 -3.280 4.670 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.568 -1.708 3.199 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.387 0.046 5.670 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.042 -0.815 4.949 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.240 0.112 3.275 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.994 -1.487 3.477 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -4.749 -0.434 4.890 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.048 1.534 4.262 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.319 0.472 2.860 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -2.686 1.347 3.591 1.00 1.06 H new ATOM 638 N LYS A 817 -1.500 -4.192 4.225 1.00 0.26 N ATOM 639 CA LYS A 817 -0.262 -4.939 4.151 1.00 0.24 C ATOM 640 C LYS A 817 0.291 -4.740 2.757 1.00 0.23 C ATOM 641 O LYS A 817 -0.474 -4.543 1.821 1.00 0.24 O ATOM 642 CB LYS A 817 -0.540 -6.422 4.402 1.00 0.33 C ATOM 643 CG LYS A 817 0.620 -7.198 4.995 1.00 0.74 C ATOM 644 CD LYS A 817 0.258 -8.665 5.142 1.00 0.68 C ATOM 645 CE LYS A 817 1.425 -9.486 5.652 1.00 1.18 C ATOM 646 NZ LYS A 817 1.578 -9.395 7.128 1.00 1.35 N ATOM 0 H LYS A 817 -2.169 -4.419 3.489 1.00 0.26 H new ATOM 0 HA LYS A 817 0.451 -4.597 4.901 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.396 -6.508 5.072 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -0.825 -6.888 3.459 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.498 -7.096 4.357 1.00 0.74 H new ATOM 0 HG3 LYS A 817 0.883 -6.783 5.968 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.583 -8.764 5.828 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.068 -9.057 4.179 1.00 0.68 H new ATOM 0 HE2 LYS A 817 1.284 -10.529 5.367 1.00 1.18 H new ATOM 0 HE3 LYS A 817 2.343 -9.146 5.172 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.139 -10.201 7.469 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 2.062 -8.508 7.373 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.640 -9.412 7.576 1.00 1.35 H new ATOM 660 N TYR A 818 1.592 -4.629 2.634 1.00 0.20 N ATOM 661 CA TYR A 818 2.178 -4.244 1.371 1.00 0.19 C ATOM 662 C TYR A 818 3.238 -5.240 0.948 1.00 0.18 C ATOM 663 O TYR A 818 3.840 -5.927 1.777 1.00 0.19 O ATOM 664 CB TYR A 818 2.748 -2.814 1.438 1.00 0.20 C ATOM 665 CG TYR A 818 4.106 -2.691 2.098 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.268 -2.979 1.400 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.219 -2.303 3.425 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.503 -2.878 2.003 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.451 -2.197 4.035 1.00 0.27 C ATOM 670 CZ TYR A 818 6.602 -2.450 3.289 1.00 0.26 C ATOM 671 OH TYR A 818 7.817 -2.363 3.932 1.00 0.30 O ATOM 0 H TYR A 818 2.261 -4.798 3.385 1.00 0.20 H new ATOM 0 HA TYR A 818 1.392 -4.249 0.615 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.818 -2.420 0.424 1.00 0.20 H new ATOM 0 HB3 TYR A 818 2.041 -2.183 1.977 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.205 -3.288 0.367 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.326 -2.080 3.990 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.394 -3.140 1.452 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.524 -1.922 5.077 1.00 0.27 H new ATOM 0 HH TYR A 818 7.702 -1.897 4.786 1.00 0.30 H new ATOM 681 N GLN A 819 3.326 -5.420 -0.348 1.00 0.17 N ATOM 682 CA GLN A 819 4.194 -6.412 -0.942 1.00 0.19 C ATOM 683 C GLN A 819 5.058 -5.755 -1.996 1.00 0.19 C ATOM 684 O GLN A 819 4.675 -4.735 -2.561 1.00 0.18 O ATOM 685 CB GLN A 819 3.394 -7.565 -1.560 1.00 0.22 C ATOM 686 CG GLN A 819 4.272 -8.646 -2.174 1.00 0.35 C ATOM 687 CD GLN A 819 3.514 -9.603 -3.079 1.00 0.45 C ATOM 688 OE1 GLN A 819 3.949 -9.706 -4.326 1.00 1.08 O flip ATOM 689 NE2 GLN A 819 2.550 -10.246 -2.669 1.00 0.90 N flip ATOM 0 H GLN A 819 2.793 -4.878 -1.028 1.00 0.17 H new ATOM 0 HA GLN A 819 4.822 -6.832 -0.157 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.762 -8.012 -0.792 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.730 -7.167 -2.327 1.00 0.22 H new ATOM 0 HG2 GLN A 819 5.070 -8.173 -2.746 1.00 0.35 H new ATOM 0 HG3 GLN A 819 4.747 -9.214 -1.374 1.00 0.35 H new ATOM 0 HE21 GLN A 819 2.242 -10.142 -1.702 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.058 -10.883 -3.296 1.00 0.90 H new ATOM 698 N ASP A 820 6.261 -6.270 -2.161 1.00 0.22 N ATOM 699 CA ASP A 820 7.275 -5.594 -2.948 1.00 0.24 C ATOM 700 C ASP A 820 7.741 -6.506 -4.071 1.00 0.28 C ATOM 701 O ASP A 820 7.641 -7.734 -3.959 1.00 0.38 O ATOM 702 CB ASP A 820 8.483 -5.270 -2.069 1.00 0.31 C ATOM 703 CG ASP A 820 8.146 -4.483 -0.825 1.00 0.96 C ATOM 704 OD1 ASP A 820 7.192 -3.689 -0.857 1.00 1.73 O ATOM 705 OD2 ASP A 820 8.877 -4.636 0.180 1.00 1.38 O ATOM 0 H ASP A 820 6.561 -7.158 -1.759 1.00 0.22 H new ATOM 0 HA ASP A 820 6.848 -4.677 -3.354 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.967 -6.202 -1.777 1.00 0.31 H new ATOM 0 HB3 ASP A 820 9.207 -4.706 -2.658 1.00 0.31 H new ATOM 710 N GLU A 821 8.051 -5.875 -5.207 1.00 0.28 N ATOM 711 CA GLU A 821 8.344 -6.533 -6.481 1.00 0.38 C ATOM 712 C GLU A 821 9.211 -7.780 -6.341 1.00 0.85 C ATOM 713 O GLU A 821 8.935 -8.809 -6.959 1.00 0.63 O ATOM 714 CB GLU A 821 9.037 -5.517 -7.387 1.00 1.20 C ATOM 715 CG GLU A 821 9.217 -5.971 -8.822 1.00 1.63 C ATOM 716 CD GLU A 821 9.712 -4.853 -9.716 1.00 2.62 C ATOM 717 OE1 GLU A 821 9.824 -3.701 -9.244 1.00 3.38 O ATOM 718 OE2 GLU A 821 9.981 -5.120 -10.905 1.00 3.04 O ATOM 0 H GLU A 821 8.106 -4.858 -5.266 1.00 0.28 H new ATOM 0 HA GLU A 821 7.400 -6.874 -6.905 1.00 0.38 H new ATOM 0 HB2 GLU A 821 8.460 -4.592 -7.382 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.016 -5.284 -6.968 1.00 1.20 H new ATOM 0 HG2 GLU A 821 9.924 -6.800 -8.853 1.00 1.63 H new ATOM 0 HG3 GLU A 821 8.268 -6.347 -9.204 1.00 1.63 H new ATOM 725 N ASP A 822 10.265 -7.675 -5.557 1.00 1.90 N ATOM 726 CA ASP A 822 11.196 -8.789 -5.380 1.00 2.86 C ATOM 727 C ASP A 822 10.491 -9.989 -4.760 1.00 2.24 C ATOM 728 O ASP A 822 10.707 -11.131 -5.169 1.00 2.49 O ATOM 729 CB ASP A 822 12.395 -8.380 -4.519 1.00 3.96 C ATOM 730 CG ASP A 822 13.394 -7.509 -5.259 1.00 5.04 C ATOM 731 OD1 ASP A 822 13.180 -7.253 -6.465 1.00 5.45 O ATOM 732 OD2 ASP A 822 14.380 -7.052 -4.643 1.00 5.63 O ATOM 0 H ASP A 822 10.504 -6.835 -5.030 1.00 1.90 H new ATOM 0 HA ASP A 822 11.564 -9.070 -6.367 1.00 2.86 H new ATOM 0 HB2 ASP A 822 12.037 -7.844 -3.640 1.00 3.96 H new ATOM 0 HB3 ASP A 822 12.900 -9.277 -4.161 1.00 3.96 H new ATOM 737 N GLY A 823 9.586 -9.719 -3.835 1.00 1.39 N ATOM 738 CA GLY A 823 8.800 -10.776 -3.239 1.00 0.79 C ATOM 739 C GLY A 823 8.825 -10.727 -1.730 1.00 0.74 C ATOM 740 O GLY A 823 9.300 -11.662 -1.079 1.00 0.91 O ATOM 0 H GLY A 823 9.381 -8.783 -3.485 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.770 -10.699 -3.586 1.00 0.79 H new ATOM 0 HA3 GLY A 823 9.179 -11.741 -3.575 1.00 0.79 H new ATOM 744 N ASP A 824 8.379 -9.617 -1.170 1.00 0.55 N ATOM 745 CA ASP A 824 8.393 -9.443 0.281 1.00 0.53 C ATOM 746 C ASP A 824 7.071 -8.871 0.765 1.00 0.40 C ATOM 747 O ASP A 824 6.411 -8.138 0.036 1.00 0.32 O ATOM 748 CB ASP A 824 9.551 -8.543 0.722 1.00 0.61 C ATOM 749 CG ASP A 824 9.820 -8.642 2.212 1.00 0.97 C ATOM 750 OD1 ASP A 824 10.020 -9.764 2.717 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.808 -7.592 2.892 1.00 1.47 O ATOM 0 H ASP A 824 8.004 -8.824 -1.690 1.00 0.55 H new ATOM 0 HA ASP A 824 8.537 -10.426 0.730 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.452 -8.818 0.173 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.324 -7.509 0.464 1.00 0.61 H new ATOM 756 N PHE A 825 6.661 -9.274 1.960 1.00 0.43 N ATOM 757 CA PHE A 825 5.375 -8.868 2.516 1.00 0.38 C ATOM 758 C PHE A 825 5.573 -8.253 3.897 1.00 0.40 C ATOM 759 O PHE A 825 6.307 -8.784 4.736 1.00 0.47 O ATOM 760 CB PHE A 825 4.438 -10.072 2.629 1.00 0.47 C ATOM 761 CG PHE A 825 3.149 -9.929 1.865 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.218 -8.962 2.209 1.00 0.55 C ATOM 763 CD2 PHE A 825 2.863 -10.776 0.809 1.00 0.91 C ATOM 764 CE1 PHE A 825 1.034 -8.844 1.518 1.00 0.80 C ATOM 765 CE2 PHE A 825 1.675 -10.663 0.114 1.00 1.16 C ATOM 766 CZ PHE A 825 0.760 -9.697 0.469 1.00 1.04 C ATOM 0 H PHE A 825 7.205 -9.887 2.568 1.00 0.43 H new ATOM 0 HA PHE A 825 4.930 -8.130 1.849 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.961 -10.959 2.272 1.00 0.47 H new ATOM 0 HB3 PHE A 825 4.206 -10.240 3.681 1.00 0.47 H new ATOM 0 HD1 PHE A 825 2.424 -8.292 3.030 1.00 0.55 H new ATOM 0 HD2 PHE A 825 3.577 -11.535 0.525 1.00 0.91 H new ATOM 0 HE1 PHE A 825 0.319 -8.084 1.797 1.00 0.80 H new ATOM 0 HE2 PHE A 825 1.464 -11.332 -0.707 1.00 1.16 H new ATOM 0 HZ PHE A 825 -0.170 -9.607 -0.073 1.00 1.04 H new ATOM 776 N VAL A 826 5.017 -7.065 4.060 1.00 0.35 N ATOM 777 CA VAL A 826 5.204 -6.244 5.251 1.00 0.39 C ATOM 778 C VAL A 826 3.906 -5.507 5.551 1.00 0.31 C ATOM 779 O VAL A 826 3.129 -5.246 4.642 1.00 0.29 O ATOM 780 CB VAL A 826 6.338 -5.202 5.076 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.537 -4.393 6.347 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.643 -5.858 4.664 1.00 0.95 C ATOM 0 H VAL A 826 4.413 -6.634 3.360 1.00 0.35 H new ATOM 0 HA VAL A 826 5.482 -6.907 6.070 1.00 0.39 H new ATOM 0 HB VAL A 826 6.032 -4.527 4.277 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.338 -3.670 6.196 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.614 -3.867 6.591 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.801 -5.062 7.166 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.414 -5.096 4.551 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.948 -6.572 5.429 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.505 -6.378 3.716 1.00 0.95 H new ATOM 792 N VAL A 827 3.625 -5.239 6.812 1.00 0.33 N ATOM 793 CA VAL A 827 2.374 -4.600 7.179 1.00 0.32 C ATOM 794 C VAL A 827 2.665 -3.331 7.964 1.00 0.35 C ATOM 795 O VAL A 827 3.674 -3.247 8.672 1.00 0.40 O ATOM 796 CB VAL A 827 1.482 -5.547 8.017 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.146 -5.912 9.336 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.115 -4.933 8.262 1.00 1.22 C ATOM 0 H VAL A 827 4.242 -5.452 7.596 1.00 0.33 H new ATOM 0 HA VAL A 827 1.833 -4.353 6.265 1.00 0.32 H new ATOM 0 HB VAL A 827 1.349 -6.464 7.442 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.493 -6.578 9.900 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.094 -6.413 9.140 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.328 -5.006 9.915 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.491 -5.619 8.853 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.230 -3.993 8.802 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.376 -4.745 7.307 1.00 1.22 H new ATOM 808 N LEU A 828 1.944 -2.274 7.617 1.00 0.34 N ATOM 809 CA LEU A 828 2.291 -0.948 8.085 1.00 0.38 C ATOM 810 C LEU A 828 1.099 -0.243 8.720 1.00 0.44 C ATOM 811 O LEU A 828 -0.051 -0.423 8.307 1.00 0.48 O ATOM 812 CB LEU A 828 2.882 -0.110 6.928 1.00 0.38 C ATOM 813 CG LEU A 828 1.959 0.184 5.733 1.00 0.39 C ATOM 814 CD1 LEU A 828 1.038 1.361 6.020 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.782 0.464 4.487 1.00 0.96 C ATOM 0 H LEU A 828 1.121 -2.312 7.016 1.00 0.34 H new ATOM 0 HA LEU A 828 3.049 -1.054 8.861 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.219 0.842 7.338 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.766 -0.626 6.554 1.00 0.38 H new ATOM 0 HG LEU A 828 1.341 -0.698 5.566 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.399 1.542 5.156 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.419 1.135 6.888 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.636 2.250 6.222 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.116 0.670 3.650 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.424 1.328 4.661 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.398 -0.405 4.255 1.00 0.96 H new ATOM 827 N GLY A 829 1.389 0.545 9.739 1.00 0.53 N ATOM 828 CA GLY A 829 0.362 1.284 10.432 1.00 0.63 C ATOM 829 C GLY A 829 0.939 2.157 11.522 1.00 0.73 C ATOM 830 O GLY A 829 0.325 2.335 12.575 1.00 1.20 O ATOM 0 H GLY A 829 2.332 0.687 10.102 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.183 1.904 9.720 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.357 0.589 10.865 1.00 0.63 H new ATOM 834 N SER A 830 2.151 2.658 11.300 1.00 0.74 N ATOM 835 CA SER A 830 2.826 3.481 12.294 1.00 0.85 C ATOM 836 C SER A 830 3.812 4.438 11.629 1.00 0.98 C ATOM 837 O SER A 830 4.760 4.901 12.263 1.00 1.93 O ATOM 838 CB SER A 830 3.548 2.594 13.312 1.00 0.89 C ATOM 839 OG SER A 830 2.638 1.724 13.971 1.00 1.58 O ATOM 0 H SER A 830 2.683 2.508 10.443 1.00 0.74 H new ATOM 0 HA SER A 830 2.075 4.075 12.815 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.316 2.007 12.807 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.056 3.218 14.047 1.00 0.89 H new ATOM 0 HG SER A 830 3.125 1.168 14.614 1.00 1.58 H new ATOM 845 N ASP A 831 3.518 4.771 10.370 1.00 0.62 N ATOM 846 CA ASP A 831 4.277 5.739 9.554 1.00 0.62 C ATOM 847 C ASP A 831 5.733 5.312 9.277 1.00 0.58 C ATOM 848 O ASP A 831 6.187 5.405 8.138 1.00 0.97 O ATOM 849 CB ASP A 831 4.189 7.174 10.135 1.00 0.86 C ATOM 850 CG ASP A 831 5.325 7.574 11.066 1.00 1.20 C ATOM 851 OD1 ASP A 831 6.476 7.693 10.591 1.00 1.79 O ATOM 852 OD2 ASP A 831 5.088 7.727 12.280 1.00 1.74 O ATOM 0 H ASP A 831 2.725 4.367 9.871 1.00 0.62 H new ATOM 0 HA ASP A 831 3.790 5.748 8.579 1.00 0.62 H new ATOM 0 HB2 ASP A 831 4.155 7.881 9.306 1.00 0.86 H new ATOM 0 HB3 ASP A 831 3.248 7.271 10.676 1.00 0.86 H new ATOM 857 N GLU A 832 6.455 4.842 10.291 1.00 0.50 N ATOM 858 CA GLU A 832 7.851 4.428 10.125 1.00 0.44 C ATOM 859 C GLU A 832 7.964 3.259 9.153 1.00 0.34 C ATOM 860 O GLU A 832 8.900 3.175 8.359 1.00 0.34 O ATOM 861 CB GLU A 832 8.451 4.023 11.469 1.00 0.56 C ATOM 862 CG GLU A 832 8.481 5.141 12.495 1.00 1.41 C ATOM 863 CD GLU A 832 9.085 4.696 13.810 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.440 3.507 13.936 1.00 2.62 O ATOM 865 OE2 GLU A 832 9.212 5.533 14.730 1.00 2.93 O ATOM 0 H GLU A 832 6.097 4.737 11.240 1.00 0.50 H new ATOM 0 HA GLU A 832 8.401 5.278 9.721 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.879 3.188 11.874 1.00 0.56 H new ATOM 0 HB3 GLU A 832 9.468 3.664 11.308 1.00 0.56 H new ATOM 0 HG2 GLU A 832 9.054 5.979 12.099 1.00 1.41 H new ATOM 0 HG3 GLU A 832 7.467 5.501 12.667 1.00 1.41 H new ATOM 872 N ASP A 833 6.986 2.377 9.219 1.00 0.32 N ATOM 873 CA ASP A 833 6.919 1.207 8.353 1.00 0.29 C ATOM 874 C ASP A 833 6.707 1.602 6.892 1.00 0.24 C ATOM 875 O ASP A 833 7.423 1.137 5.999 1.00 0.23 O ATOM 876 CB ASP A 833 5.811 0.261 8.839 1.00 0.38 C ATOM 877 CG ASP A 833 4.621 0.982 9.458 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.388 2.150 9.094 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.932 0.410 10.330 1.00 1.50 O ATOM 0 H ASP A 833 6.210 2.449 9.877 1.00 0.32 H new ATOM 0 HA ASP A 833 7.874 0.684 8.406 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.464 -0.340 7.999 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.229 -0.428 9.573 1.00 0.38 H new ATOM 884 N TRP A 834 5.802 2.537 6.651 1.00 0.22 N ATOM 885 CA TRP A 834 5.618 3.058 5.305 1.00 0.20 C ATOM 886 C TRP A 834 6.866 3.820 4.870 1.00 0.19 C ATOM 887 O TRP A 834 7.302 3.713 3.724 1.00 0.18 O ATOM 888 CB TRP A 834 4.383 3.961 5.217 1.00 0.23 C ATOM 889 CG TRP A 834 4.229 4.630 3.881 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.037 5.961 3.652 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.265 4.002 2.590 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.948 6.200 2.302 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.087 5.016 1.629 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.435 2.685 2.150 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.070 4.752 0.261 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.420 2.431 0.792 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.241 3.455 -0.133 1.00 0.19 C ATOM 0 H TRP A 834 5.191 2.946 7.358 1.00 0.22 H new ATOM 0 HA TRP A 834 5.458 2.215 4.633 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.492 3.367 5.423 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.444 4.724 5.993 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.965 6.717 4.420 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.802 7.113 1.871 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.575 1.882 2.858 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.927 5.543 -0.461 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.550 1.418 0.442 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.237 3.219 -1.187 1.00 0.19 H new ATOM 908 N ASN A 835 7.461 4.544 5.814 1.00 0.22 N ATOM 909 CA ASN A 835 8.676 5.307 5.554 1.00 0.25 C ATOM 910 C ASN A 835 9.763 4.408 4.975 1.00 0.21 C ATOM 911 O ASN A 835 10.312 4.695 3.909 1.00 0.21 O ATOM 912 CB ASN A 835 9.179 5.967 6.844 1.00 0.34 C ATOM 913 CG ASN A 835 10.254 7.014 6.601 1.00 1.15 C ATOM 914 OD1 ASN A 835 11.305 6.734 6.026 1.00 1.66 O ATOM 915 ND2 ASN A 835 10.001 8.234 7.053 1.00 2.00 N ATOM 0 H ASN A 835 7.118 4.618 6.772 1.00 0.22 H new ATOM 0 HA ASN A 835 8.440 6.083 4.826 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.338 6.432 7.359 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.573 5.198 7.508 1.00 0.34 H new ATOM 0 HD21 ASN A 835 10.689 8.977 6.929 1.00 2.00 H new ATOM 0 HD22 ASN A 835 9.118 8.430 7.525 1.00 2.00 H new ATOM 922 N VAL A 836 10.032 3.291 5.650 1.00 0.22 N ATOM 923 CA VAL A 836 11.057 2.364 5.192 1.00 0.25 C ATOM 924 C VAL A 836 10.685 1.742 3.847 1.00 0.19 C ATOM 925 O VAL A 836 11.549 1.599 2.984 1.00 0.19 O ATOM 926 CB VAL A 836 11.387 1.263 6.229 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.841 1.892 7.535 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.209 0.333 6.461 1.00 1.22 C ATOM 0 H VAL A 836 9.557 3.011 6.508 1.00 0.22 H new ATOM 0 HA VAL A 836 11.962 2.958 5.064 1.00 0.25 H new ATOM 0 HB VAL A 836 12.200 0.659 5.825 1.00 0.39 H new ATOM 0 HG11 VAL A 836 12.070 1.108 8.256 1.00 1.36 H new ATOM 0 HG12 VAL A 836 12.732 2.494 7.358 1.00 1.36 H new ATOM 0 HG13 VAL A 836 11.047 2.526 7.929 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.483 -0.425 7.195 1.00 1.22 H new ATOM 0 HG22 VAL A 836 9.360 0.907 6.831 1.00 1.22 H new ATOM 0 HG23 VAL A 836 9.938 -0.152 5.523 1.00 1.22 H new ATOM 938 N ALA A 837 9.394 1.454 3.626 1.00 0.16 N ATOM 939 CA ALA A 837 8.966 0.938 2.324 1.00 0.15 C ATOM 940 C ALA A 837 9.284 1.941 1.218 1.00 0.15 C ATOM 941 O ALA A 837 9.890 1.582 0.212 1.00 0.19 O ATOM 942 CB ALA A 837 7.482 0.575 2.302 1.00 0.17 C ATOM 0 H ALA A 837 8.648 1.566 4.313 1.00 0.16 H new ATOM 0 HA ALA A 837 9.526 0.020 2.145 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.214 0.198 1.315 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.284 -0.193 3.050 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.887 1.461 2.525 1.00 0.17 H new ATOM 948 N LYS A 838 8.920 3.205 1.432 1.00 0.14 N ATOM 949 CA LYS A 838 9.192 4.257 0.449 1.00 0.19 C ATOM 950 C LYS A 838 10.672 4.338 0.109 1.00 0.20 C ATOM 951 O LYS A 838 11.048 4.329 -1.063 1.00 0.24 O ATOM 952 CB LYS A 838 8.758 5.624 0.958 1.00 0.23 C ATOM 953 CG LYS A 838 7.306 5.712 1.362 1.00 0.23 C ATOM 954 CD LYS A 838 6.877 7.163 1.571 1.00 0.40 C ATOM 955 CE LYS A 838 7.639 7.847 2.703 1.00 0.49 C ATOM 956 NZ LYS A 838 8.949 8.408 2.260 1.00 1.22 N ATOM 0 H LYS A 838 8.439 3.526 2.272 1.00 0.14 H new ATOM 0 HA LYS A 838 8.620 3.991 -0.440 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.377 5.891 1.815 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.951 6.364 0.182 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.684 5.253 0.594 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.147 5.147 2.280 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.031 7.720 0.647 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.809 7.194 1.787 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.026 8.649 3.115 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.809 7.130 3.506 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 9.715 7.989 2.825 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 9.099 8.187 1.255 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 8.947 9.440 2.391 1.00 1.22 H new ATOM 970 N GLU A 839 11.502 4.482 1.138 1.00 0.21 N ATOM 971 CA GLU A 839 12.939 4.636 0.941 1.00 0.26 C ATOM 972 C GLU A 839 13.497 3.424 0.217 1.00 0.27 C ATOM 973 O GLU A 839 14.284 3.552 -0.718 1.00 0.31 O ATOM 974 CB GLU A 839 13.657 4.815 2.276 1.00 0.32 C ATOM 975 CG GLU A 839 13.023 5.859 3.181 1.00 0.47 C ATOM 976 CD GLU A 839 12.774 7.180 2.483 1.00 1.34 C ATOM 977 OE1 GLU A 839 13.750 7.798 2.007 1.00 2.22 O ATOM 978 OE2 GLU A 839 11.606 7.606 2.398 1.00 1.85 O ATOM 0 H GLU A 839 11.205 4.495 2.114 1.00 0.21 H new ATOM 0 HA GLU A 839 13.106 5.528 0.337 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.676 3.859 2.798 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.693 5.094 2.086 1.00 0.32 H new ATOM 0 HG2 GLU A 839 12.078 5.473 3.563 1.00 0.47 H new ATOM 0 HG3 GLU A 839 13.671 6.026 4.042 1.00 0.47 H new ATOM 985 N MET A 840 13.001 2.260 0.608 1.00 0.27 N ATOM 986 CA MET A 840 13.350 0.999 -0.026 1.00 0.31 C ATOM 987 C MET A 840 13.023 1.032 -1.518 1.00 0.34 C ATOM 988 O MET A 840 13.870 0.712 -2.354 1.00 0.40 O ATOM 989 CB MET A 840 12.576 -0.122 0.666 1.00 0.32 C ATOM 990 CG MET A 840 12.607 -1.457 -0.051 1.00 0.36 C ATOM 991 SD MET A 840 11.390 -2.595 0.624 1.00 0.76 S ATOM 992 CE MET A 840 9.866 -1.730 0.230 1.00 0.35 C ATOM 0 H MET A 840 12.341 2.164 1.379 1.00 0.27 H new ATOM 0 HA MET A 840 14.422 0.826 0.072 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.979 -0.256 1.670 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.537 0.189 0.779 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.415 -1.305 -1.113 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.602 -1.894 0.034 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.133 -1.909 1.016 1.00 0.35 H new ATOM 0 HE2 MET A 840 10.064 -0.661 0.154 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.476 -2.095 -0.720 1.00 0.35 H new ATOM 1002 N LEU A 841 11.801 1.440 -1.838 1.00 0.30 N ATOM 1003 CA LEU A 841 11.342 1.523 -3.220 1.00 0.35 C ATOM 1004 C LEU A 841 12.192 2.505 -4.028 1.00 0.39 C ATOM 1005 O LEU A 841 12.668 2.186 -5.121 1.00 0.50 O ATOM 1006 CB LEU A 841 9.872 1.971 -3.264 1.00 0.33 C ATOM 1007 CG LEU A 841 8.886 1.104 -2.473 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.513 1.753 -2.444 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.792 -0.294 -3.057 1.00 0.62 C ATOM 0 H LEU A 841 11.102 1.722 -1.150 1.00 0.30 H new ATOM 0 HA LEU A 841 11.439 0.531 -3.662 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.812 2.992 -2.887 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.550 1.996 -4.305 1.00 0.33 H new ATOM 0 HG LEU A 841 9.259 1.021 -1.452 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.825 1.124 -1.878 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.583 2.732 -1.970 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.144 1.869 -3.463 1.00 0.62 H new ATOM 0 HD21 LEU A 841 8.085 -0.885 -2.475 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.450 -0.234 -4.090 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.773 -0.768 -3.026 1.00 0.62 H new ATOM 1021 N ALA A 842 12.341 3.712 -3.499 1.00 0.36 N ATOM 1022 CA ALA A 842 13.065 4.771 -4.191 1.00 0.44 C ATOM 1023 C ALA A 842 14.539 4.427 -4.370 1.00 0.52 C ATOM 1024 O ALA A 842 15.118 4.672 -5.427 1.00 0.61 O ATOM 1025 CB ALA A 842 12.914 6.084 -3.437 1.00 0.47 C ATOM 0 H ALA A 842 11.969 3.983 -2.589 1.00 0.36 H new ATOM 0 HA ALA A 842 12.632 4.875 -5.186 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.458 6.869 -3.961 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.859 6.351 -3.379 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.317 5.974 -2.430 1.00 0.47 H new ATOM 1031 N GLU A 843 15.157 3.921 -3.315 1.00 0.53 N ATOM 1032 CA GLU A 843 16.582 3.614 -3.337 1.00 0.66 C ATOM 1033 C GLU A 843 16.881 2.446 -4.270 1.00 0.71 C ATOM 1034 O GLU A 843 17.738 2.540 -5.148 1.00 0.81 O ATOM 1035 CB GLU A 843 17.065 3.283 -1.924 1.00 0.71 C ATOM 1036 CG GLU A 843 18.568 3.127 -1.807 1.00 1.45 C ATOM 1037 CD GLU A 843 19.001 2.721 -0.417 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.725 1.572 -0.018 1.00 2.92 O ATOM 1039 OE2 GLU A 843 19.635 3.545 0.280 1.00 2.43 O ATOM 0 H GLU A 843 14.695 3.713 -2.430 1.00 0.53 H new ATOM 0 HA GLU A 843 17.111 4.491 -3.709 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.738 4.071 -1.245 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.588 2.360 -1.595 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.909 2.380 -2.523 1.00 1.45 H new ATOM 0 HG3 GLU A 843 19.050 4.068 -2.074 1.00 1.45 H new ATOM 1046 N ASN A 844 16.201 1.333 -4.031 1.00 0.67 N ATOM 1047 CA ASN A 844 16.423 0.099 -4.781 1.00 0.80 C ATOM 1048 C ASN A 844 15.980 0.215 -6.233 1.00 0.79 C ATOM 1049 O ASN A 844 16.528 -0.476 -7.089 1.00 1.11 O ATOM 1050 CB ASN A 844 15.709 -1.072 -4.108 1.00 0.85 C ATOM 1051 CG ASN A 844 16.404 -1.519 -2.835 1.00 0.97 C ATOM 1052 OD1 ASN A 844 17.501 -2.076 -2.876 1.00 1.53 O ATOM 1053 ND2 ASN A 844 15.784 -1.254 -1.695 1.00 1.15 N ATOM 0 H ASN A 844 15.480 1.257 -3.313 1.00 0.67 H new ATOM 0 HA ASN A 844 17.498 -0.083 -4.781 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.683 -0.784 -3.877 1.00 0.85 H new ATOM 0 HB3 ASN A 844 15.656 -1.910 -4.803 1.00 0.85 H new ATOM 0 HD21 ASN A 844 16.215 -1.513 -0.808 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.875 -0.791 -1.704 1.00 1.15 H new ATOM 1060 N ASN A 845 14.884 0.962 -6.451 1.00 0.62 N ATOM 1061 CA ASN A 845 14.220 1.105 -7.766 1.00 0.71 C ATOM 1062 C ASN A 845 13.102 0.074 -7.892 1.00 0.61 C ATOM 1063 O ASN A 845 12.210 0.203 -8.736 1.00 0.71 O ATOM 1064 CB ASN A 845 15.209 1.019 -8.954 1.00 0.92 C ATOM 1065 CG ASN A 845 14.994 -0.199 -9.845 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.110 -0.214 -10.705 1.00 1.90 O ATOM 1067 ND2 ASN A 845 15.797 -1.227 -9.641 1.00 1.48 N ATOM 0 H ASN A 845 14.425 1.493 -5.711 1.00 0.62 H new ATOM 0 HA ASN A 845 13.791 2.106 -7.813 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.116 1.921 -9.559 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.228 0.999 -8.566 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.698 -2.071 -10.205 1.00 1.48 H new ATOM 0 HD22 ASN A 845 16.517 -1.177 -8.920 1.00 1.48 H new ATOM 1074 N GLU A 846 13.028 -0.805 -6.898 1.00 0.55 N ATOM 1075 CA GLU A 846 11.887 -1.692 -6.749 1.00 0.63 C ATOM 1076 C GLU A 846 10.663 -0.846 -6.443 1.00 0.73 C ATOM 1077 O GLU A 846 10.733 0.039 -5.601 1.00 1.49 O ATOM 1078 CB GLU A 846 12.157 -2.684 -5.615 1.00 0.77 C ATOM 1079 CG GLU A 846 10.931 -3.438 -5.130 1.00 1.40 C ATOM 1080 CD GLU A 846 11.254 -4.395 -4.003 1.00 2.19 C ATOM 1081 OE1 GLU A 846 11.869 -3.964 -3.006 1.00 2.54 O ATOM 1082 OE2 GLU A 846 10.906 -5.585 -4.109 1.00 2.97 O ATOM 0 H GLU A 846 13.747 -0.920 -6.184 1.00 0.55 H new ATOM 0 HA GLU A 846 11.717 -2.258 -7.665 1.00 0.63 H new ATOM 0 HB2 GLU A 846 12.902 -3.405 -5.951 1.00 0.77 H new ATOM 0 HB3 GLU A 846 12.592 -2.144 -4.774 1.00 0.77 H new ATOM 0 HG2 GLU A 846 10.178 -2.725 -4.794 1.00 1.40 H new ATOM 0 HG3 GLU A 846 10.496 -3.993 -5.961 1.00 1.40 H new ATOM 1089 N LYS A 847 9.633 -0.947 -7.264 1.00 0.42 N ATOM 1090 CA LYS A 847 8.531 -0.003 -7.152 1.00 0.37 C ATOM 1091 C LYS A 847 7.191 -0.667 -7.430 1.00 0.35 C ATOM 1092 O LYS A 847 6.138 -0.038 -7.305 1.00 0.44 O ATOM 1093 CB LYS A 847 8.773 1.178 -8.097 1.00 0.44 C ATOM 1094 CG LYS A 847 7.819 2.343 -7.900 1.00 0.63 C ATOM 1095 CD LYS A 847 8.393 3.654 -8.427 1.00 1.29 C ATOM 1096 CE LYS A 847 8.756 3.583 -9.906 1.00 1.80 C ATOM 1097 NZ LYS A 847 10.105 2.994 -10.132 1.00 2.40 N ATOM 0 H LYS A 847 9.534 -1.651 -7.996 1.00 0.42 H new ATOM 0 HA LYS A 847 8.491 0.364 -6.127 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.794 1.533 -7.961 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.692 0.827 -9.126 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.879 2.130 -8.408 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.591 2.448 -6.839 1.00 0.63 H new ATOM 0 HD2 LYS A 847 7.667 4.452 -8.273 1.00 1.29 H new ATOM 0 HD3 LYS A 847 9.281 3.915 -7.851 1.00 1.29 H new ATOM 0 HE2 LYS A 847 8.010 2.988 -10.432 1.00 1.80 H new ATOM 0 HE3 LYS A 847 8.724 4.585 -10.334 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 10.582 3.505 -10.902 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 10.669 3.074 -9.262 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 10.007 1.991 -10.391 1.00 2.40 H new ATOM 1111 N PHE A 848 7.217 -1.977 -7.595 1.00 0.32 N ATOM 1112 CA PHE A 848 5.979 -2.730 -7.635 1.00 0.30 C ATOM 1113 C PHE A 848 5.470 -2.886 -6.220 1.00 0.24 C ATOM 1114 O PHE A 848 6.199 -3.356 -5.347 1.00 0.21 O ATOM 1115 CB PHE A 848 6.185 -4.109 -8.252 1.00 0.31 C ATOM 1116 CG PHE A 848 4.907 -4.759 -8.719 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.237 -4.264 -9.826 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.383 -5.871 -8.070 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.072 -4.857 -10.274 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.220 -6.467 -8.520 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.565 -5.959 -9.621 1.00 0.52 C ATOM 0 H PHE A 848 8.066 -2.533 -7.702 1.00 0.32 H new ATOM 0 HA PHE A 848 5.259 -2.192 -8.252 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.868 -4.021 -9.097 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.666 -4.757 -7.519 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.631 -3.403 -10.346 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.890 -6.273 -7.205 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.559 -4.457 -11.136 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.824 -7.332 -8.008 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.655 -6.424 -9.971 1.00 0.52 H new ATOM 1131 N LEU A 849 4.244 -2.478 -5.982 1.00 0.22 N ATOM 1132 CA LEU A 849 3.686 -2.558 -4.653 1.00 0.18 C ATOM 1133 C LEU A 849 2.348 -3.270 -4.697 1.00 0.17 C ATOM 1134 O LEU A 849 1.591 -3.163 -5.661 1.00 0.19 O ATOM 1135 CB LEU A 849 3.535 -1.162 -4.035 1.00 0.20 C ATOM 1136 CG LEU A 849 3.347 -1.140 -2.517 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.559 -1.739 -1.820 1.00 0.56 C ATOM 1138 CD2 LEU A 849 3.120 0.280 -2.033 1.00 0.55 C ATOM 0 H LEU A 849 3.618 -2.090 -6.687 1.00 0.22 H new ATOM 0 HA LEU A 849 4.370 -3.128 -4.024 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.418 -0.574 -4.284 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.681 -0.667 -4.498 1.00 0.20 H new ATOM 0 HG LEU A 849 2.471 -1.740 -2.272 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.407 -1.715 -0.741 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.692 -2.771 -2.145 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.447 -1.161 -2.074 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.988 0.279 -0.951 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.982 0.895 -2.293 1.00 0.55 H new ATOM 0 HD23 LEU A 849 2.227 0.688 -2.507 1.00 0.55 H new ATOM 1150 N ASN A 850 2.128 -4.083 -3.700 1.00 0.16 N ATOM 1151 CA ASN A 850 0.943 -4.907 -3.608 1.00 0.17 C ATOM 1152 C ASN A 850 0.327 -4.693 -2.251 1.00 0.17 C ATOM 1153 O ASN A 850 1.033 -4.370 -1.304 1.00 0.16 O ATOM 1154 CB ASN A 850 1.291 -6.384 -3.790 1.00 0.19 C ATOM 1155 CG ASN A 850 1.883 -6.689 -5.147 1.00 0.34 C ATOM 1156 OD1 ASN A 850 1.174 -6.750 -6.147 1.00 0.96 O ATOM 1157 ND2 ASN A 850 3.195 -6.857 -5.196 1.00 0.45 N ATOM 0 H ASN A 850 2.771 -4.197 -2.917 1.00 0.16 H new ATOM 0 HA ASN A 850 0.244 -4.628 -4.396 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.998 -6.683 -3.016 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.392 -6.983 -3.649 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.652 -7.045 -6.088 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.749 -6.798 -4.342 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.978 -4.773 -2.155 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.633 -4.502 -0.895 1.00 0.21 C ATOM 1166 C ILE A 851 -2.492 -5.683 -0.527 1.00 0.24 C ATOM 1167 O ILE A 851 -3.327 -6.133 -1.314 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.548 -3.255 -0.938 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.163 -2.295 -2.062 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.518 -2.526 0.392 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.828 -1.600 -1.870 1.00 0.28 C ATOM 0 H ILE A 851 -1.602 -5.020 -2.923 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.844 -4.318 -0.166 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.559 -3.610 -1.136 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.138 -2.848 -3.001 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.941 -1.538 -2.158 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.167 -1.652 0.343 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.867 -3.193 1.180 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.498 -2.209 0.610 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.637 -0.939 -2.715 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.851 -1.016 -0.950 1.00 0.28 H new ATOM 0 HD13 ILE A 851 -0.035 -2.346 -1.807 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.247 -6.212 0.651 1.00 0.30 N ATOM 1184 CA ARG A 852 -2.981 -7.348 1.129 1.00 0.37 C ATOM 1185 C ARG A 852 -4.058 -6.914 2.084 1.00 0.39 C ATOM 1186 O ARG A 852 -3.772 -6.257 3.091 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.082 -8.334 1.844 1.00 0.46 C ATOM 1188 CG ARG A 852 -2.814 -9.572 2.316 1.00 0.60 C ATOM 1189 CD ARG A 852 -1.857 -10.595 2.883 1.00 0.70 C ATOM 1190 NE ARG A 852 -2.558 -11.764 3.411 1.00 1.27 N ATOM 1191 CZ ARG A 852 -1.962 -12.782 4.029 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -0.643 -12.790 4.192 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -2.685 -13.802 4.471 1.00 2.38 N ATOM 0 H ARG A 852 -1.537 -5.865 1.296 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.420 -7.832 0.256 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.274 -8.630 1.176 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.623 -7.842 2.701 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -3.546 -9.297 3.075 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.366 -10.010 1.484 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.160 -10.910 2.106 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.265 -10.138 3.676 1.00 0.70 H new ATOM 0 HE ARG A 852 -3.571 -11.803 3.299 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.081 -12.013 3.843 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.192 -13.573 4.666 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -3.696 -13.806 4.337 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -2.230 -14.582 4.945 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.230 -7.468 1.887 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.275 -7.366 2.868 1.00 0.54 C ATOM 1209 C LEU A 853 -6.594 -8.766 3.346 1.00 0.63 C ATOM 1210 O LEU A 853 -6.382 -9.730 2.605 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.495 -6.669 2.297 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.239 -5.238 1.815 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -8.547 -4.511 1.610 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.365 -4.481 2.803 1.00 1.56 C ATOM 0 H LEU A 853 -5.481 -7.996 1.051 1.00 0.46 H new ATOM 0 HA LEU A 853 -5.948 -6.757 3.711 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -7.877 -7.257 1.463 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.276 -6.649 3.057 1.00 0.71 H new ATOM 0 HG LEU A 853 -6.712 -5.289 0.862 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -8.349 -3.495 1.267 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -9.142 -5.036 0.863 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -9.095 -4.476 2.551 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.197 -3.468 2.438 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -6.862 -4.440 3.772 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -5.408 -4.992 2.908 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.791 -8.899 4.639 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.787 -10.209 5.268 1.00 1.08 C ATOM 1228 C TYR A 854 -7.699 -10.216 6.489 1.00 1.25 C ATOM 1229 O TYR A 854 -8.277 -9.150 6.801 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.338 -10.559 5.657 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.661 -9.464 6.449 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.074 -8.390 5.795 1.00 0.90 C ATOM 1233 CD2 TYR A 854 -4.619 -9.490 7.837 1.00 0.88 C ATOM 1234 CE1 TYR A 854 -3.467 -7.374 6.493 1.00 0.86 C ATOM 1235 CE2 TYR A 854 -4.008 -8.473 8.548 1.00 0.93 C ATOM 1236 CZ TYR A 854 -3.435 -7.419 7.871 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.818 -6.408 8.571 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.850 -11.279 7.122 1.00 1.77 O ATOM 0 H TYR A 854 -6.956 -8.121 5.277 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.167 -10.958 4.573 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.336 -11.478 6.243 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.762 -10.756 4.753 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -4.095 -8.352 4.716 1.00 0.90 H new ATOM 0 HD2 TYR A 854 -5.069 -10.315 8.368 1.00 0.88 H new ATOM 0 HE1 TYR A 854 -3.018 -6.545 5.966 1.00 0.86 H new ATOM 0 HE2 TYR A 854 -3.980 -8.505 9.627 1.00 0.93 H new ATOM 0 HH TYR A 854 -2.830 -5.586 8.038 1.00 0.92 H new TER 1248 TYR A 854