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 835 ASN : amide:sc= -0.419 K(o=-2.9,f=-13!) USER MOD Set 1.2: A 838 LYS NZ :NH3+ 156:sc= -2.53! (180deg=-3.87!) USER MOD Set 2.1: A 819 GLN : amide:sc= -5.16! C(o=-15!,f=-12!) USER MOD Set 2.2: A 850 ASN : amide:sc= -9.61! C(o=-15!,f=-12!) USER MOD Set 3.1: A 814 THR OG1 : rot 6:sc= 1.96 USER MOD Set 3.2: A 815 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0) USER MOD Single : A 778 SER OG : rot -44:sc= 0.711 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.011) USER MOD Single : A 790 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -4.46! K(o=-4.5!,f=-2) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ -168:sc=-0.00598 (180deg=-0.159) USER MOD Single : A 803 SER OG : rot 180:sc= -0.04 USER MOD Single : A 804 ASN : amide:sc= -0.479 K(o=-0.48,f=-2.9!) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= -0.94! C(o=-0.94!,f=-5.3!) USER MOD Single : A 807 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.1) USER MOD Single : A 808 ASN : amide:sc= -2.93! K(o=-2.9!,f=-0.41) USER MOD Single : A 809 ASN : amide:sc= -5.75! C(o=-5.7!,f=-2.6!) USER MOD Single : A 811 SER OG : rot 180:sc= -0.148 USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot 11:sc= 1.14 USER MOD Single : A 840 MET CE :methyl 129:sc= -4.4! (180deg=-5.6!) USER MOD Single : A 844 ASN : amide:sc= -2.2! K(o=-2.2!,f=-0.41) USER MOD Single : A 845 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.99) USER MOD Single : A 847 LYS NZ :NH3+ -153:sc= -0.44! (180deg=-2.74!) USER MOD Single : A 854 TYR OH : rot 100:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -8.911 -11.546 1.794 1.00 2.40 N ATOM 2 CA SER A 778 -7.480 -11.597 1.426 1.00 2.10 C ATOM 3 C SER A 778 -7.305 -11.291 -0.052 1.00 1.16 C ATOM 4 O SER A 778 -6.460 -11.885 -0.723 1.00 1.09 O ATOM 5 CB SER A 778 -6.948 -12.996 1.762 1.00 2.58 C ATOM 6 OG SER A 778 -5.558 -13.108 1.494 1.00 3.17 O ATOM 0 HA SER A 778 -6.919 -10.848 1.985 1.00 2.10 H new ATOM 0 HB2 SER A 778 -7.134 -13.213 2.814 1.00 2.58 H new ATOM 0 HB3 SER A 778 -7.492 -13.741 1.181 1.00 2.58 H new ATOM 0 HG SER A 778 -5.357 -12.692 0.630 1.00 3.17 H new ATOM 14 N GLU A 779 -8.054 -10.312 -0.545 1.00 0.78 N ATOM 15 CA GLU A 779 -7.896 -9.891 -1.921 1.00 0.85 C ATOM 16 C GLU A 779 -6.567 -9.175 -2.079 1.00 0.75 C ATOM 17 O GLU A 779 -6.186 -8.351 -1.241 1.00 1.17 O ATOM 18 CB GLU A 779 -9.050 -8.985 -2.369 1.00 1.60 C ATOM 19 CG GLU A 779 -9.053 -7.609 -1.721 1.00 1.95 C ATOM 20 CD GLU A 779 -10.042 -6.666 -2.372 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.265 -6.863 -2.197 1.00 2.92 O ATOM 22 OE2 GLU A 779 -9.608 -5.742 -3.086 1.00 3.25 O ATOM 0 H GLU A 779 -8.765 -9.805 -0.018 1.00 0.78 H new ATOM 0 HA GLU A 779 -7.912 -10.776 -2.557 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -9.002 -8.864 -3.451 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -9.994 -9.481 -2.145 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -9.294 -7.709 -0.663 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -8.053 -7.180 -1.781 1.00 1.95 H new ATOM 29 N ILE A 780 -5.840 -9.526 -3.119 1.00 0.62 N ATOM 30 CA ILE A 780 -4.572 -8.888 -3.385 1.00 0.43 C ATOM 31 C ILE A 780 -4.808 -7.623 -4.201 1.00 0.37 C ATOM 32 O ILE A 780 -5.645 -7.594 -5.107 1.00 0.49 O ATOM 33 CB ILE A 780 -3.576 -9.830 -4.116 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.219 -9.144 -4.315 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.136 -10.282 -5.458 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.523 -8.772 -3.023 1.00 0.51 C ATOM 0 H ILE A 780 -6.105 -10.247 -3.790 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.116 -8.634 -2.428 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.432 -10.709 -3.488 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.570 -9.805 -4.888 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.363 -8.243 -4.911 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.419 -10.940 -5.948 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.072 -10.818 -5.300 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.319 -9.411 -6.088 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.571 -8.292 -3.248 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.151 -8.085 -2.456 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.345 -9.671 -2.433 1.00 0.51 H new ATOM 48 N PHE A 781 -4.122 -6.572 -3.827 1.00 0.28 N ATOM 49 CA PHE A 781 -4.286 -5.284 -4.459 1.00 0.26 C ATOM 50 C PHE A 781 -2.923 -4.784 -4.891 1.00 0.22 C ATOM 51 O PHE A 781 -1.914 -5.165 -4.309 1.00 0.21 O ATOM 52 CB PHE A 781 -4.964 -4.307 -3.489 1.00 0.29 C ATOM 53 CG PHE A 781 -5.141 -2.920 -4.039 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.627 -2.721 -5.319 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.793 -1.817 -3.283 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.764 -1.446 -5.828 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.922 -0.543 -3.788 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.406 -0.356 -5.061 1.00 0.52 C ATOM 0 H PHE A 781 -3.433 -6.584 -3.075 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.926 -5.368 -5.337 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.941 -4.704 -3.214 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.373 -4.251 -2.575 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.902 -3.572 -5.925 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.414 -1.956 -2.281 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.151 -1.301 -6.826 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.643 0.309 -3.185 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.506 0.642 -5.460 1.00 0.52 H new ATOM 68 N THR A 782 -2.880 -4.099 -6.014 1.00 0.23 N ATOM 69 CA THR A 782 -1.621 -3.732 -6.619 1.00 0.23 C ATOM 70 C THR A 782 -1.592 -2.239 -6.884 1.00 0.23 C ATOM 71 O THR A 782 -2.575 -1.654 -7.345 1.00 0.25 O ATOM 72 CB THR A 782 -1.394 -4.495 -7.944 1.00 0.29 C ATOM 73 OG1 THR A 782 -2.487 -4.265 -8.844 1.00 1.39 O ATOM 74 CG2 THR A 782 -1.260 -5.988 -7.703 1.00 1.34 C ATOM 0 H THR A 782 -3.705 -3.785 -6.526 1.00 0.23 H new ATOM 0 HA THR A 782 -0.823 -4.000 -5.926 1.00 0.23 H new ATOM 0 HB THR A 782 -0.468 -4.123 -8.382 1.00 0.29 H new ATOM 0 HG1 THR A 782 -2.331 -4.752 -9.680 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.101 -6.497 -8.654 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.412 -6.176 -7.045 1.00 1.34 H new ATOM 0 HG23 THR A 782 -2.171 -6.365 -7.237 1.00 1.34 H new ATOM 82 N LEU A 783 -0.521 -1.611 -6.450 1.00 0.22 N ATOM 83 CA LEU A 783 -0.403 -0.172 -6.504 1.00 0.21 C ATOM 84 C LEU A 783 1.059 0.210 -6.673 1.00 0.21 C ATOM 85 O LEU A 783 1.945 -0.478 -6.177 1.00 0.23 O ATOM 86 CB LEU A 783 -0.971 0.441 -5.217 1.00 0.26 C ATOM 87 CG LEU A 783 -1.225 1.949 -5.253 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.334 2.283 -6.237 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.577 2.453 -3.864 1.00 0.61 C ATOM 0 H LEU A 783 0.290 -2.083 -6.051 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.969 0.211 -7.353 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.910 -0.061 -4.982 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.282 0.227 -4.400 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.314 2.446 -5.586 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.499 3.360 -6.247 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -2.048 1.950 -7.235 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -3.252 1.778 -5.936 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.756 3.528 -3.901 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.476 1.948 -3.511 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.752 2.246 -3.182 1.00 0.61 H new ATOM 101 N LEU A 784 1.319 1.275 -7.395 1.00 0.20 N ATOM 102 CA LEU A 784 2.681 1.717 -7.609 1.00 0.22 C ATOM 103 C LEU A 784 2.783 3.184 -7.238 1.00 0.21 C ATOM 104 O LEU A 784 1.968 3.999 -7.673 1.00 0.23 O ATOM 105 CB LEU A 784 3.094 1.478 -9.068 1.00 0.29 C ATOM 106 CG LEU A 784 4.579 1.688 -9.382 1.00 0.91 C ATOM 107 CD1 LEU A 784 5.007 0.779 -10.520 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.858 3.139 -9.745 1.00 1.45 C ATOM 0 H LEU A 784 0.608 1.852 -7.844 1.00 0.20 H new ATOM 0 HA LEU A 784 3.363 1.146 -6.979 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.825 0.457 -9.340 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.510 2.142 -9.705 1.00 0.29 H new ATOM 0 HG LEU A 784 5.153 1.440 -8.489 1.00 0.91 H new ATOM 0 HD11 LEU A 784 6.064 0.937 -10.734 1.00 1.53 H new ATOM 0 HD12 LEU A 784 4.846 -0.261 -10.235 1.00 1.53 H new ATOM 0 HD13 LEU A 784 4.419 1.007 -11.409 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.919 3.262 -9.963 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.273 3.414 -10.623 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.583 3.783 -8.909 1.00 1.45 H new ATOM 120 N VAL A 785 3.670 3.480 -6.300 1.00 0.22 N ATOM 121 CA VAL A 785 3.769 4.818 -5.750 1.00 0.25 C ATOM 122 C VAL A 785 4.299 5.786 -6.809 1.00 0.34 C ATOM 123 O VAL A 785 5.272 5.490 -7.505 1.00 0.79 O ATOM 124 CB VAL A 785 4.640 4.844 -4.461 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.284 3.671 -3.565 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.129 4.844 -4.772 1.00 1.10 C ATOM 0 H VAL A 785 4.330 2.810 -5.906 1.00 0.22 H new ATOM 0 HA VAL A 785 2.770 5.144 -5.460 1.00 0.25 H new ATOM 0 HB VAL A 785 4.422 5.775 -3.938 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.900 3.700 -2.666 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.232 3.732 -3.286 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.464 2.738 -4.099 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.695 4.863 -3.841 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.383 3.945 -5.334 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.377 5.724 -5.365 1.00 1.10 H new ATOM 136 N GLU A 786 3.533 6.838 -7.062 1.00 0.69 N ATOM 137 CA GLU A 786 3.828 7.756 -8.157 1.00 0.81 C ATOM 138 C GLU A 786 5.168 8.448 -7.959 1.00 0.87 C ATOM 139 O GLU A 786 5.903 8.680 -8.918 1.00 1.56 O ATOM 140 CB GLU A 786 2.723 8.803 -8.295 1.00 0.99 C ATOM 141 CG GLU A 786 1.391 8.239 -8.767 1.00 1.51 C ATOM 142 CD GLU A 786 1.484 7.542 -10.111 1.00 2.26 C ATOM 143 OE1 GLU A 786 2.182 8.062 -11.006 1.00 2.59 O ATOM 144 OE2 GLU A 786 0.893 6.451 -10.271 1.00 3.06 O ATOM 0 H GLU A 786 2.701 7.079 -6.524 1.00 0.69 H new ATOM 0 HA GLU A 786 3.879 7.165 -9.071 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.578 9.292 -7.332 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.050 9.571 -8.996 1.00 0.99 H new ATOM 0 HG2 GLU A 786 1.018 7.534 -8.024 1.00 1.51 H new ATOM 0 HG3 GLU A 786 0.663 9.048 -8.833 1.00 1.51 H new ATOM 151 N LYS A 787 5.486 8.778 -6.716 1.00 0.91 N ATOM 152 CA LYS A 787 6.744 9.444 -6.413 1.00 1.01 C ATOM 153 C LYS A 787 7.217 9.133 -4.995 1.00 0.96 C ATOM 154 O LYS A 787 8.314 8.614 -4.808 1.00 1.58 O ATOM 155 CB LYS A 787 6.634 10.968 -6.635 1.00 1.17 C ATOM 156 CG LYS A 787 5.208 11.524 -6.646 1.00 1.21 C ATOM 157 CD LYS A 787 4.607 11.605 -5.251 1.00 1.35 C ATOM 158 CE LYS A 787 3.146 12.034 -5.286 1.00 1.27 C ATOM 159 NZ LYS A 787 2.969 13.424 -5.783 1.00 1.80 N ATOM 0 H LYS A 787 4.894 8.597 -5.905 1.00 0.91 H new ATOM 0 HA LYS A 787 7.493 9.054 -7.103 1.00 1.01 H new ATOM 0 HB2 LYS A 787 7.198 11.475 -5.852 1.00 1.17 H new ATOM 0 HB3 LYS A 787 7.111 11.216 -7.583 1.00 1.17 H new ATOM 0 HG2 LYS A 787 5.211 12.517 -7.095 1.00 1.21 H new ATOM 0 HG3 LYS A 787 4.579 10.892 -7.274 1.00 1.21 H new ATOM 0 HD2 LYS A 787 4.688 10.633 -4.764 1.00 1.35 H new ATOM 0 HD3 LYS A 787 5.179 12.312 -4.650 1.00 1.35 H new ATOM 0 HE2 LYS A 787 2.586 11.350 -5.924 1.00 1.27 H new ATOM 0 HE3 LYS A 787 2.724 11.954 -4.284 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 1.961 13.677 -5.755 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 3.507 14.079 -5.181 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 3.315 13.489 -6.762 1.00 1.80 H new ATOM 173 N VAL A 788 6.367 9.398 -4.007 1.00 0.66 N ATOM 174 CA VAL A 788 6.706 9.151 -2.606 1.00 0.61 C ATOM 175 C VAL A 788 5.456 8.797 -1.800 1.00 0.70 C ATOM 176 O VAL A 788 5.334 7.674 -1.317 1.00 1.70 O ATOM 177 CB VAL A 788 7.402 10.381 -1.958 1.00 0.70 C ATOM 178 CG1 VAL A 788 7.498 10.236 -0.446 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.790 10.589 -2.543 1.00 1.21 C ATOM 0 H VAL A 788 5.434 9.785 -4.150 1.00 0.66 H new ATOM 0 HA VAL A 788 7.400 8.311 -2.590 1.00 0.61 H new ATOM 0 HB VAL A 788 6.787 11.253 -2.181 1.00 0.70 H new ATOM 0 HG11 VAL A 788 7.990 11.114 -0.027 1.00 0.87 H new ATOM 0 HG12 VAL A 788 6.497 10.145 -0.025 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.076 9.345 -0.202 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.257 11.455 -2.074 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.399 9.704 -2.358 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.711 10.757 -3.617 1.00 1.21 H new ATOM 189 N TRP A 789 4.547 9.773 -1.656 1.00 0.50 N ATOM 190 CA TRP A 789 3.321 9.619 -0.861 1.00 0.33 C ATOM 191 C TRP A 789 3.633 9.660 0.636 1.00 0.29 C ATOM 192 O TRP A 789 4.458 8.893 1.127 1.00 0.34 O ATOM 193 CB TRP A 789 2.591 8.312 -1.201 1.00 0.32 C ATOM 194 CG TRP A 789 1.987 8.280 -2.569 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.805 9.331 -3.419 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.493 7.124 -3.253 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.200 8.903 -4.573 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.002 7.552 -4.495 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.414 5.769 -2.930 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.432 6.676 -5.410 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.853 4.899 -3.841 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.368 5.356 -5.068 1.00 0.44 C ATOM 0 H TRP A 789 4.642 10.692 -2.088 1.00 0.50 H new ATOM 0 HA TRP A 789 2.668 10.455 -1.112 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.293 7.483 -1.107 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.804 8.148 -0.465 1.00 0.32 H new ATOM 0 HD1 TRP A 789 2.095 10.351 -3.213 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.940 9.496 -5.361 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.786 5.408 -1.983 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.053 7.027 -6.358 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.788 3.848 -3.602 1.00 0.40 H new ATOM 0 HH2 TRP A 789 -0.067 4.651 -5.761 1.00 0.44 H new ATOM 213 N ASN A 790 2.927 10.516 1.368 1.00 0.29 N ATOM 214 CA ASN A 790 3.109 10.612 2.819 1.00 0.32 C ATOM 215 C ASN A 790 2.566 9.372 3.495 1.00 0.37 C ATOM 216 O ASN A 790 3.214 8.765 4.346 1.00 0.82 O ATOM 217 CB ASN A 790 2.402 11.851 3.376 1.00 0.39 C ATOM 218 CG ASN A 790 2.573 11.988 4.880 1.00 1.20 C ATOM 219 OD1 ASN A 790 3.677 12.216 5.367 1.00 2.06 O ATOM 220 ND2 ASN A 790 1.486 11.854 5.628 1.00 1.79 N ATOM 0 H ASN A 790 2.226 11.152 0.986 1.00 0.29 H new ATOM 0 HA ASN A 790 4.176 10.698 3.022 1.00 0.32 H new ATOM 0 HB2 ASN A 790 2.795 12.742 2.886 1.00 0.39 H new ATOM 0 HB3 ASN A 790 1.340 11.798 3.137 1.00 0.39 H new ATOM 0 HD21 ASN A 790 1.551 11.940 6.642 1.00 1.79 H new ATOM 0 HD22 ASN A 790 0.585 11.665 5.189 1.00 1.79 H new ATOM 227 N PHE A 791 1.381 9.017 3.046 1.00 0.30 N ATOM 228 CA PHE A 791 0.637 7.832 3.484 1.00 0.25 C ATOM 229 C PHE A 791 -0.819 8.025 3.119 1.00 0.23 C ATOM 230 O PHE A 791 -1.445 7.145 2.543 1.00 0.21 O ATOM 231 CB PHE A 791 0.758 7.574 4.990 1.00 0.28 C ATOM 232 CG PHE A 791 -0.014 6.374 5.469 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.208 5.125 4.913 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.967 6.498 6.467 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.506 4.022 5.344 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.684 5.400 6.899 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.428 4.156 6.368 1.00 0.42 C ATOM 0 H PHE A 791 0.882 9.559 2.340 1.00 0.30 H new ATOM 0 HA PHE A 791 1.063 6.963 2.983 1.00 0.25 H new ATOM 0 HB2 PHE A 791 1.810 7.441 5.242 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.410 8.456 5.528 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.947 5.011 4.134 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -1.151 7.465 6.912 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.345 3.059 4.883 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.447 5.517 7.655 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.945 3.287 6.749 1.00 0.42 H new ATOM 247 N ASP A 792 -1.315 9.233 3.373 1.00 0.26 N ATOM 248 CA ASP A 792 -2.673 9.610 2.999 1.00 0.29 C ATOM 249 C ASP A 792 -2.840 9.477 1.496 1.00 0.25 C ATOM 250 O ASP A 792 -3.828 8.936 1.013 1.00 0.26 O ATOM 251 CB ASP A 792 -2.978 11.054 3.417 1.00 0.38 C ATOM 252 CG ASP A 792 -2.626 11.344 4.860 1.00 1.13 C ATOM 253 OD1 ASP A 792 -1.419 11.427 5.177 1.00 1.74 O ATOM 254 OD2 ASP A 792 -3.560 11.490 5.685 1.00 1.86 O ATOM 0 H ASP A 792 -0.791 9.973 3.840 1.00 0.26 H new ATOM 0 HA ASP A 792 -3.368 8.946 3.513 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -2.426 11.737 2.771 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -4.038 11.254 3.261 1.00 0.38 H new ATOM 259 N ASP A 793 -1.814 9.914 0.777 1.00 0.24 N ATOM 260 CA ASP A 793 -1.767 9.814 -0.679 1.00 0.23 C ATOM 261 C ASP A 793 -1.913 8.362 -1.105 1.00 0.19 C ATOM 262 O ASP A 793 -2.719 8.021 -1.974 1.00 0.18 O ATOM 263 CB ASP A 793 -0.424 10.347 -1.193 1.00 0.28 C ATOM 264 CG ASP A 793 -0.016 11.654 -0.550 1.00 0.75 C ATOM 265 OD1 ASP A 793 0.446 11.626 0.613 1.00 1.36 O ATOM 266 OD2 ASP A 793 -0.152 12.714 -1.196 1.00 1.16 O ATOM 0 H ASP A 793 -0.988 10.349 1.187 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.584 10.403 -1.096 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.350 9.602 -1.009 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.484 10.484 -2.273 1.00 0.28 H new ATOM 271 N LEU A 794 -1.154 7.514 -0.428 1.00 0.18 N ATOM 272 CA LEU A 794 -1.160 6.082 -0.656 1.00 0.17 C ATOM 273 C LEU A 794 -2.522 5.474 -0.311 1.00 0.16 C ATOM 274 O LEU A 794 -3.103 4.751 -1.119 1.00 0.16 O ATOM 275 CB LEU A 794 -0.017 5.468 0.169 1.00 0.19 C ATOM 276 CG LEU A 794 -0.183 4.014 0.612 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.148 3.073 -0.583 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.897 3.639 1.615 1.00 0.22 C ATOM 0 H LEU A 794 -0.508 7.808 0.305 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.997 5.863 -1.711 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.900 5.541 -0.416 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.124 6.080 1.060 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.156 3.915 1.093 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.268 2.045 -0.240 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -0.958 3.324 -1.268 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.807 3.174 -1.098 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.765 2.601 1.921 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.878 3.760 1.156 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.823 4.287 2.489 1.00 0.22 H new ATOM 290 N ILE A 795 -3.065 5.847 0.843 1.00 0.18 N ATOM 291 CA ILE A 795 -4.385 5.382 1.264 1.00 0.20 C ATOM 292 C ILE A 795 -5.467 5.814 0.275 1.00 0.19 C ATOM 293 O ILE A 795 -6.333 5.021 -0.091 1.00 0.20 O ATOM 294 CB ILE A 795 -4.742 5.900 2.678 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.817 5.272 3.723 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.199 5.610 3.017 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.898 3.759 3.779 1.00 0.48 C ATOM 0 H ILE A 795 -2.610 6.473 1.507 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.344 4.293 1.289 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.602 6.981 2.688 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.789 5.564 3.508 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.065 5.677 4.704 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.422 5.985 4.016 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.846 6.103 2.292 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.373 4.534 2.986 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.215 3.386 4.542 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.916 3.458 4.025 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.621 3.344 2.810 1.00 0.48 H new ATOM 309 N MET A 796 -5.404 7.068 -0.162 1.00 0.22 N ATOM 310 CA MET A 796 -6.382 7.600 -1.107 1.00 0.26 C ATOM 311 C MET A 796 -6.315 6.871 -2.443 1.00 0.22 C ATOM 312 O MET A 796 -7.346 6.510 -3.004 1.00 0.23 O ATOM 313 CB MET A 796 -6.185 9.103 -1.319 1.00 0.38 C ATOM 314 CG MET A 796 -6.551 9.939 -0.104 1.00 0.93 C ATOM 315 SD MET A 796 -8.254 9.674 0.427 1.00 2.03 S ATOM 316 CE MET A 796 -8.317 10.733 1.869 1.00 2.69 C ATOM 0 H MET A 796 -4.687 7.735 0.123 1.00 0.22 H new ATOM 0 HA MET A 796 -7.369 7.437 -0.675 1.00 0.26 H new ATOM 0 HB2 MET A 796 -5.144 9.292 -1.580 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.789 9.425 -2.167 1.00 0.38 H new ATOM 0 HG2 MET A 796 -5.876 9.697 0.717 1.00 0.93 H new ATOM 0 HG3 MET A 796 -6.406 10.994 -0.336 1.00 0.93 H new ATOM 0 HE1 MET A 796 -9.310 10.681 2.315 1.00 2.69 H new ATOM 0 HE2 MET A 796 -7.575 10.403 2.596 1.00 2.69 H new ATOM 0 HE3 MET A 796 -8.105 11.761 1.575 1.00 2.69 H new ATOM 326 N ALA A 797 -5.102 6.600 -2.915 1.00 0.21 N ATOM 327 CA ALA A 797 -4.916 5.848 -4.150 1.00 0.22 C ATOM 328 C ALA A 797 -5.480 4.437 -3.996 1.00 0.21 C ATOM 329 O ALA A 797 -6.275 3.973 -4.828 1.00 0.26 O ATOM 330 CB ALA A 797 -3.441 5.807 -4.527 1.00 0.27 C ATOM 0 H ALA A 797 -4.235 6.889 -2.462 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.457 6.347 -4.954 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.317 5.242 -5.451 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.074 6.823 -4.671 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.875 5.326 -3.729 1.00 0.27 H new ATOM 336 N ILE A 798 -5.160 3.814 -2.862 1.00 0.20 N ATOM 337 CA ILE A 798 -5.699 2.505 -2.518 1.00 0.26 C ATOM 338 C ILE A 798 -7.223 2.540 -2.499 1.00 0.27 C ATOM 339 O ILE A 798 -7.883 1.739 -3.155 1.00 0.33 O ATOM 340 CB ILE A 798 -5.194 2.033 -1.131 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.693 1.759 -1.161 1.00 0.32 C ATOM 342 CG2 ILE A 798 -5.935 0.785 -0.686 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.131 1.334 0.180 1.00 0.67 C ATOM 0 H ILE A 798 -4.525 4.201 -2.164 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.354 1.805 -3.279 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.389 2.833 -0.417 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.488 0.980 -1.896 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.174 2.657 -1.496 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.565 0.471 0.290 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.001 1.000 -0.618 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.771 -0.013 -1.410 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.060 1.156 0.086 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.305 2.121 0.913 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.624 0.418 0.507 1.00 0.67 H new ATOM 355 N ASN A 799 -7.771 3.487 -1.750 1.00 0.27 N ATOM 356 CA ASN A 799 -9.213 3.628 -1.613 1.00 0.33 C ATOM 357 C ASN A 799 -9.882 3.922 -2.946 1.00 0.31 C ATOM 358 O ASN A 799 -10.970 3.424 -3.211 1.00 0.40 O ATOM 359 CB ASN A 799 -9.555 4.722 -0.601 1.00 0.40 C ATOM 360 CG ASN A 799 -9.598 4.208 0.826 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.791 4.975 1.769 1.00 1.21 O ATOM 362 ND2 ASN A 799 -9.447 2.904 0.997 1.00 0.70 N ATOM 0 H ASN A 799 -7.232 4.175 -1.224 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.597 2.675 -1.250 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.817 5.521 -0.673 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.522 5.157 -0.855 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.489 2.504 1.934 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.289 2.299 0.191 1.00 0.70 H new ATOM 369 N SER A 800 -9.224 4.712 -3.782 1.00 0.30 N ATOM 370 CA SER A 800 -9.756 5.052 -5.095 1.00 0.35 C ATOM 371 C SER A 800 -9.994 3.790 -5.921 1.00 0.33 C ATOM 372 O SER A 800 -11.094 3.564 -6.427 1.00 0.41 O ATOM 373 CB SER A 800 -8.792 5.997 -5.822 1.00 0.44 C ATOM 374 OG SER A 800 -9.306 6.391 -7.083 1.00 1.29 O ATOM 0 H SER A 800 -8.318 5.131 -3.574 1.00 0.30 H new ATOM 0 HA SER A 800 -10.713 5.558 -4.965 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.614 6.880 -5.208 1.00 0.44 H new ATOM 0 HB3 SER A 800 -7.830 5.504 -5.958 1.00 0.44 H new ATOM 0 HG SER A 800 -8.670 6.994 -7.521 1.00 1.29 H new ATOM 380 N LYS A 801 -8.972 2.949 -6.024 1.00 0.29 N ATOM 381 CA LYS A 801 -9.102 1.694 -6.758 1.00 0.36 C ATOM 382 C LYS A 801 -10.027 0.708 -6.041 1.00 0.43 C ATOM 383 O LYS A 801 -10.803 -0.002 -6.680 1.00 0.58 O ATOM 384 CB LYS A 801 -7.738 1.065 -6.995 1.00 0.43 C ATOM 385 CG LYS A 801 -6.870 1.848 -7.964 1.00 0.86 C ATOM 386 CD LYS A 801 -5.572 1.116 -8.256 1.00 1.06 C ATOM 387 CE LYS A 801 -4.739 1.846 -9.294 1.00 1.13 C ATOM 388 NZ LYS A 801 -5.390 1.853 -10.630 1.00 1.95 N ATOM 0 H LYS A 801 -8.052 3.110 -5.613 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.553 1.928 -7.722 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.217 0.977 -6.042 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.875 0.054 -7.378 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.415 2.011 -8.894 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.650 2.831 -7.547 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.998 1.012 -7.336 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.793 0.109 -8.609 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -4.572 2.872 -8.967 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -3.760 1.373 -9.371 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.709 2.176 -11.346 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.710 0.892 -10.865 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -6.207 2.496 -10.615 1.00 1.95 H new ATOM 402 N ILE A 802 -9.942 0.657 -4.714 1.00 0.39 N ATOM 403 CA ILE A 802 -10.781 -0.253 -3.941 1.00 0.52 C ATOM 404 C ILE A 802 -12.257 0.124 -4.070 1.00 0.70 C ATOM 405 O ILE A 802 -13.102 -0.740 -4.274 1.00 1.56 O ATOM 406 CB ILE A 802 -10.368 -0.304 -2.448 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.994 -0.967 -2.305 1.00 0.64 C ATOM 408 CG2 ILE A 802 -11.398 -1.063 -1.626 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.606 -1.270 -0.873 1.00 0.71 C ATOM 0 H ILE A 802 -9.307 1.229 -4.157 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.633 -1.250 -4.357 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.314 0.718 -2.073 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.988 -1.895 -2.877 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.239 -0.316 -2.746 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -11.086 -1.085 -0.582 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -12.365 -0.566 -1.705 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.483 -2.083 -2.001 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.622 -1.738 -0.854 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.578 -0.343 -0.300 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -9.338 -1.947 -0.433 1.00 0.71 H new ATOM 421 N SER A 803 -12.547 1.418 -4.042 1.00 1.05 N ATOM 422 CA SER A 803 -13.911 1.913 -4.224 1.00 1.14 C ATOM 423 C SER A 803 -14.387 1.648 -5.649 1.00 1.66 C ATOM 424 O SER A 803 -15.570 1.417 -5.891 1.00 2.28 O ATOM 425 CB SER A 803 -13.976 3.408 -3.923 1.00 2.03 C ATOM 426 OG SER A 803 -15.314 3.862 -3.815 1.00 2.88 O ATOM 0 H SER A 803 -11.853 2.151 -3.894 1.00 1.05 H new ATOM 0 HA SER A 803 -14.565 1.384 -3.531 1.00 1.14 H new ATOM 0 HB2 SER A 803 -13.445 3.616 -2.994 1.00 2.03 H new ATOM 0 HB3 SER A 803 -13.466 3.961 -4.712 1.00 2.03 H new ATOM 0 HG SER A 803 -15.319 4.822 -3.620 1.00 2.88 H new ATOM 432 N ASN A 804 -13.441 1.651 -6.579 1.00 2.33 N ATOM 433 CA ASN A 804 -13.718 1.356 -7.978 1.00 3.40 C ATOM 434 C ASN A 804 -14.343 -0.022 -8.107 1.00 3.88 C ATOM 435 O ASN A 804 -15.395 -0.192 -8.719 1.00 4.66 O ATOM 436 CB ASN A 804 -12.411 1.398 -8.770 1.00 4.12 C ATOM 437 CG ASN A 804 -12.570 1.093 -10.247 1.00 4.56 C ATOM 438 OD1 ASN A 804 -13.085 0.049 -10.645 1.00 5.02 O ATOM 439 ND2 ASN A 804 -12.071 1.990 -11.065 1.00 4.87 N ATOM 0 H ASN A 804 -12.461 1.858 -6.385 1.00 2.33 H new ATOM 0 HA ASN A 804 -14.413 2.099 -8.370 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -11.964 2.386 -8.660 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -11.713 0.683 -8.336 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -12.102 1.834 -12.073 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -11.653 2.843 -10.693 1.00 4.87 H new ATOM 446 N THR A 805 -13.646 -1.006 -7.573 1.00 3.74 N ATOM 447 CA THR A 805 -14.064 -2.387 -7.686 1.00 4.53 C ATOM 448 C THR A 805 -15.136 -2.725 -6.637 1.00 4.65 C ATOM 449 O THR A 805 -16.101 -3.435 -6.927 1.00 5.32 O ATOM 450 CB THR A 805 -12.834 -3.316 -7.584 1.00 4.91 C ATOM 451 OG1 THR A 805 -13.171 -4.655 -7.971 1.00 5.49 O ATOM 452 CG2 THR A 805 -12.244 -3.323 -6.183 1.00 4.80 C ATOM 0 H THR A 805 -12.780 -0.871 -7.052 1.00 3.74 H new ATOM 0 HA THR A 805 -14.522 -2.544 -8.662 1.00 4.53 H new ATOM 0 HB THR A 805 -12.083 -2.922 -8.268 1.00 4.91 H new ATOM 0 HG1 THR A 805 -12.377 -5.226 -7.900 1.00 5.49 H new ATOM 0 HG21 THR A 805 -11.381 -3.989 -6.155 1.00 4.80 H new ATOM 0 HG22 THR A 805 -11.932 -2.314 -5.914 1.00 4.80 H new ATOM 0 HG23 THR A 805 -12.995 -3.672 -5.474 1.00 4.80 H new ATOM 460 N HIS A 806 -15.043 -2.084 -5.477 1.00 4.26 N ATOM 461 CA HIS A 806 -16.077 -2.184 -4.452 1.00 4.59 C ATOM 462 C HIS A 806 -16.972 -0.945 -4.504 1.00 4.36 C ATOM 463 O HIS A 806 -17.511 -0.615 -5.561 1.00 4.80 O ATOM 464 CB HIS A 806 -15.457 -2.332 -3.054 1.00 5.01 C ATOM 465 CG HIS A 806 -14.746 -3.631 -2.830 1.00 5.39 C ATOM 466 ND1 HIS A 806 -15.368 -4.858 -2.920 1.00 5.99 N ATOM 467 CD2 HIS A 806 -13.460 -3.889 -2.500 1.00 5.63 C ATOM 468 CE1 HIS A 806 -14.495 -5.812 -2.656 1.00 6.49 C ATOM 469 NE2 HIS A 806 -13.333 -5.249 -2.400 1.00 6.32 N ATOM 0 H HIS A 806 -14.257 -1.486 -5.222 1.00 4.26 H new ATOM 0 HA HIS A 806 -16.676 -3.073 -4.649 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -14.755 -1.514 -2.892 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -16.244 -2.229 -2.307 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -12.679 -3.159 -2.344 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -14.699 -6.873 -2.651 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -12.474 -5.747 -2.165 1.00 6.32 H new ATOM 478 N ASN A 807 -17.061 -0.226 -3.385 1.00 4.08 N ATOM 479 CA ASN A 807 -17.807 1.017 -3.311 1.00 4.33 C ATOM 480 C ASN A 807 -17.538 1.676 -1.968 1.00 3.86 C ATOM 481 O ASN A 807 -17.407 0.985 -0.957 1.00 4.10 O ATOM 482 CB ASN A 807 -19.317 0.791 -3.510 1.00 4.87 C ATOM 483 CG ASN A 807 -19.927 -0.196 -2.529 1.00 5.24 C ATOM 484 OD1 ASN A 807 -19.950 0.030 -1.321 1.00 5.49 O ATOM 485 ND2 ASN A 807 -20.450 -1.294 -3.047 1.00 5.72 N ATOM 0 H ASN A 807 -16.616 -0.494 -2.507 1.00 4.08 H new ATOM 0 HA ASN A 807 -17.475 1.670 -4.118 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -19.833 1.747 -3.417 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -19.490 0.433 -4.525 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -20.890 -1.985 -2.439 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -20.414 -1.450 -4.054 1.00 5.72 H new ATOM 492 N ASN A 808 -17.372 2.996 -1.989 1.00 3.63 N ATOM 493 CA ASN A 808 -17.081 3.793 -0.790 1.00 3.49 C ATOM 494 C ASN A 808 -15.652 3.552 -0.315 1.00 2.65 C ATOM 495 O ASN A 808 -15.178 2.416 -0.277 1.00 3.08 O ATOM 496 CB ASN A 808 -18.065 3.487 0.359 1.00 4.33 C ATOM 497 CG ASN A 808 -19.535 3.570 -0.039 1.00 4.99 C ATOM 498 OD1 ASN A 808 -20.424 3.316 0.776 1.00 5.77 O ATOM 499 ND2 ASN A 808 -19.806 3.921 -1.285 1.00 5.03 N ATOM 0 H ASN A 808 -17.435 3.551 -2.842 1.00 3.63 H new ATOM 0 HA ASN A 808 -17.199 4.840 -1.069 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -17.860 2.487 0.742 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -17.881 4.185 1.176 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -20.775 3.988 -1.597 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -19.046 4.125 -1.934 1.00 5.03 H new ATOM 506 N ASN A 809 -14.954 4.622 0.033 1.00 1.96 N ATOM 507 CA ASN A 809 -13.585 4.500 0.517 1.00 1.56 C ATOM 508 C ASN A 809 -13.584 3.998 1.957 1.00 1.72 C ATOM 509 O ASN A 809 -13.270 2.835 2.215 1.00 2.42 O ATOM 510 CB ASN A 809 -12.833 5.839 0.447 1.00 1.91 C ATOM 511 CG ASN A 809 -12.597 6.353 -0.966 1.00 2.28 C ATOM 512 OD1 ASN A 809 -11.937 7.375 -1.159 1.00 3.06 O ATOM 513 ND2 ASN A 809 -13.121 5.659 -1.957 1.00 2.55 N ATOM 0 H ASN A 809 -15.308 5.578 -0.009 1.00 1.96 H new ATOM 0 HA ASN A 809 -13.072 3.787 -0.129 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -13.396 6.588 1.004 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -11.870 5.728 0.946 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -12.985 5.964 -2.921 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -13.662 4.817 -1.760 1.00 2.55 H new ATOM 520 N ILE A 810 -13.967 4.892 2.874 1.00 1.83 N ATOM 521 CA ILE A 810 -14.047 4.616 4.311 1.00 2.18 C ATOM 522 C ILE A 810 -12.661 4.429 4.914 1.00 1.94 C ATOM 523 O ILE A 810 -12.223 5.209 5.763 1.00 2.25 O ATOM 524 CB ILE A 810 -14.901 3.359 4.608 1.00 2.63 C ATOM 525 CG1 ILE A 810 -16.340 3.556 4.121 1.00 3.05 C ATOM 526 CG2 ILE A 810 -14.885 3.026 6.096 1.00 3.04 C ATOM 527 CD1 ILE A 810 -17.076 4.683 4.817 1.00 3.44 C ATOM 0 H ILE A 810 -14.235 5.846 2.633 1.00 1.83 H new ATOM 0 HA ILE A 810 -14.526 5.482 4.767 1.00 2.18 H new ATOM 0 HB ILE A 810 -14.463 2.520 4.067 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -16.326 3.752 3.049 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -16.893 2.628 4.269 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -15.492 2.139 6.277 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -13.860 2.835 6.415 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -15.291 3.865 6.661 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -18.087 4.759 4.417 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -17.123 4.481 5.887 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -16.548 5.621 4.648 1.00 3.44 H new ATOM 539 N SER A 811 -11.990 3.407 4.418 1.00 1.61 N ATOM 540 CA SER A 811 -10.651 3.010 4.842 1.00 1.34 C ATOM 541 C SER A 811 -10.381 1.604 4.320 1.00 1.12 C ATOM 542 O SER A 811 -11.301 0.790 4.240 1.00 1.24 O ATOM 543 CB SER A 811 -10.511 3.032 6.373 1.00 1.36 C ATOM 544 OG SER A 811 -11.549 2.289 6.999 1.00 1.89 O ATOM 0 H SER A 811 -12.370 2.808 3.685 1.00 1.61 H new ATOM 0 HA SER A 811 -9.928 3.719 4.438 1.00 1.34 H new ATOM 0 HB2 SER A 811 -9.543 2.619 6.657 1.00 1.36 H new ATOM 0 HB3 SER A 811 -10.534 4.063 6.727 1.00 1.36 H new ATOM 0 HG SER A 811 -11.433 2.320 7.972 1.00 1.89 H new ATOM 550 N PRO A 812 -9.134 1.286 3.940 1.00 0.88 N ATOM 551 CA PRO A 812 -8.780 -0.039 3.435 1.00 0.80 C ATOM 552 C PRO A 812 -8.672 -1.065 4.565 1.00 0.77 C ATOM 553 O PRO A 812 -7.640 -1.709 4.730 1.00 0.82 O ATOM 554 CB PRO A 812 -7.415 0.174 2.753 1.00 0.77 C ATOM 555 CG PRO A 812 -7.112 1.637 2.869 1.00 0.75 C ATOM 556 CD PRO A 812 -7.969 2.173 3.979 1.00 0.82 C ATOM 0 HA PRO A 812 -9.536 -0.435 2.757 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.641 -0.423 3.236 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.450 -0.134 1.708 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.056 1.797 3.085 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.327 2.151 1.932 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.459 2.130 4.941 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.246 3.214 3.811 1.00 0.82 H new ATOM 564 N ILE A 813 -9.715 -1.128 5.399 1.00 0.87 N ATOM 565 CA ILE A 813 -9.762 -2.013 6.572 1.00 0.96 C ATOM 566 C ILE A 813 -8.765 -1.559 7.654 1.00 0.96 C ATOM 567 O ILE A 813 -8.752 -2.099 8.754 1.00 1.64 O ATOM 568 CB ILE A 813 -9.495 -3.496 6.191 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.351 -3.911 4.987 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.779 -4.425 7.365 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.844 -3.802 5.226 1.00 1.67 C ATOM 0 H ILE A 813 -10.556 -0.564 5.280 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.772 -1.945 6.976 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.441 -3.581 5.925 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.084 -3.289 4.133 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -10.110 -4.940 4.720 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.583 -5.456 7.069 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -9.135 -4.160 8.203 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.822 -4.325 7.664 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.380 -4.113 4.329 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -12.127 -4.446 6.059 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -12.100 -2.769 5.462 1.00 1.67 H new ATOM 583 N THR A 814 -7.904 -0.599 7.290 1.00 0.83 N ATOM 584 CA THR A 814 -6.826 -0.049 8.135 1.00 0.84 C ATOM 585 C THR A 814 -5.726 -1.075 8.425 1.00 0.71 C ATOM 586 O THR A 814 -4.546 -0.729 8.444 1.00 1.08 O ATOM 587 CB THR A 814 -7.318 0.609 9.457 1.00 1.10 C ATOM 588 OG1 THR A 814 -8.009 -0.322 10.290 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.224 1.793 9.166 1.00 1.90 C ATOM 0 H THR A 814 -7.937 -0.166 6.367 1.00 0.83 H new ATOM 0 HA THR A 814 -6.401 0.753 7.532 1.00 0.84 H new ATOM 0 HB THR A 814 -6.430 0.952 9.988 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.949 -1.218 9.899 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.556 2.237 10.105 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.676 2.536 8.587 1.00 1.90 H new ATOM 0 HG23 THR A 814 -9.091 1.457 8.598 1.00 1.90 H new ATOM 597 N LYS A 815 -6.102 -2.341 8.535 1.00 0.61 N ATOM 598 CA LYS A 815 -5.143 -3.428 8.719 1.00 0.82 C ATOM 599 C LYS A 815 -4.493 -3.806 7.389 1.00 0.88 C ATOM 600 O LYS A 815 -4.573 -4.954 6.951 1.00 1.68 O ATOM 601 CB LYS A 815 -5.826 -4.660 9.323 1.00 1.16 C ATOM 602 CG LYS A 815 -5.988 -4.619 10.838 1.00 1.29 C ATOM 603 CD LYS A 815 -6.968 -3.548 11.286 1.00 1.45 C ATOM 604 CE LYS A 815 -6.262 -2.427 12.034 1.00 1.74 C ATOM 605 NZ LYS A 815 -7.228 -1.468 12.632 1.00 2.52 N ATOM 0 H LYS A 815 -7.075 -2.646 8.500 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.372 -3.078 9.405 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.810 -4.772 8.869 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.249 -5.546 9.057 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -6.331 -5.592 11.191 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -5.018 -4.436 11.300 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -7.484 -3.139 10.418 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -7.728 -3.994 11.928 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -5.638 -2.852 12.820 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.598 -1.896 11.351 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -6.727 -0.831 13.283 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -7.675 -0.910 11.877 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -7.959 -1.992 13.155 1.00 2.52 H new ATOM 619 N ILE A 816 -3.921 -2.823 6.716 1.00 0.43 N ATOM 620 CA ILE A 816 -3.326 -3.047 5.413 1.00 0.34 C ATOM 621 C ILE A 816 -1.974 -3.743 5.531 1.00 0.30 C ATOM 622 O ILE A 816 -1.143 -3.414 6.390 1.00 0.33 O ATOM 623 CB ILE A 816 -3.150 -1.736 4.614 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.233 -0.757 5.353 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.501 -1.095 4.351 1.00 0.55 C ATOM 626 CD1 ILE A 816 -1.928 0.500 4.565 1.00 1.06 C ATOM 0 H ILE A 816 -3.857 -1.862 7.052 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.020 -3.690 4.873 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.683 -1.982 3.660 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.699 -0.479 6.299 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.297 -1.261 5.595 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.362 -0.172 3.787 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.124 -1.781 3.777 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -4.988 -0.871 5.300 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.274 1.146 5.150 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.434 0.233 3.631 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -2.857 1.027 4.346 1.00 1.06 H new ATOM 638 N LYS A 817 -1.717 -4.619 4.581 1.00 0.26 N ATOM 639 CA LYS A 817 -0.451 -5.309 4.491 1.00 0.24 C ATOM 640 C LYS A 817 0.083 -5.112 3.092 1.00 0.23 C ATOM 641 O LYS A 817 -0.694 -4.928 2.162 1.00 0.24 O ATOM 642 CB LYS A 817 -0.628 -6.790 4.810 1.00 0.33 C ATOM 643 CG LYS A 817 0.664 -7.460 5.231 1.00 0.74 C ATOM 644 CD LYS A 817 0.426 -8.745 6.011 1.00 0.68 C ATOM 645 CE LYS A 817 -0.387 -9.753 5.222 1.00 1.18 C ATOM 646 NZ LYS A 817 -0.519 -11.042 5.948 1.00 1.35 N ATOM 0 H LYS A 817 -2.382 -4.871 3.850 1.00 0.26 H new ATOM 0 HA LYS A 817 0.257 -4.907 5.216 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.365 -6.900 5.606 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -1.027 -7.300 3.934 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.260 -7.681 4.346 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.245 -6.770 5.842 1.00 0.74 H new ATOM 0 HD2 LYS A 817 1.385 -9.187 6.281 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.092 -8.512 6.942 1.00 0.68 H new ATOM 0 HE2 LYS A 817 -1.378 -9.345 5.022 1.00 1.18 H new ATOM 0 HE3 LYS A 817 0.087 -9.926 4.256 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 -1.081 -11.706 5.378 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 0.425 -11.444 6.117 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 -0.994 -10.880 6.859 1.00 1.35 H new ATOM 660 N TYR A 818 1.379 -4.924 2.981 1.00 0.20 N ATOM 661 CA TYR A 818 1.954 -4.465 1.740 1.00 0.19 C ATOM 662 C TYR A 818 3.085 -5.366 1.286 1.00 0.18 C ATOM 663 O TYR A 818 3.744 -6.026 2.085 1.00 0.19 O ATOM 664 CB TYR A 818 2.433 -3.012 1.868 1.00 0.20 C ATOM 665 CG TYR A 818 3.751 -2.832 2.593 1.00 0.20 C ATOM 666 CD1 TYR A 818 3.794 -2.749 3.979 1.00 0.25 C ATOM 667 CD2 TYR A 818 4.951 -2.780 1.897 1.00 0.23 C ATOM 668 CE1 TYR A 818 4.992 -2.608 4.649 1.00 0.27 C ATOM 669 CE2 TYR A 818 6.155 -2.645 2.559 1.00 0.25 C ATOM 670 CZ TYR A 818 6.168 -2.445 3.910 1.00 0.26 C ATOM 671 OH TYR A 818 7.370 -2.418 4.594 1.00 0.30 O ATOM 0 H TYR A 818 2.051 -5.081 3.732 1.00 0.20 H new ATOM 0 HA TYR A 818 1.175 -4.505 0.979 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.525 -2.586 0.869 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.667 -2.438 2.390 1.00 0.20 H new ATOM 0 HD1 TYR A 818 2.874 -2.796 4.542 1.00 0.25 H new ATOM 0 HD2 TYR A 818 4.943 -2.846 0.819 1.00 0.23 H new ATOM 0 HE1 TYR A 818 5.021 -2.623 5.729 1.00 0.27 H new ATOM 0 HE2 TYR A 818 7.084 -2.697 2.010 1.00 0.25 H new ATOM 0 HH TYR A 818 8.106 -2.300 3.958 1.00 0.30 H new ATOM 681 N GLN A 819 3.199 -5.486 -0.012 1.00 0.17 N ATOM 682 CA GLN A 819 4.166 -6.364 -0.625 1.00 0.19 C ATOM 683 C GLN A 819 4.985 -5.598 -1.640 1.00 0.19 C ATOM 684 O GLN A 819 4.489 -4.672 -2.273 1.00 0.18 O ATOM 685 CB GLN A 819 3.462 -7.555 -1.289 1.00 0.22 C ATOM 686 CG GLN A 819 4.274 -8.214 -2.397 1.00 0.35 C ATOM 687 CD GLN A 819 3.733 -9.566 -2.822 1.00 0.45 C ATOM 688 OE1 GLN A 819 3.944 -10.576 -2.157 1.00 1.08 O ATOM 689 NE2 GLN A 819 3.042 -9.593 -3.947 1.00 0.90 N ATOM 0 H GLN A 819 2.620 -4.975 -0.679 1.00 0.17 H new ATOM 0 HA GLN A 819 4.833 -6.749 0.146 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.234 -8.300 -0.527 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.510 -7.218 -1.701 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.296 -7.552 -3.263 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.304 -8.333 -2.060 1.00 0.35 H new ATOM 0 HE21 GLN A 819 2.888 -8.732 -4.472 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.662 -10.475 -4.291 1.00 0.90 H new ATOM 698 N ASP A 820 6.246 -5.959 -1.758 1.00 0.22 N ATOM 699 CA ASP A 820 7.165 -5.239 -2.611 1.00 0.24 C ATOM 700 C ASP A 820 7.826 -6.203 -3.579 1.00 0.28 C ATOM 701 O ASP A 820 8.005 -7.389 -3.256 1.00 0.38 O ATOM 702 CB ASP A 820 8.233 -4.544 -1.763 1.00 0.31 C ATOM 703 CG ASP A 820 9.138 -5.523 -1.028 1.00 0.96 C ATOM 704 OD1 ASP A 820 10.063 -6.084 -1.656 1.00 1.38 O ATOM 705 OD2 ASP A 820 8.914 -5.754 0.177 1.00 1.73 O ATOM 0 H ASP A 820 6.659 -6.753 -1.269 1.00 0.22 H new ATOM 0 HA ASP A 820 6.613 -4.486 -3.173 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.841 -3.907 -2.405 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.746 -3.893 -1.037 1.00 0.31 H new ATOM 710 N GLU A 821 7.995 -5.742 -4.825 1.00 0.28 N ATOM 711 CA GLU A 821 8.536 -6.571 -5.905 1.00 0.38 C ATOM 712 C GLU A 821 7.660 -7.799 -6.134 1.00 0.85 C ATOM 713 O GLU A 821 8.146 -8.838 -6.571 1.00 0.63 O ATOM 714 CB GLU A 821 9.971 -7.023 -5.592 1.00 1.20 C ATOM 715 CG GLU A 821 10.909 -5.898 -5.174 1.00 1.63 C ATOM 716 CD GLU A 821 12.365 -6.325 -5.158 1.00 2.62 C ATOM 717 OE1 GLU A 821 12.681 -7.409 -5.687 1.00 3.04 O ATOM 718 OE2 GLU A 821 13.203 -5.579 -4.604 1.00 3.38 O ATOM 0 H GLU A 821 7.762 -4.791 -5.110 1.00 0.28 H new ATOM 0 HA GLU A 821 8.547 -5.962 -6.809 1.00 0.38 H new ATOM 0 HB2 GLU A 821 9.939 -7.767 -4.796 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.384 -7.515 -6.472 1.00 1.20 H new ATOM 0 HG2 GLU A 821 10.789 -5.057 -5.857 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.627 -5.545 -4.182 1.00 1.63 H new ATOM 725 N ASP A 822 6.387 -7.675 -5.742 1.00 1.90 N ATOM 726 CA ASP A 822 5.403 -8.769 -5.797 1.00 2.86 C ATOM 727 C ASP A 822 5.991 -10.108 -5.342 1.00 2.24 C ATOM 728 O ASP A 822 5.710 -11.155 -5.924 1.00 2.49 O ATOM 729 CB ASP A 822 4.740 -8.881 -7.190 1.00 3.96 C ATOM 730 CG ASP A 822 5.691 -9.190 -8.338 1.00 5.04 C ATOM 731 OD1 ASP A 822 6.248 -10.307 -8.363 1.00 5.63 O ATOM 732 OD2 ASP A 822 5.918 -8.316 -9.198 1.00 5.45 O ATOM 0 H ASP A 822 6.004 -6.804 -5.373 1.00 1.90 H new ATOM 0 HA ASP A 822 4.619 -8.513 -5.085 1.00 2.86 H new ATOM 0 HB2 ASP A 822 3.979 -9.660 -7.151 1.00 3.96 H new ATOM 0 HB3 ASP A 822 4.227 -7.944 -7.407 1.00 3.96 H new ATOM 737 N GLY A 823 6.783 -10.071 -4.272 1.00 1.39 N ATOM 738 CA GLY A 823 7.420 -11.280 -3.799 1.00 0.79 C ATOM 739 C GLY A 823 7.401 -11.447 -2.289 1.00 0.74 C ATOM 740 O GLY A 823 7.449 -12.573 -1.794 1.00 0.91 O ATOM 0 H GLY A 823 6.991 -9.231 -3.731 1.00 1.39 H new ATOM 0 HA2 GLY A 823 6.926 -12.139 -4.254 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.455 -11.289 -4.141 1.00 0.79 H new ATOM 744 N ASP A 824 7.419 -10.345 -1.549 1.00 0.55 N ATOM 745 CA ASP A 824 7.518 -10.413 -0.085 1.00 0.53 C ATOM 746 C ASP A 824 6.409 -9.601 0.570 1.00 0.40 C ATOM 747 O ASP A 824 5.947 -8.624 -0.002 1.00 0.32 O ATOM 748 CB ASP A 824 8.886 -9.912 0.384 1.00 0.61 C ATOM 749 CG ASP A 824 9.055 -9.999 1.888 1.00 0.97 C ATOM 750 OD1 ASP A 824 8.885 -11.099 2.447 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.345 -8.961 2.521 1.00 1.47 O ATOM 0 H ASP A 824 7.367 -9.399 -1.928 1.00 0.55 H new ATOM 0 HA ASP A 824 7.405 -11.455 0.214 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.668 -10.497 -0.100 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.018 -8.878 0.067 1.00 0.61 H new ATOM 756 N PHE A 825 5.930 -10.056 1.726 1.00 0.43 N ATOM 757 CA PHE A 825 4.753 -9.457 2.358 1.00 0.38 C ATOM 758 C PHE A 825 5.068 -9.015 3.782 1.00 0.40 C ATOM 759 O PHE A 825 5.767 -9.702 4.529 1.00 0.47 O ATOM 760 CB PHE A 825 3.598 -10.470 2.407 1.00 0.47 C ATOM 761 CG PHE A 825 2.374 -10.064 1.630 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.314 -10.239 0.258 1.00 0.91 C ATOM 763 CD2 PHE A 825 1.294 -9.487 2.267 1.00 0.55 C ATOM 764 CE1 PHE A 825 1.201 -9.854 -0.457 1.00 1.16 C ATOM 765 CE2 PHE A 825 0.173 -9.100 1.556 1.00 0.80 C ATOM 766 CZ PHE A 825 0.101 -9.348 0.203 1.00 1.04 C ATOM 0 H PHE A 825 6.336 -10.835 2.244 1.00 0.43 H new ATOM 0 HA PHE A 825 4.464 -8.591 1.763 1.00 0.38 H new ATOM 0 HB2 PHE A 825 3.955 -11.426 2.024 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.315 -10.629 3.448 1.00 0.47 H new ATOM 0 HD1 PHE A 825 3.151 -10.684 -0.259 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.325 -9.336 3.336 1.00 0.55 H new ATOM 0 HE1 PHE A 825 1.190 -9.948 -1.533 1.00 1.16 H new ATOM 0 HE2 PHE A 825 -0.644 -8.605 2.060 1.00 0.80 H new ATOM 0 HZ PHE A 825 -0.812 -9.147 -0.338 1.00 1.04 H new ATOM 776 N VAL A 826 4.671 -7.788 4.067 1.00 0.35 N ATOM 777 CA VAL A 826 4.998 -7.091 5.303 1.00 0.39 C ATOM 778 C VAL A 826 3.864 -6.116 5.634 1.00 0.31 C ATOM 779 O VAL A 826 3.113 -5.741 4.745 1.00 0.29 O ATOM 780 CB VAL A 826 6.360 -6.358 5.184 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.502 -5.713 3.819 1.00 1.35 C ATOM 782 CG2 VAL A 826 6.538 -5.320 6.283 1.00 0.95 C ATOM 0 H VAL A 826 4.098 -7.233 3.431 1.00 0.35 H new ATOM 0 HA VAL A 826 5.097 -7.812 6.114 1.00 0.39 H new ATOM 0 HB VAL A 826 7.145 -7.105 5.303 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.464 -5.204 3.755 1.00 1.35 H new ATOM 0 HG12 VAL A 826 6.446 -6.480 3.047 1.00 1.35 H new ATOM 0 HG13 VAL A 826 5.699 -4.991 3.673 1.00 1.35 H new ATOM 0 HG21 VAL A 826 7.504 -4.828 6.166 1.00 0.95 H new ATOM 0 HG22 VAL A 826 5.742 -4.578 6.215 1.00 0.95 H new ATOM 0 HG23 VAL A 826 6.496 -5.809 7.256 1.00 0.95 H new ATOM 792 N VAL A 827 3.603 -5.862 6.906 1.00 0.33 N ATOM 793 CA VAL A 827 2.386 -5.146 7.287 1.00 0.32 C ATOM 794 C VAL A 827 2.724 -3.893 8.081 1.00 0.35 C ATOM 795 O VAL A 827 3.770 -3.818 8.728 1.00 0.40 O ATOM 796 CB VAL A 827 1.455 -6.053 8.133 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.141 -6.503 9.419 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.144 -5.351 8.443 1.00 1.22 C ATOM 0 H VAL A 827 4.203 -6.134 7.684 1.00 0.33 H new ATOM 0 HA VAL A 827 1.870 -4.861 6.370 1.00 0.32 H new ATOM 0 HB VAL A 827 1.234 -6.941 7.541 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.463 -7.137 9.990 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.042 -7.064 9.173 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.408 -5.629 10.014 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.490 -6.009 9.037 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.344 -4.437 9.003 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.364 -5.102 7.512 1.00 1.22 H new ATOM 808 N LEU A 828 1.949 -2.838 7.837 1.00 0.34 N ATOM 809 CA LEU A 828 2.304 -1.519 8.334 1.00 0.38 C ATOM 810 C LEU A 828 1.152 -0.882 9.097 1.00 0.44 C ATOM 811 O LEU A 828 -0.017 -1.132 8.802 1.00 0.48 O ATOM 812 CB LEU A 828 2.755 -0.615 7.165 1.00 0.38 C ATOM 813 CG LEU A 828 1.667 -0.154 6.180 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.958 1.091 6.693 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.266 0.118 4.810 1.00 0.96 C ATOM 0 H LEU A 828 1.081 -2.874 7.303 1.00 0.34 H new ATOM 0 HA LEU A 828 3.134 -1.632 9.032 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.229 0.272 7.586 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.520 -1.148 6.600 1.00 0.38 H new ATOM 0 HG LEU A 828 0.935 -0.957 6.093 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.194 1.395 5.978 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.490 0.874 7.653 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.681 1.897 6.816 1.00 1.03 H new ATOM 0 HD21 LEU A 828 1.481 0.443 4.128 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.022 0.899 4.892 1.00 0.96 H new ATOM 0 HD23 LEU A 828 2.726 -0.793 4.427 1.00 0.96 H new ATOM 827 N GLY A 829 1.495 -0.060 10.079 1.00 0.53 N ATOM 828 CA GLY A 829 0.485 0.624 10.857 1.00 0.63 C ATOM 829 C GLY A 829 1.080 1.511 11.927 1.00 0.73 C ATOM 830 O GLY A 829 0.504 1.664 13.005 1.00 1.20 O ATOM 0 H GLY A 829 2.457 0.145 10.350 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.134 1.227 10.193 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.170 -0.112 11.323 1.00 0.63 H new ATOM 834 N SER A 830 2.220 2.120 11.624 1.00 0.74 N ATOM 835 CA SER A 830 2.882 3.015 12.564 1.00 0.85 C ATOM 836 C SER A 830 3.824 3.982 11.844 1.00 0.98 C ATOM 837 O SER A 830 4.834 4.409 12.407 1.00 1.93 O ATOM 838 CB SER A 830 3.641 2.203 13.619 1.00 0.89 C ATOM 839 OG SER A 830 4.436 1.185 13.023 1.00 1.58 O ATOM 0 H SER A 830 2.705 2.010 10.734 1.00 0.74 H new ATOM 0 HA SER A 830 2.117 3.611 13.062 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.278 2.868 14.202 1.00 0.89 H new ATOM 0 HB3 SER A 830 2.931 1.752 14.312 1.00 0.89 H new ATOM 0 HG SER A 830 4.470 1.322 12.053 1.00 1.58 H new ATOM 845 N ASP A 831 3.407 4.412 10.653 1.00 0.62 N ATOM 846 CA ASP A 831 4.103 5.445 9.863 1.00 0.62 C ATOM 847 C ASP A 831 5.472 4.997 9.344 1.00 0.58 C ATOM 848 O ASP A 831 5.724 5.047 8.139 1.00 0.97 O ATOM 849 CB ASP A 831 4.264 6.745 10.662 1.00 0.86 C ATOM 850 CG ASP A 831 2.958 7.492 10.863 1.00 1.20 C ATOM 851 OD1 ASP A 831 1.889 6.960 10.496 1.00 1.79 O ATOM 852 OD2 ASP A 831 2.996 8.624 11.392 1.00 1.74 O ATOM 0 H ASP A 831 2.567 4.053 10.199 1.00 0.62 H new ATOM 0 HA ASP A 831 3.466 5.621 8.996 1.00 0.62 H new ATOM 0 HB2 ASP A 831 4.696 6.514 11.636 1.00 0.86 H new ATOM 0 HB3 ASP A 831 4.971 7.395 10.146 1.00 0.86 H new ATOM 857 N GLU A 832 6.378 4.647 10.251 1.00 0.50 N ATOM 858 CA GLU A 832 7.758 4.327 9.884 1.00 0.44 C ATOM 859 C GLU A 832 7.823 3.151 8.921 1.00 0.34 C ATOM 860 O GLU A 832 8.703 3.091 8.063 1.00 0.34 O ATOM 861 CB GLU A 832 8.598 4.040 11.127 1.00 0.56 C ATOM 862 CG GLU A 832 8.635 5.201 12.105 1.00 1.41 C ATOM 863 CD GLU A 832 8.840 6.532 11.413 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.849 6.690 10.692 1.00 2.62 O ATOM 865 OE2 GLU A 832 7.982 7.424 11.574 1.00 2.93 O ATOM 0 H GLU A 832 6.183 4.577 11.250 1.00 0.50 H new ATOM 0 HA GLU A 832 8.170 5.199 9.377 1.00 0.44 H new ATOM 0 HB2 GLU A 832 8.199 3.160 11.632 1.00 0.56 H new ATOM 0 HB3 GLU A 832 9.616 3.798 10.822 1.00 0.56 H new ATOM 0 HG2 GLU A 832 7.703 5.227 12.669 1.00 1.41 H new ATOM 0 HG3 GLU A 832 9.438 5.041 12.824 1.00 1.41 H new ATOM 872 N ASP A 833 6.848 2.260 9.029 1.00 0.32 N ATOM 873 CA ASP A 833 6.747 1.111 8.135 1.00 0.29 C ATOM 874 C ASP A 833 6.663 1.581 6.686 1.00 0.24 C ATOM 875 O ASP A 833 7.345 1.058 5.805 1.00 0.23 O ATOM 876 CB ASP A 833 5.501 0.288 8.460 1.00 0.38 C ATOM 877 CG ASP A 833 5.264 0.099 9.943 1.00 1.21 C ATOM 878 OD1 ASP A 833 6.101 -0.538 10.615 1.00 2.14 O ATOM 879 OD2 ASP A 833 4.224 0.578 10.444 1.00 1.50 O ATOM 0 H ASP A 833 6.110 2.310 9.731 1.00 0.32 H new ATOM 0 HA ASP A 833 7.635 0.494 8.273 1.00 0.29 H new ATOM 0 HB2 ASP A 833 4.630 0.776 8.022 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.590 -0.690 7.988 1.00 0.38 H new ATOM 884 N TRP A 834 5.865 2.617 6.456 1.00 0.22 N ATOM 885 CA TRP A 834 5.739 3.194 5.130 1.00 0.20 C ATOM 886 C TRP A 834 7.037 3.879 4.718 1.00 0.19 C ATOM 887 O TRP A 834 7.457 3.779 3.567 1.00 0.18 O ATOM 888 CB TRP A 834 4.578 4.187 5.074 1.00 0.23 C ATOM 889 CG TRP A 834 4.383 4.797 3.719 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.215 6.117 3.432 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.345 4.107 2.464 1.00 0.19 C ATOM 892 NE1 TRP A 834 4.062 6.293 2.080 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.141 5.074 1.463 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.464 2.766 2.091 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.055 4.740 0.114 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.381 2.441 0.753 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.179 3.420 -0.217 1.00 0.19 C ATOM 0 H TRP A 834 5.298 3.072 7.172 1.00 0.22 H new ATOM 0 HA TRP A 834 5.533 2.384 4.430 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.660 3.679 5.371 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.753 4.981 5.800 1.00 0.23 H new ATOM 0 HD1 TRP A 834 4.204 6.912 4.163 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.914 7.187 1.611 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.618 1.999 2.835 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.896 5.495 -0.642 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.474 1.408 0.452 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.119 3.129 -1.255 1.00 0.19 H new ATOM 908 N ASN A 835 7.670 4.573 5.659 1.00 0.22 N ATOM 909 CA ASN A 835 8.918 5.274 5.371 1.00 0.25 C ATOM 910 C ASN A 835 9.976 4.309 4.857 1.00 0.21 C ATOM 911 O ASN A 835 10.528 4.502 3.771 1.00 0.21 O ATOM 912 CB ASN A 835 9.446 6.017 6.606 1.00 0.34 C ATOM 913 CG ASN A 835 8.568 7.187 7.002 1.00 1.15 C ATOM 914 OD1 ASN A 835 8.006 7.872 6.149 1.00 1.66 O ATOM 915 ND2 ASN A 835 8.486 7.466 8.293 1.00 2.00 N ATOM 0 H ASN A 835 7.343 4.665 6.621 1.00 0.22 H new ATOM 0 HA ASN A 835 8.703 6.010 4.596 1.00 0.25 H new ATOM 0 HB2 ASN A 835 9.516 5.321 7.442 1.00 0.34 H new ATOM 0 HB3 ASN A 835 10.455 6.377 6.405 1.00 0.34 H new ATOM 0 HD21 ASN A 835 7.944 8.271 8.607 1.00 2.00 H new ATOM 0 HD22 ASN A 835 8.965 6.876 8.974 1.00 2.00 H new ATOM 922 N VAL A 836 10.182 3.221 5.586 1.00 0.22 N ATOM 923 CA VAL A 836 11.137 2.214 5.165 1.00 0.25 C ATOM 924 C VAL A 836 10.706 1.560 3.852 1.00 0.19 C ATOM 925 O VAL A 836 11.544 1.282 3.004 1.00 0.19 O ATOM 926 CB VAL A 836 11.391 1.140 6.250 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.907 1.788 7.524 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.143 0.323 6.537 1.00 1.22 C ATOM 0 H VAL A 836 9.704 3.017 6.464 1.00 0.22 H new ATOM 0 HA VAL A 836 12.081 2.734 5.004 1.00 0.25 H new ATOM 0 HB VAL A 836 12.149 0.457 5.867 1.00 0.39 H new ATOM 0 HG11 VAL A 836 12.081 1.020 8.278 1.00 1.36 H new ATOM 0 HG12 VAL A 836 12.841 2.309 7.315 1.00 1.36 H new ATOM 0 HG13 VAL A 836 11.169 2.500 7.895 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.363 -0.420 7.304 1.00 1.22 H new ATOM 0 HG22 VAL A 836 9.349 0.982 6.888 1.00 1.22 H new ATOM 0 HG23 VAL A 836 9.820 -0.181 5.626 1.00 1.22 H new ATOM 938 N ALA A 837 9.398 1.354 3.665 1.00 0.16 N ATOM 939 CA ALA A 837 8.897 0.772 2.419 1.00 0.15 C ATOM 940 C ALA A 837 9.258 1.641 1.213 1.00 0.15 C ATOM 941 O ALA A 837 9.782 1.137 0.220 1.00 0.19 O ATOM 942 CB ALA A 837 7.391 0.556 2.474 1.00 0.17 C ATOM 0 H ALA A 837 8.677 1.578 4.351 1.00 0.16 H new ATOM 0 HA ALA A 837 9.381 -0.198 2.302 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.051 0.123 1.533 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.150 -0.121 3.293 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.892 1.512 2.635 1.00 0.17 H new ATOM 948 N LYS A 838 8.991 2.945 1.306 1.00 0.14 N ATOM 949 CA LYS A 838 9.310 3.870 0.217 1.00 0.19 C ATOM 950 C LYS A 838 10.800 3.839 -0.097 1.00 0.20 C ATOM 951 O LYS A 838 11.200 3.655 -1.253 1.00 0.24 O ATOM 952 CB LYS A 838 8.917 5.300 0.574 1.00 0.23 C ATOM 953 CG LYS A 838 7.481 5.460 1.025 1.00 0.23 C ATOM 954 CD LYS A 838 7.077 6.924 1.035 1.00 0.40 C ATOM 955 CE LYS A 838 7.952 7.753 1.959 1.00 0.49 C ATOM 956 NZ LYS A 838 7.635 7.531 3.389 1.00 1.22 N ATOM 0 H LYS A 838 8.557 3.382 2.119 1.00 0.14 H new ATOM 0 HA LYS A 838 8.742 3.548 -0.655 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.576 5.658 1.365 1.00 0.23 H new ATOM 0 HB3 LYS A 838 9.086 5.938 -0.294 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.822 4.901 0.360 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.360 5.038 2.023 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.139 7.324 0.023 1.00 0.40 H new ATOM 0 HD3 LYS A 838 6.037 7.010 1.348 1.00 0.40 H new ATOM 0 HE2 LYS A 838 8.999 7.508 1.780 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.827 8.810 1.722 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 8.465 7.767 3.969 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 6.836 8.136 3.665 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 7.381 6.533 3.538 1.00 1.22 H new ATOM 970 N GLU A 839 11.615 4.002 0.947 1.00 0.21 N ATOM 971 CA GLU A 839 13.065 3.974 0.802 1.00 0.26 C ATOM 972 C GLU A 839 13.518 2.645 0.218 1.00 0.27 C ATOM 973 O GLU A 839 14.339 2.611 -0.692 1.00 0.31 O ATOM 974 CB GLU A 839 13.745 4.219 2.150 1.00 0.32 C ATOM 975 CG GLU A 839 14.210 5.654 2.349 1.00 0.47 C ATOM 976 CD GLU A 839 13.129 6.682 2.090 1.00 1.34 C ATOM 977 OE1 GLU A 839 12.128 6.700 2.835 1.00 2.22 O ATOM 978 OE2 GLU A 839 13.265 7.472 1.136 1.00 1.85 O ATOM 0 H GLU A 839 11.291 4.155 1.902 1.00 0.21 H new ATOM 0 HA GLU A 839 13.355 4.771 0.117 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.052 3.957 2.949 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.603 3.553 2.241 1.00 0.32 H new ATOM 0 HG2 GLU A 839 14.574 5.771 3.370 1.00 0.47 H new ATOM 0 HG3 GLU A 839 15.052 5.850 1.686 1.00 0.47 H new ATOM 985 N MET A 840 12.912 1.567 0.689 1.00 0.27 N ATOM 986 CA MET A 840 13.189 0.230 0.181 1.00 0.31 C ATOM 987 C MET A 840 13.006 0.169 -1.334 1.00 0.34 C ATOM 988 O MET A 840 13.894 -0.276 -2.053 1.00 0.40 O ATOM 989 CB MET A 840 12.262 -0.773 0.869 1.00 0.32 C ATOM 990 CG MET A 840 12.257 -2.161 0.254 1.00 0.36 C ATOM 991 SD MET A 840 11.016 -3.231 1.012 1.00 0.76 S ATOM 992 CE MET A 840 9.511 -2.312 0.669 1.00 0.35 C ATOM 0 H MET A 840 12.215 1.592 1.433 1.00 0.27 H new ATOM 0 HA MET A 840 14.227 -0.021 0.400 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.553 -0.856 1.916 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.246 -0.379 0.851 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.064 -2.083 -0.816 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.243 -2.612 0.368 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.777 -2.974 0.210 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.108 -1.913 1.600 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.734 -1.490 -0.012 1.00 0.35 H new ATOM 1002 N LEU A 841 11.869 0.652 -1.816 1.00 0.30 N ATOM 1003 CA LEU A 841 11.579 0.644 -3.243 1.00 0.35 C ATOM 1004 C LEU A 841 12.628 1.434 -4.021 1.00 0.39 C ATOM 1005 O LEU A 841 13.282 0.904 -4.923 1.00 0.50 O ATOM 1006 CB LEU A 841 10.198 1.258 -3.501 1.00 0.33 C ATOM 1007 CG LEU A 841 9.047 0.661 -2.689 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.791 1.501 -2.857 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.783 -0.777 -3.105 1.00 0.62 C ATOM 0 H LEU A 841 11.131 1.055 -1.238 1.00 0.30 H new ATOM 0 HA LEU A 841 11.595 -0.392 -3.582 1.00 0.35 H new ATOM 0 HB2 LEU A 841 10.250 2.326 -3.292 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.965 1.152 -4.560 1.00 0.33 H new ATOM 0 HG LEU A 841 9.332 0.665 -1.637 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.980 1.064 -2.274 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.983 2.516 -2.509 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.508 1.526 -3.909 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.961 -1.181 -2.515 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.520 -0.807 -4.162 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.679 -1.375 -2.937 1.00 0.62 H new ATOM 1021 N ALA A 842 12.779 2.703 -3.661 1.00 0.36 N ATOM 1022 CA ALA A 842 13.675 3.607 -4.374 1.00 0.44 C ATOM 1023 C ALA A 842 15.136 3.179 -4.271 1.00 0.52 C ATOM 1024 O ALA A 842 15.864 3.188 -5.265 1.00 0.61 O ATOM 1025 CB ALA A 842 13.496 5.027 -3.858 1.00 0.47 C ATOM 0 H ALA A 842 12.290 3.132 -2.875 1.00 0.36 H new ATOM 0 HA ALA A 842 13.409 3.568 -5.430 1.00 0.44 H new ATOM 0 HB1 ALA A 842 14.168 5.697 -4.395 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.465 5.344 -4.016 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.726 5.059 -2.793 1.00 0.47 H new ATOM 1031 N GLU A 843 15.574 2.857 -3.064 1.00 0.53 N ATOM 1032 CA GLU A 843 16.961 2.484 -2.827 1.00 0.66 C ATOM 1033 C GLU A 843 17.308 1.175 -3.526 1.00 0.71 C ATOM 1034 O GLU A 843 18.371 1.056 -4.139 1.00 0.81 O ATOM 1035 CB GLU A 843 17.229 2.366 -1.322 1.00 0.71 C ATOM 1036 CG GLU A 843 18.622 1.865 -0.974 1.00 1.45 C ATOM 1037 CD GLU A 843 18.855 1.790 0.521 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.848 2.850 1.184 1.00 2.43 O ATOM 1039 OE2 GLU A 843 19.040 0.674 1.045 1.00 2.92 O ATOM 0 H GLU A 843 14.987 2.846 -2.230 1.00 0.53 H new ATOM 0 HA GLU A 843 17.595 3.267 -3.242 1.00 0.66 H new ATOM 0 HB2 GLU A 843 17.080 3.342 -0.860 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.493 1.691 -0.885 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.769 0.877 -1.411 1.00 1.45 H new ATOM 0 HG3 GLU A 843 19.365 2.526 -1.421 1.00 1.45 H new ATOM 1046 N ASN A 844 16.453 0.170 -3.368 1.00 0.67 N ATOM 1047 CA ASN A 844 16.731 -1.149 -3.929 1.00 0.80 C ATOM 1048 C ASN A 844 16.673 -1.129 -5.448 1.00 0.79 C ATOM 1049 O ASN A 844 17.688 -1.384 -6.097 1.00 1.11 O ATOM 1050 CB ASN A 844 15.766 -2.206 -3.379 1.00 0.85 C ATOM 1051 CG ASN A 844 15.908 -2.420 -1.879 1.00 0.97 C ATOM 1052 OD1 ASN A 844 15.192 -3.224 -1.286 1.00 1.53 O ATOM 1053 ND2 ASN A 844 16.831 -1.704 -1.256 1.00 1.15 N ATOM 0 H ASN A 844 15.570 0.241 -2.862 1.00 0.67 H new ATOM 0 HA ASN A 844 17.743 -1.417 -3.627 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.742 -1.906 -3.602 1.00 0.85 H new ATOM 0 HB3 ASN A 844 15.940 -3.151 -3.893 1.00 0.85 H new ATOM 0 HD21 ASN A 844 16.966 -1.810 -0.251 1.00 1.15 H new ATOM 0 HD22 ASN A 844 17.407 -1.046 -1.781 1.00 1.15 H new ATOM 1060 N ASN A 845 15.514 -0.730 -6.000 1.00 0.62 N ATOM 1061 CA ASN A 845 15.325 -0.622 -7.459 1.00 0.71 C ATOM 1062 C ASN A 845 13.846 -0.592 -7.819 1.00 0.61 C ATOM 1063 O ASN A 845 13.480 -0.158 -8.911 1.00 0.71 O ATOM 1064 CB ASN A 845 15.998 -1.784 -8.225 1.00 0.92 C ATOM 1065 CG ASN A 845 15.363 -3.146 -7.968 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.277 -3.449 -8.461 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.043 -3.979 -7.197 1.00 1.48 N ATOM 0 H ASN A 845 14.690 -0.476 -5.456 1.00 0.62 H new ATOM 0 HA ASN A 845 15.799 0.313 -7.758 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.959 -1.572 -9.293 1.00 0.92 H new ATOM 0 HB3 ASN A 845 17.051 -1.827 -7.947 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.670 -4.906 -6.994 1.00 1.48 H new ATOM 0 HD22 ASN A 845 16.941 -3.694 -6.805 1.00 1.48 H new ATOM 1074 N GLU A 846 13.030 -1.241 -6.999 1.00 0.55 N ATOM 1075 CA GLU A 846 11.642 -1.476 -7.356 1.00 0.63 C ATOM 1076 C GLU A 846 10.767 -0.261 -7.049 1.00 0.73 C ATOM 1077 O GLU A 846 11.252 0.866 -6.943 1.00 1.49 O ATOM 1078 CB GLU A 846 11.124 -2.711 -6.614 1.00 0.77 C ATOM 1079 CG GLU A 846 10.028 -3.461 -7.360 1.00 1.40 C ATOM 1080 CD GLU A 846 10.507 -4.039 -8.675 1.00 2.19 C ATOM 1081 OE1 GLU A 846 11.379 -4.927 -8.659 1.00 2.54 O ATOM 1082 OE2 GLU A 846 10.010 -3.610 -9.733 1.00 2.97 O ATOM 0 H GLU A 846 13.305 -1.611 -6.089 1.00 0.55 H new ATOM 0 HA GLU A 846 11.590 -1.649 -8.431 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.957 -3.390 -6.432 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.743 -2.405 -5.640 1.00 0.77 H new ATOM 0 HG2 GLU A 846 9.651 -4.266 -6.730 1.00 1.40 H new ATOM 0 HG3 GLU A 846 9.194 -2.785 -7.547 1.00 1.40 H new ATOM 1089 N LYS A 847 9.473 -0.511 -6.919 1.00 0.42 N ATOM 1090 CA LYS A 847 8.486 0.523 -6.655 1.00 0.37 C ATOM 1091 C LYS A 847 7.121 -0.135 -6.470 1.00 0.35 C ATOM 1092 O LYS A 847 6.240 0.413 -5.809 1.00 0.44 O ATOM 1093 CB LYS A 847 8.434 1.532 -7.809 1.00 0.44 C ATOM 1094 CG LYS A 847 7.920 2.905 -7.403 1.00 0.63 C ATOM 1095 CD LYS A 847 8.913 3.660 -6.522 1.00 1.29 C ATOM 1096 CE LYS A 847 10.028 4.320 -7.331 1.00 1.80 C ATOM 1097 NZ LYS A 847 10.937 3.337 -7.979 1.00 2.40 N ATOM 0 H LYS A 847 9.075 -1.447 -6.995 1.00 0.42 H new ATOM 0 HA LYS A 847 8.763 1.063 -5.750 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.433 1.639 -8.231 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.796 1.134 -8.598 1.00 0.44 H new ATOM 0 HG2 LYS A 847 7.713 3.492 -8.298 1.00 0.63 H new ATOM 0 HG3 LYS A 847 6.976 2.794 -6.869 1.00 0.63 H new ATOM 0 HD2 LYS A 847 8.382 4.422 -5.952 1.00 1.29 H new ATOM 0 HD3 LYS A 847 9.351 2.970 -5.801 1.00 1.29 H new ATOM 0 HE2 LYS A 847 9.585 4.957 -8.097 1.00 1.80 H new ATOM 0 HE3 LYS A 847 10.610 4.968 -6.676 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 11.875 3.766 -8.110 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 11.023 2.494 -7.376 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 10.549 3.063 -8.904 1.00 2.40 H new ATOM 1111 N PHE A 848 6.947 -1.287 -7.127 1.00 0.32 N ATOM 1112 CA PHE A 848 5.695 -2.037 -7.085 1.00 0.30 C ATOM 1113 C PHE A 848 5.293 -2.350 -5.658 1.00 0.24 C ATOM 1114 O PHE A 848 6.078 -2.922 -4.889 1.00 0.21 O ATOM 1115 CB PHE A 848 5.827 -3.361 -7.841 1.00 0.31 C ATOM 1116 CG PHE A 848 4.507 -3.892 -8.334 1.00 0.35 C ATOM 1117 CD1 PHE A 848 3.875 -3.285 -9.406 1.00 0.46 C ATOM 1118 CD2 PHE A 848 3.902 -4.996 -7.742 1.00 0.35 C ATOM 1119 CE1 PHE A 848 2.668 -3.759 -9.878 1.00 0.54 C ATOM 1120 CE2 PHE A 848 2.693 -5.472 -8.214 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.077 -4.854 -9.282 1.00 0.52 C ATOM 0 H PHE A 848 7.670 -1.721 -7.700 1.00 0.32 H new ATOM 0 HA PHE A 848 4.935 -1.412 -7.554 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.497 -3.223 -8.690 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.289 -4.101 -7.188 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.333 -2.429 -9.879 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.381 -5.485 -6.907 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.186 -3.273 -10.714 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.231 -6.328 -7.746 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.133 -5.227 -9.651 1.00 0.52 H new ATOM 1131 N LEU A 849 4.038 -2.081 -5.351 1.00 0.22 N ATOM 1132 CA LEU A 849 3.496 -2.370 -4.047 1.00 0.18 C ATOM 1133 C LEU A 849 2.206 -3.169 -4.182 1.00 0.17 C ATOM 1134 O LEU A 849 1.454 -3.013 -5.143 1.00 0.19 O ATOM 1135 CB LEU A 849 3.231 -1.074 -3.279 1.00 0.20 C ATOM 1136 CG LEU A 849 3.134 -1.238 -1.768 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.452 -1.742 -1.208 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.760 0.076 -1.118 1.00 0.55 C ATOM 0 H LEU A 849 3.373 -1.658 -5.998 1.00 0.22 H new ATOM 0 HA LEU A 849 4.224 -2.962 -3.492 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.028 -0.365 -3.503 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.302 -0.635 -3.644 1.00 0.20 H new ATOM 0 HG LEU A 849 2.356 -1.970 -1.548 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.369 -1.855 -0.127 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.693 -2.706 -1.656 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.242 -1.027 -1.438 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.695 -0.058 -0.038 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.520 0.824 -1.346 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.796 0.410 -1.501 1.00 0.55 H new ATOM 1150 N ASN A 850 1.998 -4.060 -3.241 1.00 0.16 N ATOM 1151 CA ASN A 850 0.828 -4.922 -3.221 1.00 0.17 C ATOM 1152 C ASN A 850 0.183 -4.814 -1.859 1.00 0.17 C ATOM 1153 O ASN A 850 0.867 -4.527 -0.887 1.00 0.16 O ATOM 1154 CB ASN A 850 1.219 -6.375 -3.495 1.00 0.19 C ATOM 1155 CG ASN A 850 1.771 -6.583 -4.887 1.00 0.34 C ATOM 1156 OD1 ASN A 850 1.032 -6.655 -5.855 1.00 0.96 O ATOM 1157 ND2 ASN A 850 3.088 -6.660 -4.998 1.00 0.45 N ATOM 0 H ASN A 850 2.637 -4.212 -2.461 1.00 0.16 H new ATOM 0 HA ASN A 850 0.132 -4.609 -3.999 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.963 -6.690 -2.764 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.346 -7.013 -3.357 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.516 -6.784 -5.916 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.675 -6.596 -4.166 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.130 -4.894 -1.801 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.833 -4.679 -0.547 1.00 0.21 C ATOM 1166 C ILE A 851 -2.764 -5.838 -0.267 1.00 0.24 C ATOM 1167 O ILE A 851 -3.618 -6.166 -1.088 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.701 -3.396 -0.556 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.204 -2.367 -1.572 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.754 -2.772 0.830 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.841 -1.774 -1.260 1.00 0.28 C ATOM 0 H ILE A 851 -1.730 -5.104 -2.598 1.00 0.18 H new ATOM 0 HA ILE A 851 -1.060 -4.583 0.216 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.705 -3.697 -0.854 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.164 -2.837 -2.555 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.931 -1.558 -1.635 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.369 -1.872 0.801 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -3.186 -3.484 1.533 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.745 -2.512 1.151 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.571 -1.055 -2.034 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.876 -1.271 -0.294 1.00 0.28 H new ATOM 0 HD13 ILE A 851 -0.097 -2.570 -1.228 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.682 -6.371 0.934 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.631 -7.359 1.369 1.00 0.37 C ATOM 1185 C ARG A 852 -4.563 -6.759 2.402 1.00 0.39 C ATOM 1186 O ARG A 852 -4.110 -6.244 3.426 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.950 -8.574 1.971 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.939 -9.602 2.497 1.00 0.60 C ATOM 1189 CD ARG A 852 -3.240 -10.780 3.137 1.00 0.70 C ATOM 1190 NE ARG A 852 -4.180 -11.650 3.843 1.00 1.27 N ATOM 1191 CZ ARG A 852 -3.894 -12.881 4.269 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -2.730 -13.442 3.973 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -4.794 -13.564 4.961 1.00 2.38 N ATOM 0 H ARG A 852 -1.967 -6.133 1.621 1.00 0.30 H new ATOM 0 HA ARG A 852 -4.191 -7.679 0.490 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -2.315 -9.040 1.217 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.298 -8.254 2.784 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.599 -9.131 3.226 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -4.567 -9.953 1.679 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -2.719 -11.354 2.371 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -2.484 -10.419 3.835 1.00 0.70 H new ATOM 0 HE ARG A 852 -5.118 -11.291 4.022 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -2.045 -12.932 3.415 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -2.519 -14.384 4.303 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -5.702 -13.148 5.166 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -4.578 -14.506 5.288 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.850 -6.932 2.195 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.825 -6.548 3.194 1.00 0.54 C ATOM 1209 C LEU A 853 -7.178 -7.777 4.017 1.00 0.63 C ATOM 1210 O LEU A 853 -7.366 -8.862 3.458 1.00 1.15 O ATOM 1211 CB LEU A 853 -8.076 -5.972 2.548 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.896 -4.715 1.680 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -7.018 -3.689 2.371 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -7.341 -5.064 0.306 1.00 1.56 C ATOM 0 H LEU A 853 -6.246 -7.335 1.346 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.400 -5.774 3.833 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.527 -6.749 1.931 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.789 -5.739 3.339 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.883 -4.273 1.540 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.910 -2.813 1.732 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -7.476 -3.395 3.315 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -6.036 -4.121 2.563 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -7.226 -4.153 -0.282 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -6.371 -5.549 0.418 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -8.028 -5.740 -0.203 1.00 1.56 H new ATOM 1226 N TYR A 854 -7.200 -7.644 5.331 1.00 0.99 N ATOM 1227 CA TYR A 854 -7.478 -8.778 6.192 1.00 1.08 C ATOM 1228 C TYR A 854 -8.089 -8.303 7.498 1.00 1.25 C ATOM 1229 O TYR A 854 -8.024 -7.091 7.770 1.00 1.67 O ATOM 1230 CB TYR A 854 -6.198 -9.596 6.442 1.00 0.91 C ATOM 1231 CG TYR A 854 -5.159 -8.916 7.314 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -5.331 -8.808 8.691 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -3.990 -8.413 6.763 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -4.376 -8.215 9.487 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -3.027 -7.824 7.555 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.226 -7.724 8.915 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.265 -7.141 9.708 1.00 0.92 O ATOM 1238 OXT TYR A 854 -8.646 -9.139 8.236 1.00 1.77 O ATOM 0 H TYR A 854 -7.030 -6.767 5.823 1.00 0.99 H new ATOM 0 HA TYR A 854 -8.196 -9.430 5.695 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -6.475 -10.543 6.906 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -5.743 -9.833 5.480 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -6.231 -9.197 9.144 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -3.831 -8.484 5.697 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -4.529 -8.136 10.553 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -2.120 -7.442 7.111 1.00 0.86 H new ATOM 0 HH TYR A 854 -1.546 -7.785 9.878 1.00 0.92 H new TER 1248 TYR A 854