USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 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= 0.866 K(o=0.17,f=-6.5!) USER MOD Set 1.2: A 838 LYS NZ :NH3+ -126:sc= -0.693 (180deg=-2.91!) USER MOD Set 2.1: A 818 TYR OH : rot 175:sc= -0.0503 USER MOD Set 2.2: A 840 MET CE :methyl -110:sc= -3.92! (180deg=-6.03!) USER MOD Set 3.1: A 782 THR OG1 : rot -60:sc= 0.92 USER MOD Set 3.2: A 819 GLN : amide:sc= -1.4 K(o=-0.26,f=2.6) USER MOD Set 3.3: A 850 ASN : amide:sc= 0.211! K(o=-0.26!,f=0.58) USER MOD Single : A 787 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00844) USER MOD Single : A 790 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.23) USER MOD Single : A 796 MET CE :methyl -162:sc= -0.157 (180deg=-0.633) USER MOD Single : A 799 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.58) USER MOD Single : A 800 SER OG : rot -78:sc= 0.531 USER MOD Single : A 801 LYS NZ :NH3+ 162:sc= -0.0984 (180deg=-0.4) USER MOD Single : A 814 THR OG1 : rot -0:sc= 0.994 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 830 SER OG : rot -48:sc= 0.298 USER MOD Single : A 844 ASN : amide:sc= 0.348 X(o=0.35,f=0) USER MOD Single : A 845 ASN : amide:sc= -0.0992 K(o=-0.099,f=-1) USER MOD Single : A 847 LYS NZ :NH3+ 167:sc= -0.0168 (180deg=-0.223) USER MOD Single : A 854 TYR OH : rot -19:sc= 0.0604 USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -8.424 -10.386 -1.326 1.00 0.78 N ATOM 15 CA GLU A 779 -8.408 -9.393 -2.372 1.00 0.85 C ATOM 16 C GLU A 779 -7.018 -8.793 -2.503 1.00 0.75 C ATOM 17 O GLU A 779 -6.467 -8.233 -1.550 1.00 1.17 O ATOM 18 CB GLU A 779 -9.465 -8.303 -2.110 1.00 1.60 C ATOM 19 CG GLU A 779 -9.540 -7.803 -0.666 1.00 1.95 C ATOM 20 CD GLU A 779 -10.359 -8.705 0.246 1.00 2.62 C ATOM 21 OE1 GLU A 779 -9.860 -9.776 0.652 1.00 2.92 O ATOM 22 OE2 GLU A 779 -11.518 -8.363 0.543 1.00 3.25 O ATOM 0 HA GLU A 779 -8.662 -9.876 -3.316 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -9.258 -7.454 -2.761 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -10.443 -8.692 -2.394 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.529 -7.717 -0.267 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -9.972 -6.802 -0.658 1.00 1.95 H new ATOM 29 N ILE A 780 -6.435 -8.990 -3.670 1.00 0.62 N ATOM 30 CA ILE A 780 -5.101 -8.503 -3.955 1.00 0.43 C ATOM 31 C ILE A 780 -5.192 -7.218 -4.762 1.00 0.37 C ATOM 32 O ILE A 780 -6.052 -7.076 -5.634 1.00 0.49 O ATOM 33 CB ILE A 780 -4.259 -9.561 -4.719 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.870 -9.018 -5.085 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.988 -10.034 -5.967 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.966 -8.791 -3.889 1.00 0.51 C ATOM 0 H ILE A 780 -6.872 -9.490 -4.444 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.598 -8.306 -3.008 1.00 0.43 H new ATOM 0 HB ILE A 780 -4.121 -10.412 -4.052 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.386 -9.717 -5.767 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.988 -8.077 -5.623 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -4.379 -10.774 -6.486 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.941 -10.482 -5.684 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -5.168 -9.185 -6.627 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -1.004 -8.407 -4.228 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.428 -8.069 -3.216 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.816 -9.733 -3.362 1.00 0.51 H new ATOM 48 N PHE A 781 -4.356 -6.265 -4.424 1.00 0.28 N ATOM 49 CA PHE A 781 -4.368 -4.977 -5.082 1.00 0.26 C ATOM 50 C PHE A 781 -2.966 -4.643 -5.552 1.00 0.22 C ATOM 51 O PHE A 781 -1.988 -5.054 -4.935 1.00 0.21 O ATOM 52 CB PHE A 781 -4.893 -3.897 -4.129 1.00 0.29 C ATOM 53 CG PHE A 781 -5.173 -2.585 -4.800 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.869 -2.536 -5.997 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.742 -1.399 -4.231 1.00 0.37 C ATOM 56 CE1 PHE A 781 -6.127 -1.331 -6.613 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.998 -0.190 -4.842 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.689 -0.164 -6.049 1.00 0.52 C ATOM 0 H PHE A 781 -3.653 -6.358 -3.691 1.00 0.28 H new ATOM 0 HA PHE A 781 -5.033 -5.016 -5.945 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.807 -4.256 -3.656 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.163 -3.740 -3.334 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -6.213 -3.453 -6.452 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.199 -1.421 -3.298 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.676 -1.308 -7.543 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.664 0.731 -4.387 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.880 0.778 -6.541 1.00 0.52 H new ATOM 68 N THR A 782 -2.872 -3.974 -6.684 1.00 0.23 N ATOM 69 CA THR A 782 -1.591 -3.657 -7.276 1.00 0.23 C ATOM 70 C THR A 782 -1.518 -2.163 -7.553 1.00 0.23 C ATOM 71 O THR A 782 -2.520 -1.537 -7.907 1.00 0.25 O ATOM 72 CB THR A 782 -1.377 -4.449 -8.582 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.412 -5.859 -8.306 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.053 -4.087 -9.235 1.00 1.34 C ATOM 0 H THR A 782 -3.676 -3.638 -7.215 1.00 0.23 H new ATOM 0 HA THR A 782 -0.803 -3.938 -6.577 1.00 0.23 H new ATOM 0 HB THR A 782 -2.179 -4.189 -9.272 1.00 0.29 H new ATOM 0 HG1 THR A 782 -0.701 -6.086 -7.671 1.00 1.39 H new ATOM 0 HG21 THR A 782 0.069 -4.662 -10.153 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.042 -3.022 -9.469 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.765 -4.317 -8.552 1.00 1.34 H new ATOM 82 N LEU A 783 -0.418 -1.570 -7.131 1.00 0.22 N ATOM 83 CA LEU A 783 -0.305 -0.131 -7.074 1.00 0.21 C ATOM 84 C LEU A 783 1.145 0.287 -7.296 1.00 0.21 C ATOM 85 O LEU A 783 2.065 -0.432 -6.919 1.00 0.23 O ATOM 86 CB LEU A 783 -0.807 0.341 -5.706 1.00 0.26 C ATOM 87 CG LEU A 783 -1.150 1.823 -5.588 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.175 2.223 -6.637 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.680 2.128 -4.198 1.00 0.61 C ATOM 0 H LEU A 783 0.415 -2.070 -6.821 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.908 0.327 -7.858 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.694 -0.237 -5.449 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.046 0.105 -4.962 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.241 2.401 -5.756 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.405 3.283 -6.535 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.771 2.033 -7.631 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -3.085 1.639 -6.498 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.921 3.188 -4.125 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.578 1.538 -4.013 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.922 1.877 -3.456 1.00 0.61 H new ATOM 101 N LEU A 784 1.354 1.424 -7.933 1.00 0.20 N ATOM 102 CA LEU A 784 2.704 1.907 -8.185 1.00 0.22 C ATOM 103 C LEU A 784 2.831 3.330 -7.668 1.00 0.21 C ATOM 104 O LEU A 784 2.038 4.198 -8.027 1.00 0.23 O ATOM 105 CB LEU A 784 3.027 1.868 -9.682 1.00 0.29 C ATOM 106 CG LEU A 784 4.239 1.014 -10.068 1.00 0.91 C ATOM 107 CD1 LEU A 784 3.940 -0.462 -9.870 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.652 1.292 -11.505 1.00 1.45 C ATOM 0 H LEU A 784 0.612 2.030 -8.285 1.00 0.20 H new ATOM 0 HA LEU A 784 3.411 1.260 -7.667 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.154 1.493 -10.216 1.00 0.29 H new ATOM 0 HB3 LEU A 784 3.197 2.888 -10.027 1.00 0.29 H new ATOM 0 HG LEU A 784 5.070 1.283 -9.416 1.00 0.91 H new ATOM 0 HD11 LEU A 784 4.813 -1.051 -10.150 1.00 1.53 H new ATOM 0 HD12 LEU A 784 3.698 -0.647 -8.823 1.00 1.53 H new ATOM 0 HD13 LEU A 784 3.094 -0.749 -10.494 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.514 0.676 -11.761 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.825 1.054 -12.174 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.913 2.345 -11.611 1.00 1.45 H new ATOM 120 N VAL A 785 3.728 3.523 -6.713 1.00 0.22 N ATOM 121 CA VAL A 785 3.846 4.803 -6.028 1.00 0.25 C ATOM 122 C VAL A 785 4.373 5.884 -6.972 1.00 0.34 C ATOM 123 O VAL A 785 5.284 5.644 -7.764 1.00 0.79 O ATOM 124 CB VAL A 785 4.738 4.685 -4.770 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.250 3.542 -3.896 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.199 4.485 -5.133 1.00 1.10 C ATOM 0 H VAL A 785 4.385 2.811 -6.394 1.00 0.22 H new ATOM 0 HA VAL A 785 2.848 5.097 -5.702 1.00 0.25 H new ATOM 0 HB VAL A 785 4.664 5.621 -4.217 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.883 3.464 -3.012 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.221 3.731 -3.591 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.296 2.609 -4.458 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.793 4.407 -4.222 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.307 3.571 -5.716 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.547 5.334 -5.721 1.00 1.10 H new ATOM 136 N GLU A 786 3.671 7.008 -7.011 1.00 0.69 N ATOM 137 CA GLU A 786 3.977 8.059 -7.971 1.00 0.81 C ATOM 138 C GLU A 786 4.888 9.125 -7.351 1.00 0.87 C ATOM 139 O GLU A 786 6.086 8.898 -7.172 1.00 1.56 O ATOM 140 CB GLU A 786 2.682 8.687 -8.493 1.00 0.99 C ATOM 141 CG GLU A 786 2.853 9.415 -9.816 1.00 1.51 C ATOM 142 CD GLU A 786 3.134 8.476 -10.974 1.00 2.26 C ATOM 143 OE1 GLU A 786 3.019 7.249 -10.787 1.00 3.06 O ATOM 144 OE2 GLU A 786 3.505 8.957 -12.066 1.00 2.59 O ATOM 0 H GLU A 786 2.888 7.215 -6.391 1.00 0.69 H new ATOM 0 HA GLU A 786 4.513 7.614 -8.809 1.00 0.81 H new ATOM 0 HB2 GLU A 786 1.931 7.906 -8.611 1.00 0.99 H new ATOM 0 HB3 GLU A 786 2.301 9.386 -7.749 1.00 0.99 H new ATOM 0 HG2 GLU A 786 1.950 9.987 -10.030 1.00 1.51 H new ATOM 0 HG3 GLU A 786 3.671 10.131 -9.728 1.00 1.51 H new ATOM 151 N LYS A 787 4.329 10.304 -7.085 1.00 0.91 N ATOM 152 CA LYS A 787 5.096 11.443 -6.575 1.00 1.01 C ATOM 153 C LYS A 787 5.433 11.294 -5.084 1.00 0.96 C ATOM 154 O LYS A 787 5.333 12.250 -4.315 1.00 1.58 O ATOM 155 CB LYS A 787 4.333 12.761 -6.836 1.00 1.17 C ATOM 156 CG LYS A 787 3.097 12.991 -5.959 1.00 1.21 C ATOM 157 CD LYS A 787 1.987 11.991 -6.236 1.00 1.35 C ATOM 158 CE LYS A 787 0.818 12.171 -5.277 1.00 1.27 C ATOM 159 NZ LYS A 787 0.100 13.457 -5.482 1.00 1.80 N ATOM 0 H LYS A 787 3.336 10.498 -7.216 1.00 0.91 H new ATOM 0 HA LYS A 787 6.043 11.469 -7.114 1.00 1.01 H new ATOM 0 HB2 LYS A 787 5.021 13.594 -6.690 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.025 12.781 -7.881 1.00 1.17 H new ATOM 0 HG2 LYS A 787 3.384 12.927 -4.909 1.00 1.21 H new ATOM 0 HG3 LYS A 787 2.721 14.000 -6.126 1.00 1.21 H new ATOM 0 HD2 LYS A 787 1.638 12.109 -7.262 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.379 10.978 -6.147 1.00 1.35 H new ATOM 0 HE2 LYS A 787 0.118 11.345 -5.404 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.184 12.124 -4.251 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -0.706 13.513 -4.827 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 0.749 14.249 -5.301 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 -0.246 13.509 -6.461 1.00 1.80 H new ATOM 173 N VAL A 788 5.927 10.116 -4.706 1.00 0.66 N ATOM 174 CA VAL A 788 6.367 9.858 -3.335 1.00 0.61 C ATOM 175 C VAL A 788 5.227 10.105 -2.343 1.00 0.70 C ATOM 176 O VAL A 788 5.209 11.104 -1.625 1.00 1.70 O ATOM 177 CB VAL A 788 7.600 10.714 -2.954 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.150 10.301 -1.596 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.680 10.600 -4.020 1.00 1.21 C ATOM 0 H VAL A 788 6.033 9.320 -5.335 1.00 0.66 H new ATOM 0 HA VAL A 788 6.660 8.809 -3.284 1.00 0.61 H new ATOM 0 HB VAL A 788 7.282 11.755 -2.891 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.015 10.917 -1.351 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.381 10.437 -0.835 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.448 9.253 -1.628 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.538 11.208 -3.735 1.00 1.21 H new ATOM 0 HG22 VAL A 788 8.989 9.559 -4.115 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.288 10.951 -4.974 1.00 1.21 H new ATOM 189 N TRP A 789 4.241 9.222 -2.381 1.00 0.50 N ATOM 190 CA TRP A 789 3.058 9.326 -1.532 1.00 0.33 C ATOM 191 C TRP A 789 3.432 9.398 -0.057 1.00 0.29 C ATOM 192 O TRP A 789 4.211 8.581 0.423 1.00 0.34 O ATOM 193 CB TRP A 789 2.174 8.104 -1.752 1.00 0.32 C ATOM 194 CG TRP A 789 1.575 8.026 -3.118 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.290 9.065 -3.955 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.189 6.837 -3.807 1.00 0.34 C ATOM 197 NE1 TRP A 789 0.733 8.593 -5.115 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.663 7.230 -5.048 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.236 5.478 -3.496 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.180 6.315 -5.969 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.757 4.569 -4.416 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.237 4.993 -5.643 1.00 0.44 C ATOM 0 H TRP A 789 4.236 8.412 -3.001 1.00 0.50 H new ATOM 0 HA TRP A 789 2.531 10.241 -1.801 1.00 0.33 H new ATOM 0 HB2 TRP A 789 2.764 7.205 -1.573 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.372 8.111 -1.014 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.476 10.106 -3.736 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.422 9.165 -5.900 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.640 5.144 -2.552 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 -0.229 6.639 -6.915 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.784 3.514 -4.185 1.00 0.40 H new ATOM 0 HH2 TRP A 789 -0.127 4.258 -6.346 1.00 0.44 H new ATOM 213 N ASN A 790 2.815 10.312 0.680 1.00 0.29 N ATOM 214 CA ASN A 790 3.057 10.408 2.119 1.00 0.32 C ATOM 215 C ASN A 790 1.999 9.619 2.899 1.00 0.37 C ATOM 216 O ASN A 790 1.403 10.121 3.855 1.00 0.82 O ATOM 217 CB ASN A 790 3.089 11.874 2.569 1.00 0.39 C ATOM 218 CG ASN A 790 3.547 12.023 4.009 1.00 1.20 C ATOM 219 OD1 ASN A 790 4.640 11.586 4.374 1.00 2.06 O ATOM 220 ND2 ASN A 790 2.721 12.646 4.833 1.00 1.79 N ATOM 0 H ASN A 790 2.149 10.992 0.313 1.00 0.29 H new ATOM 0 HA ASN A 790 4.032 9.969 2.331 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.757 12.438 1.917 1.00 0.39 H new ATOM 0 HB3 ASN A 790 2.095 12.308 2.459 1.00 0.39 H new ATOM 0 HD21 ASN A 790 2.980 12.780 5.810 1.00 1.79 H new ATOM 0 HD22 ASN A 790 1.825 12.993 4.491 1.00 1.79 H new ATOM 227 N PHE A 791 1.774 8.375 2.465 1.00 0.30 N ATOM 228 CA PHE A 791 0.813 7.451 3.094 1.00 0.25 C ATOM 229 C PHE A 791 -0.630 7.878 2.833 1.00 0.23 C ATOM 230 O PHE A 791 -1.410 7.105 2.293 1.00 0.21 O ATOM 231 CB PHE A 791 1.081 7.318 4.601 1.00 0.28 C ATOM 232 CG PHE A 791 0.111 6.434 5.340 1.00 0.30 C ATOM 233 CD1 PHE A 791 -0.240 5.197 4.821 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.460 6.839 6.537 1.00 0.42 C ATOM 235 CE1 PHE A 791 -1.137 4.382 5.482 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.359 6.026 7.200 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.659 4.808 6.737 1.00 0.42 C ATOM 0 H PHE A 791 2.256 7.973 1.661 1.00 0.30 H new ATOM 0 HA PHE A 791 0.954 6.472 2.636 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.088 6.927 4.743 1.00 0.28 H new ATOM 0 HB3 PHE A 791 1.059 8.312 5.049 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.194 4.867 3.888 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.199 7.800 6.955 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -1.438 3.437 5.055 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.827 6.380 8.107 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.294 4.150 7.312 1.00 0.42 H new ATOM 247 N ASP A 792 -0.952 9.123 3.147 1.00 0.26 N ATOM 248 CA ASP A 792 -2.289 9.665 2.909 1.00 0.29 C ATOM 249 C ASP A 792 -2.616 9.625 1.416 1.00 0.25 C ATOM 250 O ASP A 792 -3.689 9.176 1.015 1.00 0.26 O ATOM 251 CB ASP A 792 -2.359 11.099 3.444 1.00 0.38 C ATOM 252 CG ASP A 792 -3.749 11.711 3.403 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.707 11.031 2.986 1.00 1.74 O ATOM 254 OD2 ASP A 792 -3.885 12.887 3.807 1.00 1.86 O ATOM 0 H ASP A 792 -0.302 9.785 3.571 1.00 0.26 H new ATOM 0 HA ASP A 792 -3.027 9.057 3.433 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -2.000 11.109 4.473 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.681 11.725 2.864 1.00 0.38 H new ATOM 259 N ASP A 793 -1.631 9.983 0.597 1.00 0.24 N ATOM 260 CA ASP A 793 -1.765 9.922 -0.862 1.00 0.23 C ATOM 261 C ASP A 793 -1.955 8.480 -1.326 1.00 0.19 C ATOM 262 O ASP A 793 -2.795 8.181 -2.176 1.00 0.18 O ATOM 263 CB ASP A 793 -0.518 10.497 -1.540 1.00 0.28 C ATOM 264 CG ASP A 793 -0.235 11.931 -1.156 1.00 0.75 C ATOM 265 OD1 ASP A 793 -1.051 12.809 -1.508 1.00 1.16 O ATOM 266 OD2 ASP A 793 0.801 12.185 -0.508 1.00 1.36 O ATOM 0 H ASP A 793 -0.724 10.321 0.918 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.639 10.512 -1.140 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.344 9.882 -1.281 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.640 10.435 -2.621 1.00 0.28 H new ATOM 271 N LEU A 794 -1.189 7.586 -0.723 1.00 0.18 N ATOM 272 CA LEU A 794 -1.280 6.169 -1.017 1.00 0.17 C ATOM 273 C LEU A 794 -2.660 5.638 -0.622 1.00 0.16 C ATOM 274 O LEU A 794 -3.297 4.918 -1.389 1.00 0.16 O ATOM 275 CB LEU A 794 -0.134 5.439 -0.291 1.00 0.19 C ATOM 276 CG LEU A 794 -0.410 4.003 0.155 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.493 3.065 -1.039 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.665 3.535 1.126 1.00 0.22 C ATOM 0 H LEU A 794 -0.490 7.823 -0.019 1.00 0.18 H new ATOM 0 HA LEU A 794 -1.171 5.990 -2.087 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.735 5.430 -0.949 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.138 6.022 0.589 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.374 3.986 0.664 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.690 2.051 -0.692 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.299 3.386 -1.698 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.451 3.085 -1.584 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.455 2.511 1.435 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.639 3.575 0.638 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.672 4.184 2.002 1.00 0.22 H new ATOM 290 N ILE A 795 -3.161 6.093 0.520 1.00 0.18 N ATOM 291 CA ILE A 795 -4.491 5.718 0.985 1.00 0.20 C ATOM 292 C ILE A 795 -5.581 6.242 0.050 1.00 0.19 C ATOM 293 O ILE A 795 -6.491 5.502 -0.308 1.00 0.20 O ATOM 294 CB ILE A 795 -4.754 6.215 2.427 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.825 5.501 3.414 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.210 6.000 2.825 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.958 3.991 3.395 1.00 0.48 C ATOM 0 H ILE A 795 -2.662 6.726 1.145 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.526 4.629 0.984 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.548 7.285 2.457 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.793 5.769 3.186 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.033 5.862 4.421 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.366 6.358 3.843 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.859 6.550 2.143 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.448 4.938 2.774 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.269 3.556 4.119 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.980 3.712 3.653 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.721 3.617 2.399 1.00 0.48 H new ATOM 309 N MET A 796 -5.488 7.509 -0.355 1.00 0.22 N ATOM 310 CA MET A 796 -6.502 8.096 -1.239 1.00 0.26 C ATOM 311 C MET A 796 -6.543 7.354 -2.576 1.00 0.22 C ATOM 312 O MET A 796 -7.624 7.080 -3.108 1.00 0.23 O ATOM 313 CB MET A 796 -6.270 9.605 -1.451 1.00 0.38 C ATOM 314 CG MET A 796 -5.113 9.951 -2.376 1.00 0.93 C ATOM 315 SD MET A 796 -4.860 11.729 -2.559 1.00 2.03 S ATOM 316 CE MET A 796 -6.419 12.222 -3.294 1.00 2.69 C ATOM 0 H MET A 796 -4.734 8.143 -0.091 1.00 0.22 H new ATOM 0 HA MET A 796 -7.471 7.984 -0.752 1.00 0.26 H new ATOM 0 HB2 MET A 796 -7.182 10.045 -1.854 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.093 10.070 -0.481 1.00 0.38 H new ATOM 0 HG2 MET A 796 -4.200 9.498 -1.991 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.297 9.513 -3.357 1.00 0.93 H new ATOM 0 HE1 MET A 796 -6.309 13.203 -3.756 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.710 11.495 -4.052 1.00 2.69 H new ATOM 0 HE3 MET A 796 -7.187 12.268 -2.522 1.00 2.69 H new ATOM 326 N ALA A 797 -5.374 6.934 -3.060 1.00 0.21 N ATOM 327 CA ALA A 797 -5.297 6.130 -4.274 1.00 0.22 C ATOM 328 C ALA A 797 -5.986 4.784 -4.064 1.00 0.21 C ATOM 329 O ALA A 797 -6.828 4.369 -4.865 1.00 0.26 O ATOM 330 CB ALA A 797 -3.849 5.926 -4.688 1.00 0.27 C ATOM 0 H ALA A 797 -4.472 7.138 -2.630 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.811 6.663 -5.074 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.812 5.324 -5.596 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.384 6.894 -4.875 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.311 5.414 -3.890 1.00 0.27 H new ATOM 336 N ILE A 798 -5.695 4.159 -2.926 1.00 0.20 N ATOM 337 CA ILE A 798 -6.340 2.909 -2.537 1.00 0.26 C ATOM 338 C ILE A 798 -7.851 3.091 -2.437 1.00 0.27 C ATOM 339 O ILE A 798 -8.624 2.252 -2.901 1.00 0.33 O ATOM 340 CB ILE A 798 -5.815 2.410 -1.169 1.00 0.31 C ATOM 341 CG1 ILE A 798 -4.334 2.040 -1.256 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.625 1.219 -0.687 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.737 1.619 0.071 1.00 0.67 C ATOM 0 H ILE A 798 -5.010 4.502 -2.252 1.00 0.20 H new ATOM 0 HA ILE A 798 -6.104 2.173 -3.306 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.926 3.222 -0.450 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -4.212 1.229 -1.974 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.777 2.894 -1.642 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -6.240 0.883 0.276 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.670 1.509 -0.579 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.547 0.409 -1.412 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.684 1.371 -0.066 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.827 2.437 0.786 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -4.269 0.746 0.449 1.00 0.67 H new ATOM 355 N ASN A 799 -8.250 4.169 -1.780 1.00 0.27 N ATOM 356 CA ASN A 799 -9.654 4.449 -1.514 1.00 0.33 C ATOM 357 C ASN A 799 -10.461 4.560 -2.797 1.00 0.31 C ATOM 358 O ASN A 799 -11.544 3.989 -2.902 1.00 0.40 O ATOM 359 CB ASN A 799 -9.793 5.738 -0.703 1.00 0.40 C ATOM 360 CG ASN A 799 -9.400 5.576 0.756 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.243 6.559 1.476 1.00 1.21 O ATOM 362 ND2 ASN A 799 -9.265 4.337 1.210 1.00 0.70 N ATOM 0 H ASN A 799 -7.610 4.875 -1.416 1.00 0.27 H new ATOM 0 HA ASN A 799 -10.050 3.612 -0.939 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.173 6.512 -1.155 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.825 6.084 -0.758 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.023 4.176 2.188 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.403 3.546 0.582 1.00 0.70 H new ATOM 369 N SER A 800 -9.955 5.325 -3.750 1.00 0.30 N ATOM 370 CA SER A 800 -10.654 5.521 -5.010 1.00 0.35 C ATOM 371 C SER A 800 -10.685 4.237 -5.839 1.00 0.33 C ATOM 372 O SER A 800 -11.716 3.884 -6.417 1.00 0.41 O ATOM 373 CB SER A 800 -10.004 6.661 -5.799 1.00 0.44 C ATOM 374 OG SER A 800 -8.589 6.552 -5.789 1.00 1.29 O ATOM 0 H SER A 800 -9.066 5.819 -3.676 1.00 0.30 H new ATOM 0 HA SER A 800 -11.687 5.790 -4.787 1.00 0.35 H new ATOM 0 HB2 SER A 800 -10.365 6.647 -6.827 1.00 0.44 H new ATOM 0 HB3 SER A 800 -10.300 7.618 -5.370 1.00 0.44 H new ATOM 0 HG SER A 800 -8.243 6.869 -4.929 1.00 1.29 H new ATOM 380 N LYS A 801 -9.532 3.592 -5.969 1.00 0.29 N ATOM 381 CA LYS A 801 -9.410 2.413 -6.818 1.00 0.36 C ATOM 382 C LYS A 801 -10.168 1.202 -6.264 1.00 0.43 C ATOM 383 O LYS A 801 -10.885 0.525 -7.004 1.00 0.58 O ATOM 384 CB LYS A 801 -7.945 2.084 -7.055 1.00 0.43 C ATOM 385 CG LYS A 801 -7.224 3.197 -7.794 1.00 0.86 C ATOM 386 CD LYS A 801 -5.859 2.761 -8.280 1.00 1.06 C ATOM 387 CE LYS A 801 -5.958 1.753 -9.414 1.00 1.13 C ATOM 388 NZ LYS A 801 -6.651 2.321 -10.601 1.00 1.95 N ATOM 0 H LYS A 801 -8.669 3.865 -5.498 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.877 2.653 -7.773 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.454 1.907 -6.098 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.869 1.160 -7.628 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.826 3.518 -8.644 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -7.117 4.059 -7.136 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -5.298 3.633 -8.617 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.301 2.323 -7.452 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -4.958 1.427 -9.699 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -6.495 0.869 -9.069 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -6.438 1.741 -11.438 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -7.678 2.325 -10.435 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -6.323 3.295 -10.762 1.00 1.95 H new ATOM 402 N ILE A 802 -10.034 0.938 -4.969 1.00 0.39 N ATOM 403 CA ILE A 802 -10.748 -0.172 -4.342 1.00 0.52 C ATOM 404 C ILE A 802 -12.207 0.207 -4.086 1.00 0.70 C ATOM 405 O ILE A 802 -12.506 1.340 -3.703 1.00 1.56 O ATOM 406 CB ILE A 802 -10.080 -0.619 -3.015 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.663 -1.146 -3.277 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.917 -1.683 -2.314 1.00 0.71 C ATOM 409 CD1 ILE A 802 -7.979 -1.703 -2.044 1.00 0.71 C ATOM 0 H ILE A 802 -9.441 1.473 -4.334 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.707 -1.012 -5.035 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.015 0.251 -2.361 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.710 -1.925 -4.038 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.055 -0.339 -3.685 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.427 -1.979 -1.387 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.904 -1.280 -2.090 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.019 -2.552 -2.964 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -6.982 -2.056 -2.309 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -7.898 -0.922 -1.288 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.564 -2.533 -1.647 1.00 0.71 H new ATOM 550 N PRO A 812 -9.400 1.269 4.221 1.00 0.88 N ATOM 551 CA PRO A 812 -9.232 -0.109 3.748 1.00 0.80 C ATOM 552 C PRO A 812 -9.063 -1.086 4.908 1.00 0.77 C ATOM 553 O PRO A 812 -8.089 -1.837 4.967 1.00 0.82 O ATOM 554 CB PRO A 812 -7.958 -0.055 2.887 1.00 0.77 C ATOM 555 CG PRO A 812 -7.623 1.397 2.749 1.00 0.75 C ATOM 556 CD PRO A 812 -8.209 2.078 3.949 1.00 0.82 C ATOM 0 HA PRO A 812 -10.103 -0.462 3.195 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -7.142 -0.602 3.360 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -8.125 -0.513 1.912 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.544 1.545 2.706 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -8.038 1.806 1.828 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.518 2.080 4.792 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.463 3.118 3.742 1.00 0.82 H new ATOM 564 N ILE A 813 -9.976 -0.989 5.879 1.00 0.87 N ATOM 565 CA ILE A 813 -9.950 -1.798 7.102 1.00 0.96 C ATOM 566 C ILE A 813 -8.804 -1.355 8.027 1.00 0.96 C ATOM 567 O ILE A 813 -8.691 -1.827 9.154 1.00 1.64 O ATOM 568 CB ILE A 813 -9.826 -3.321 6.793 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.807 -3.736 5.686 1.00 1.46 C ATOM 570 CG2 ILE A 813 -10.081 -4.157 8.042 1.00 1.22 C ATOM 571 CD1 ILE A 813 -12.264 -3.497 6.030 1.00 1.67 C ATOM 0 H ILE A 813 -10.762 -0.340 5.838 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.901 -1.636 7.610 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.807 -3.503 6.451 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.565 -3.187 4.776 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -10.665 -4.794 5.467 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.988 -5.215 7.797 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -9.352 -3.897 8.809 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -11.086 -3.958 8.414 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.891 -3.816 5.198 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -12.526 -4.068 6.921 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -12.424 -2.435 6.219 1.00 1.67 H new ATOM 583 N THR A 814 -7.916 -0.504 7.495 1.00 0.83 N ATOM 584 CA THR A 814 -6.693 -0.043 8.176 1.00 0.84 C ATOM 585 C THR A 814 -5.779 -1.213 8.522 1.00 0.71 C ATOM 586 O THR A 814 -4.792 -1.057 9.236 1.00 1.08 O ATOM 587 CB THR A 814 -6.971 0.798 9.452 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.598 0.010 10.473 1.00 1.03 O ATOM 589 CG2 THR A 814 -7.849 1.993 9.127 1.00 1.90 C ATOM 0 H THR A 814 -8.028 -0.108 6.562 1.00 0.83 H new ATOM 0 HA THR A 814 -6.195 0.613 7.462 1.00 0.84 H new ATOM 0 HB THR A 814 -6.008 1.148 9.824 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.724 -0.906 10.148 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.031 2.568 10.035 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.348 2.623 8.392 1.00 1.90 H new ATOM 0 HG23 THR A 814 -8.799 1.647 8.720 1.00 1.90 H new ATOM 597 N LYS A 815 -6.093 -2.375 7.968 1.00 0.61 N ATOM 598 CA LYS A 815 -5.310 -3.575 8.190 1.00 0.82 C ATOM 599 C LYS A 815 -4.616 -3.973 6.906 1.00 0.88 C ATOM 600 O LYS A 815 -4.743 -5.103 6.440 1.00 1.68 O ATOM 601 CB LYS A 815 -6.208 -4.718 8.669 1.00 1.16 C ATOM 602 CG LYS A 815 -6.903 -4.462 10.002 1.00 1.29 C ATOM 603 CD LYS A 815 -5.923 -4.457 11.168 1.00 1.45 C ATOM 604 CE LYS A 815 -5.258 -3.100 11.357 1.00 1.74 C ATOM 605 NZ LYS A 815 -4.144 -3.153 12.342 1.00 2.52 N ATOM 0 H LYS A 815 -6.896 -2.509 7.354 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.565 -3.372 8.959 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.966 -4.910 7.910 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.607 -5.623 8.755 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -7.422 -3.504 9.961 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -7.660 -5.228 10.169 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -6.448 -4.732 12.083 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -5.157 -5.214 11.000 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -4.877 -2.747 10.399 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -6.002 -2.376 11.690 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -3.721 -2.208 12.439 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -4.510 -3.464 13.264 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -3.421 -3.824 12.012 1.00 2.52 H new ATOM 619 N ILE A 816 -3.997 -3.008 6.263 1.00 0.43 N ATOM 620 CA ILE A 816 -3.382 -3.261 4.985 1.00 0.34 C ATOM 621 C ILE A 816 -1.980 -3.829 5.154 1.00 0.30 C ATOM 622 O ILE A 816 -1.171 -3.340 5.954 1.00 0.33 O ATOM 623 CB ILE A 816 -3.335 -2.000 4.085 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.412 -0.929 4.672 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.734 -1.433 3.889 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.248 0.283 3.777 1.00 1.06 C ATOM 0 H ILE A 816 -3.908 -2.050 6.602 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.010 -3.999 4.485 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.934 -2.300 3.117 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.807 -0.608 5.636 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.432 -1.368 4.859 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.682 -0.548 3.255 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.367 -2.183 3.415 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.155 -1.162 4.857 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.582 1.001 4.255 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.824 -0.025 2.821 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.220 0.746 3.610 1.00 1.06 H new ATOM 638 N LYS A 817 -1.663 -4.761 4.288 1.00 0.26 N ATOM 639 CA LYS A 817 -0.337 -5.319 4.220 1.00 0.24 C ATOM 640 C LYS A 817 0.122 -5.190 2.788 1.00 0.23 C ATOM 641 O LYS A 817 -0.706 -5.075 1.888 1.00 0.24 O ATOM 642 CB LYS A 817 -0.315 -6.779 4.688 1.00 0.33 C ATOM 643 CG LYS A 817 1.089 -7.266 4.995 1.00 0.74 C ATOM 644 CD LYS A 817 1.107 -8.525 5.849 1.00 0.68 C ATOM 645 CE LYS A 817 0.690 -9.759 5.071 1.00 1.18 C ATOM 646 NZ LYS A 817 0.960 -11.003 5.839 1.00 1.35 N ATOM 0 H LYS A 817 -2.318 -5.153 3.611 1.00 0.26 H new ATOM 0 HA LYS A 817 0.337 -4.782 4.888 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -0.935 -6.882 5.578 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -0.756 -7.412 3.918 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.613 -7.461 4.059 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.637 -6.477 5.509 1.00 0.74 H new ATOM 0 HD2 LYS A 817 2.109 -8.674 6.251 1.00 0.68 H new ATOM 0 HD3 LYS A 817 0.439 -8.393 6.700 1.00 0.68 H new ATOM 0 HE2 LYS A 817 -0.372 -9.700 4.834 1.00 1.18 H new ATOM 0 HE3 LYS A 817 1.227 -9.792 4.123 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 0.664 -11.828 5.279 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 1.977 -11.071 6.043 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.428 -10.982 6.732 1.00 1.35 H new ATOM 660 N TYR A 818 1.392 -4.926 2.614 1.00 0.20 N ATOM 661 CA TYR A 818 1.882 -4.463 1.338 1.00 0.19 C ATOM 662 C TYR A 818 3.023 -5.334 0.864 1.00 0.18 C ATOM 663 O TYR A 818 3.712 -5.977 1.659 1.00 0.19 O ATOM 664 CB TYR A 818 2.304 -2.980 1.411 1.00 0.20 C ATOM 665 CG TYR A 818 3.659 -2.724 2.048 1.00 0.20 C ATOM 666 CD1 TYR A 818 4.831 -2.829 1.310 1.00 0.23 C ATOM 667 CD2 TYR A 818 3.762 -2.404 3.396 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.063 -2.614 1.893 1.00 0.25 C ATOM 669 CE2 TYR A 818 4.990 -2.182 3.984 1.00 0.27 C ATOM 670 CZ TYR A 818 6.140 -2.225 3.200 1.00 0.26 C ATOM 671 OH TYR A 818 7.365 -2.070 3.813 1.00 0.30 O ATOM 0 H TYR A 818 2.105 -5.023 3.337 1.00 0.20 H new ATOM 0 HA TYR A 818 1.073 -4.538 0.612 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.312 -2.571 0.401 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.547 -2.431 1.971 1.00 0.20 H new ATOM 0 HD1 TYR A 818 4.777 -3.083 0.262 1.00 0.23 H new ATOM 0 HD2 TYR A 818 2.866 -2.328 3.994 1.00 0.25 H new ATOM 0 HE1 TYR A 818 6.966 -2.753 1.316 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.059 -1.977 5.042 1.00 0.27 H new ATOM 0 HH TYR A 818 7.236 -1.709 4.715 1.00 0.30 H new ATOM 681 N GLN A 819 3.098 -5.472 -0.438 1.00 0.17 N ATOM 682 CA GLN A 819 4.037 -6.372 -1.063 1.00 0.19 C ATOM 683 C GLN A 819 4.846 -5.604 -2.081 1.00 0.19 C ATOM 684 O GLN A 819 4.385 -4.606 -2.625 1.00 0.18 O ATOM 685 CB GLN A 819 3.292 -7.530 -1.745 1.00 0.22 C ATOM 686 CG GLN A 819 4.195 -8.493 -2.506 1.00 0.35 C ATOM 687 CD GLN A 819 3.424 -9.391 -3.459 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.476 -10.066 -3.074 1.00 1.08 O ATOM 689 NE2 GLN A 819 3.822 -9.402 -4.718 1.00 0.90 N ATOM 0 H GLN A 819 2.508 -4.962 -1.095 1.00 0.17 H new ATOM 0 HA GLN A 819 4.700 -6.791 -0.306 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.741 -8.088 -0.988 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.556 -7.117 -2.435 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.935 -7.923 -3.068 1.00 0.35 H new ATOM 0 HG3 GLN A 819 4.742 -9.111 -1.794 1.00 0.35 H new ATOM 0 HE21 GLN A 819 4.615 -8.829 -5.007 1.00 0.90 H new ATOM 0 HE22 GLN A 819 3.337 -9.984 -5.401 1.00 0.90 H new ATOM 698 N ASP A 820 6.098 -5.978 -2.199 1.00 0.22 N ATOM 699 CA ASP A 820 7.051 -5.211 -2.968 1.00 0.24 C ATOM 700 C ASP A 820 7.723 -6.108 -3.983 1.00 0.28 C ATOM 701 O ASP A 820 7.726 -7.333 -3.819 1.00 0.38 O ATOM 702 CB ASP A 820 8.096 -4.563 -2.056 1.00 0.31 C ATOM 703 CG ASP A 820 9.302 -5.448 -1.815 1.00 0.96 C ATOM 704 OD1 ASP A 820 10.185 -5.507 -2.697 1.00 1.38 O ATOM 705 OD2 ASP A 820 9.359 -6.100 -0.757 1.00 1.73 O ATOM 0 H ASP A 820 6.484 -6.818 -1.768 1.00 0.22 H new ATOM 0 HA ASP A 820 6.519 -4.414 -3.487 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.425 -3.623 -2.500 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.634 -4.319 -1.099 1.00 0.31 H new ATOM 710 N GLU A 821 8.065 -5.488 -5.111 1.00 0.28 N ATOM 711 CA GLU A 821 8.622 -6.122 -6.309 1.00 0.38 C ATOM 712 C GLU A 821 9.505 -7.336 -6.008 1.00 0.85 C ATOM 713 O GLU A 821 9.486 -8.319 -6.751 1.00 0.63 O ATOM 714 CB GLU A 821 9.438 -5.057 -7.042 1.00 1.20 C ATOM 715 CG GLU A 821 9.468 -5.189 -8.550 1.00 1.63 C ATOM 716 CD GLU A 821 9.944 -3.907 -9.206 1.00 2.62 C ATOM 717 OE1 GLU A 821 9.297 -2.856 -9.021 1.00 3.38 O ATOM 718 OE2 GLU A 821 10.964 -3.951 -9.927 1.00 3.04 O ATOM 0 H GLU A 821 7.957 -4.480 -5.222 1.00 0.28 H new ATOM 0 HA GLU A 821 7.798 -6.502 -6.913 1.00 0.38 H new ATOM 0 HB2 GLU A 821 9.036 -4.076 -6.788 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.462 -5.088 -6.671 1.00 1.20 H new ATOM 0 HG2 GLU A 821 10.126 -6.011 -8.832 1.00 1.63 H new ATOM 0 HG3 GLU A 821 8.472 -5.439 -8.915 1.00 1.63 H new ATOM 725 N ASP A 822 10.263 -7.266 -4.923 1.00 1.90 N ATOM 726 CA ASP A 822 11.160 -8.362 -4.535 1.00 2.86 C ATOM 727 C ASP A 822 10.378 -9.650 -4.263 1.00 2.24 C ATOM 728 O ASP A 822 10.891 -10.755 -4.432 1.00 2.49 O ATOM 729 CB ASP A 822 11.961 -7.990 -3.285 1.00 3.96 C ATOM 730 CG ASP A 822 13.104 -8.952 -3.014 1.00 5.04 C ATOM 731 OD1 ASP A 822 13.520 -9.670 -3.948 1.00 5.45 O ATOM 732 OD2 ASP A 822 13.573 -9.025 -1.858 1.00 5.63 O ATOM 0 H ASP A 822 10.280 -6.465 -4.292 1.00 1.90 H new ATOM 0 HA ASP A 822 11.842 -8.531 -5.368 1.00 2.86 H new ATOM 0 HB2 ASP A 822 12.359 -6.982 -3.400 1.00 3.96 H new ATOM 0 HB3 ASP A 822 11.294 -7.972 -2.423 1.00 3.96 H new ATOM 737 N GLY A 823 9.155 -9.495 -3.781 1.00 1.39 N ATOM 738 CA GLY A 823 8.339 -10.635 -3.405 1.00 0.79 C ATOM 739 C GLY A 823 8.257 -10.766 -1.903 1.00 0.74 C ATOM 740 O GLY A 823 8.603 -11.803 -1.338 1.00 0.91 O ATOM 0 H GLY A 823 8.707 -8.589 -3.641 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.337 -10.523 -3.820 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.760 -11.545 -3.831 1.00 0.79 H new ATOM 744 N ASP A 824 7.954 -9.653 -1.254 1.00 0.55 N ATOM 745 CA ASP A 824 8.018 -9.567 0.204 1.00 0.53 C ATOM 746 C ASP A 824 6.787 -8.876 0.766 1.00 0.40 C ATOM 747 O ASP A 824 6.160 -8.075 0.077 1.00 0.32 O ATOM 748 CB ASP A 824 9.283 -8.837 0.652 1.00 0.61 C ATOM 749 CG ASP A 824 9.496 -8.922 2.149 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.594 -10.045 2.684 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.561 -7.858 2.802 1.00 1.47 O ATOM 0 H ASP A 824 7.660 -8.791 -1.713 1.00 0.55 H new ATOM 0 HA ASP A 824 8.048 -10.585 0.593 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.146 -9.262 0.140 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.220 -7.790 0.355 1.00 0.61 H new ATOM 756 N PHE A 825 6.395 -9.257 1.978 1.00 0.43 N ATOM 757 CA PHE A 825 5.175 -8.736 2.589 1.00 0.38 C ATOM 758 C PHE A 825 5.474 -8.092 3.936 1.00 0.40 C ATOM 759 O PHE A 825 6.172 -8.649 4.787 1.00 0.47 O ATOM 760 CB PHE A 825 4.150 -9.850 2.827 1.00 0.47 C ATOM 761 CG PHE A 825 3.220 -10.123 1.682 1.00 0.49 C ATOM 762 CD1 PHE A 825 3.590 -11.001 0.674 1.00 0.91 C ATOM 763 CD2 PHE A 825 2.007 -9.468 1.582 1.00 0.55 C ATOM 764 CE1 PHE A 825 2.765 -11.222 -0.408 1.00 1.16 C ATOM 765 CE2 PHE A 825 1.174 -9.689 0.503 1.00 0.80 C ATOM 766 CZ PHE A 825 1.449 -10.687 -0.378 1.00 1.04 C ATOM 0 H PHE A 825 6.904 -9.925 2.557 1.00 0.43 H new ATOM 0 HA PHE A 825 4.770 -7.999 1.896 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.686 -10.769 3.065 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.555 -9.592 3.703 1.00 0.47 H new ATOM 0 HD1 PHE A 825 4.536 -11.518 0.738 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.708 -8.776 2.356 1.00 0.55 H new ATOM 0 HE1 PHE A 825 3.111 -11.789 -1.259 1.00 1.16 H new ATOM 0 HE2 PHE A 825 0.302 -9.068 0.359 1.00 0.80 H new ATOM 0 HZ PHE A 825 0.684 -11.065 -1.040 1.00 1.04 H new ATOM 776 N VAL A 826 4.974 -6.876 4.070 1.00 0.35 N ATOM 777 CA VAL A 826 5.178 -6.030 5.235 1.00 0.39 C ATOM 778 C VAL A 826 3.876 -5.295 5.513 1.00 0.31 C ATOM 779 O VAL A 826 3.090 -5.095 4.596 1.00 0.29 O ATOM 780 CB VAL A 826 6.312 -4.997 5.020 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.488 -4.117 6.249 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.619 -5.683 4.667 1.00 0.95 C ATOM 0 H VAL A 826 4.398 -6.437 3.352 1.00 0.35 H new ATOM 0 HA VAL A 826 5.471 -6.660 6.075 1.00 0.39 H new ATOM 0 HB VAL A 826 6.025 -4.362 4.182 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.290 -3.401 6.072 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.560 -3.581 6.448 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.740 -4.738 7.108 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.396 -4.933 4.522 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.908 -6.353 5.476 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.493 -6.256 3.749 1.00 0.95 H new ATOM 792 N VAL A 827 3.583 -4.994 6.760 1.00 0.33 N ATOM 793 CA VAL A 827 2.288 -4.432 7.102 1.00 0.32 C ATOM 794 C VAL A 827 2.479 -3.102 7.811 1.00 0.35 C ATOM 795 O VAL A 827 3.483 -2.893 8.496 1.00 0.40 O ATOM 796 CB VAL A 827 1.490 -5.401 8.006 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.251 -5.694 9.290 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.107 -4.853 8.317 1.00 1.22 C ATOM 0 H VAL A 827 4.215 -5.126 7.549 1.00 0.33 H new ATOM 0 HA VAL A 827 1.723 -4.277 6.183 1.00 0.32 H new ATOM 0 HB VAL A 827 1.365 -6.336 7.460 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.670 -6.377 9.909 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.211 -6.150 9.048 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.418 -4.764 9.834 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.429 -5.557 8.954 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.202 -3.897 8.832 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.446 -4.711 7.388 1.00 1.22 H new ATOM 808 N LEU A 828 1.676 -2.127 7.402 1.00 0.34 N ATOM 809 CA LEU A 828 1.931 -0.747 7.782 1.00 0.38 C ATOM 810 C LEU A 828 0.698 -0.086 8.373 1.00 0.44 C ATOM 811 O LEU A 828 -0.437 -0.489 8.103 1.00 0.48 O ATOM 812 CB LEU A 828 2.457 0.052 6.569 1.00 0.38 C ATOM 813 CG LEU A 828 1.488 0.244 5.390 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.523 1.393 5.648 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.259 0.500 4.106 1.00 0.96 C ATOM 0 H LEU A 828 0.854 -2.265 6.815 1.00 0.34 H new ATOM 0 HA LEU A 828 2.695 -0.751 8.559 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.765 1.037 6.919 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.351 -0.447 6.196 1.00 0.38 H new ATOM 0 HG LEU A 828 0.909 -0.674 5.286 1.00 0.39 H new ATOM 0 HD11 LEU A 828 -0.148 1.503 4.796 1.00 1.03 H new ATOM 0 HD12 LEU A 828 -0.060 1.184 6.545 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.085 2.316 5.788 1.00 1.03 H new ATOM 0 HD21 LEU A 828 1.559 0.634 3.282 1.00 0.96 H new ATOM 0 HD22 LEU A 828 2.864 1.400 4.218 1.00 0.96 H new ATOM 0 HD23 LEU A 828 2.909 -0.350 3.896 1.00 0.96 H new ATOM 827 N GLY A 829 0.935 0.948 9.158 1.00 0.53 N ATOM 828 CA GLY A 829 -0.144 1.704 9.747 1.00 0.63 C ATOM 829 C GLY A 829 0.355 2.708 10.765 1.00 0.73 C ATOM 830 O GLY A 829 -0.320 2.973 11.760 1.00 1.20 O ATOM 0 H GLY A 829 1.868 1.281 9.400 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.692 2.226 8.962 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.846 1.021 10.226 1.00 0.63 H new ATOM 834 N SER A 830 1.551 3.242 10.541 1.00 0.74 N ATOM 835 CA SER A 830 2.143 4.187 11.473 1.00 0.85 C ATOM 836 C SER A 830 3.149 5.098 10.763 1.00 0.98 C ATOM 837 O SER A 830 4.035 5.666 11.402 1.00 1.93 O ATOM 838 CB SER A 830 2.822 3.427 12.620 1.00 0.89 C ATOM 839 OG SER A 830 3.125 4.288 13.707 1.00 1.58 O ATOM 0 H SER A 830 2.126 3.036 9.724 1.00 0.74 H new ATOM 0 HA SER A 830 1.352 4.816 11.881 1.00 0.85 H new ATOM 0 HB2 SER A 830 2.170 2.623 12.962 1.00 0.89 H new ATOM 0 HB3 SER A 830 3.738 2.961 12.257 1.00 0.89 H new ATOM 0 HG SER A 830 3.570 5.094 13.372 1.00 1.58 H new ATOM 845 N ASP A 831 2.925 5.312 9.462 1.00 0.62 N ATOM 846 CA ASP A 831 3.730 6.238 8.639 1.00 0.62 C ATOM 847 C ASP A 831 5.178 5.765 8.457 1.00 0.58 C ATOM 848 O ASP A 831 5.665 5.669 7.331 1.00 0.97 O ATOM 849 CB ASP A 831 3.720 7.658 9.225 1.00 0.86 C ATOM 850 CG ASP A 831 2.388 8.369 9.056 1.00 1.20 C ATOM 851 OD1 ASP A 831 1.367 7.862 9.574 1.00 1.79 O ATOM 852 OD2 ASP A 831 2.345 9.422 8.388 1.00 1.74 O ATOM 0 H ASP A 831 2.179 4.849 8.943 1.00 0.62 H new ATOM 0 HA ASP A 831 3.259 6.251 7.656 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.965 7.607 10.286 1.00 0.86 H new ATOM 0 HB3 ASP A 831 4.502 8.247 8.745 1.00 0.86 H new ATOM 857 N GLU A 832 5.863 5.506 9.568 1.00 0.50 N ATOM 858 CA GLU A 832 7.266 5.096 9.559 1.00 0.44 C ATOM 859 C GLU A 832 7.453 3.837 8.715 1.00 0.34 C ATOM 860 O GLU A 832 8.331 3.777 7.855 1.00 0.34 O ATOM 861 CB GLU A 832 7.724 4.862 11.004 1.00 0.56 C ATOM 862 CG GLU A 832 9.232 4.766 11.204 1.00 1.41 C ATOM 863 CD GLU A 832 9.809 3.422 10.814 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.242 2.390 11.221 1.00 2.93 O ATOM 865 OE2 GLU A 832 10.803 3.392 10.060 1.00 2.62 O ATOM 0 H GLU A 832 5.460 5.575 10.503 1.00 0.50 H new ATOM 0 HA GLU A 832 7.874 5.882 9.112 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.343 5.674 11.624 1.00 0.56 H new ATOM 0 HB3 GLU A 832 7.267 3.942 11.368 1.00 0.56 H new ATOM 0 HG2 GLU A 832 9.719 5.545 10.617 1.00 1.41 H new ATOM 0 HG3 GLU A 832 9.465 4.963 12.251 1.00 1.41 H new ATOM 872 N ASP A 833 6.552 2.884 8.906 1.00 0.32 N ATOM 873 CA ASP A 833 6.533 1.653 8.118 1.00 0.29 C ATOM 874 C ASP A 833 6.458 1.959 6.627 1.00 0.24 C ATOM 875 O ASP A 833 7.229 1.422 5.824 1.00 0.23 O ATOM 876 CB ASP A 833 5.335 0.784 8.516 1.00 0.38 C ATOM 877 CG ASP A 833 4.296 1.545 9.321 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.448 1.628 10.555 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.345 2.091 8.728 1.00 1.50 O ATOM 0 H ASP A 833 5.814 2.939 9.608 1.00 0.32 H new ATOM 0 HA ASP A 833 7.459 1.114 8.321 1.00 0.29 H new ATOM 0 HB2 ASP A 833 4.868 0.383 7.616 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.687 -0.067 9.099 1.00 0.38 H new ATOM 884 N TRP A 834 5.549 2.853 6.268 1.00 0.22 N ATOM 885 CA TRP A 834 5.391 3.264 4.886 1.00 0.20 C ATOM 886 C TRP A 834 6.651 3.953 4.375 1.00 0.19 C ATOM 887 O TRP A 834 7.073 3.731 3.239 1.00 0.18 O ATOM 888 CB TRP A 834 4.185 4.190 4.731 1.00 0.23 C ATOM 889 CG TRP A 834 4.083 4.792 3.366 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.972 6.113 3.061 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.097 4.090 2.119 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.920 6.278 1.700 1.00 0.26 N ATOM 893 CE2 TRP A 834 3.994 5.051 1.100 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.191 2.744 1.766 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.982 4.708 -0.248 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.180 2.405 0.430 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.077 3.381 -0.560 1.00 0.19 C ATOM 0 H TRP A 834 4.909 3.308 6.919 1.00 0.22 H new ATOM 0 HA TRP A 834 5.222 2.368 4.289 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.274 3.630 4.944 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.249 4.988 5.470 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.931 6.914 3.784 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.839 7.171 1.214 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.271 1.981 2.526 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.901 5.461 -1.018 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.252 1.366 0.145 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.072 3.081 -1.598 1.00 0.19 H new ATOM 908 N ASN A 835 7.266 4.769 5.221 1.00 0.22 N ATOM 909 CA ASN A 835 8.493 5.454 4.843 1.00 0.25 C ATOM 910 C ASN A 835 9.572 4.445 4.485 1.00 0.21 C ATOM 911 O ASN A 835 10.249 4.591 3.468 1.00 0.21 O ATOM 912 CB ASN A 835 8.988 6.375 5.955 1.00 0.34 C ATOM 913 CG ASN A 835 10.153 7.227 5.492 1.00 1.15 C ATOM 914 OD1 ASN A 835 10.024 8.010 4.551 1.00 1.66 O ATOM 915 ND2 ASN A 835 11.299 7.066 6.130 1.00 2.00 N ATOM 0 H ASN A 835 6.938 4.971 6.166 1.00 0.22 H new ATOM 0 HA ASN A 835 8.272 6.069 3.971 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.173 7.019 6.285 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.291 5.778 6.815 1.00 0.34 H new ATOM 0 HD21 ASN A 835 12.120 7.602 5.847 1.00 2.00 H new ATOM 0 HD22 ASN A 835 11.363 6.406 6.905 1.00 2.00 H new ATOM 922 N VAL A 836 9.646 3.367 5.262 1.00 0.22 N ATOM 923 CA VAL A 836 10.562 2.273 4.964 1.00 0.25 C ATOM 924 C VAL A 836 10.246 1.671 3.599 1.00 0.19 C ATOM 925 O VAL A 836 11.146 1.468 2.786 1.00 0.19 O ATOM 926 CB VAL A 836 10.508 1.162 6.033 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.458 0.027 5.682 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.838 1.723 7.403 1.00 1.22 C ATOM 0 H VAL A 836 9.083 3.229 6.101 1.00 0.22 H new ATOM 0 HA VAL A 836 11.567 2.694 4.961 1.00 0.25 H new ATOM 0 HB VAL A 836 9.493 0.764 6.057 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.403 -0.744 6.450 1.00 1.36 H new ATOM 0 HG12 VAL A 836 11.176 -0.399 4.719 1.00 1.36 H new ATOM 0 HG13 VAL A 836 12.477 0.410 5.625 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.795 0.924 8.143 1.00 1.22 H new ATOM 0 HG22 VAL A 836 11.840 2.151 7.389 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.116 2.498 7.662 1.00 1.22 H new ATOM 938 N ALA A 837 8.963 1.432 3.333 1.00 0.16 N ATOM 939 CA ALA A 837 8.543 0.890 2.043 1.00 0.15 C ATOM 940 C ALA A 837 9.003 1.784 0.895 1.00 0.15 C ATOM 941 O ALA A 837 9.594 1.308 -0.073 1.00 0.19 O ATOM 942 CB ALA A 837 7.035 0.712 1.994 1.00 0.17 C ATOM 0 H ALA A 837 8.201 1.604 3.989 1.00 0.16 H new ATOM 0 HA ALA A 837 9.013 -0.087 1.928 1.00 0.15 H new ATOM 0 HB1 ALA A 837 6.748 0.307 1.024 1.00 0.17 H new ATOM 0 HB2 ALA A 837 6.724 0.024 2.780 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.550 1.677 2.143 1.00 0.17 H new ATOM 948 N LYS A 838 8.748 3.083 1.019 1.00 0.14 N ATOM 949 CA LYS A 838 9.156 4.044 -0.002 1.00 0.19 C ATOM 950 C LYS A 838 10.665 4.011 -0.210 1.00 0.20 C ATOM 951 O LYS A 838 11.139 3.914 -1.343 1.00 0.24 O ATOM 952 CB LYS A 838 8.754 5.462 0.381 1.00 0.23 C ATOM 953 CG LYS A 838 7.301 5.628 0.770 1.00 0.23 C ATOM 954 CD LYS A 838 6.921 7.103 0.827 1.00 0.40 C ATOM 955 CE LYS A 838 7.463 7.804 2.075 1.00 0.49 C ATOM 956 NZ LYS A 838 8.930 8.070 2.014 1.00 1.22 N ATOM 0 H LYS A 838 8.261 3.495 1.815 1.00 0.14 H new ATOM 0 HA LYS A 838 8.650 3.759 -0.924 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.378 5.789 1.213 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.969 6.124 -0.458 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.666 5.112 0.050 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.124 5.165 1.741 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.301 7.607 -0.062 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.835 7.195 0.806 1.00 0.40 H new ATOM 0 HE2 LYS A 838 6.935 8.748 2.211 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.248 7.190 2.950 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 9.391 7.670 2.856 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 9.327 7.630 1.160 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 9.096 9.096 1.983 1.00 1.22 H new ATOM 970 N GLU A 839 11.408 4.091 0.891 1.00 0.21 N ATOM 971 CA GLU A 839 12.866 4.066 0.838 1.00 0.26 C ATOM 972 C GLU A 839 13.347 2.781 0.190 1.00 0.27 C ATOM 973 O GLU A 839 14.189 2.807 -0.695 1.00 0.31 O ATOM 974 CB GLU A 839 13.462 4.192 2.242 1.00 0.32 C ATOM 975 CG GLU A 839 13.183 5.529 2.917 1.00 0.47 C ATOM 976 CD GLU A 839 13.874 6.695 2.236 1.00 1.34 C ATOM 977 OE1 GLU A 839 13.557 6.977 1.060 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.743 7.332 2.865 1.00 1.85 O ATOM 0 H GLU A 839 11.023 4.174 1.832 1.00 0.21 H new ATOM 0 HA GLU A 839 13.198 4.915 0.240 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.066 3.392 2.867 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.540 4.045 2.182 1.00 0.32 H new ATOM 0 HG2 GLU A 839 12.108 5.707 2.927 1.00 0.47 H new ATOM 0 HG3 GLU A 839 13.507 5.479 3.956 1.00 0.47 H new ATOM 985 N MET A 840 12.742 1.672 0.585 1.00 0.27 N ATOM 986 CA MET A 840 13.052 0.368 0.013 1.00 0.31 C ATOM 987 C MET A 840 12.958 0.398 -1.512 1.00 0.34 C ATOM 988 O MET A 840 13.923 0.070 -2.208 1.00 0.40 O ATOM 989 CB MET A 840 12.083 -0.670 0.581 1.00 0.32 C ATOM 990 CG MET A 840 12.099 -2.005 -0.139 1.00 0.36 C ATOM 991 SD MET A 840 10.812 -3.113 0.463 1.00 0.76 S ATOM 992 CE MET A 840 9.341 -2.125 0.169 1.00 0.35 C ATOM 0 H MET A 840 12.024 1.648 1.309 1.00 0.27 H new ATOM 0 HA MET A 840 14.076 0.102 0.277 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.322 -0.835 1.632 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.072 -0.264 0.544 1.00 0.32 H new ATOM 0 HG2 MET A 840 11.965 -1.842 -1.208 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.073 -2.476 -0.008 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.925 -1.799 1.122 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.602 -1.253 -0.431 1.00 0.35 H new ATOM 0 HE3 MET A 840 8.601 -2.723 -0.363 1.00 0.35 H new ATOM 1002 N LEU A 841 11.812 0.843 -2.016 1.00 0.30 N ATOM 1003 CA LEU A 841 11.584 0.926 -3.455 1.00 0.35 C ATOM 1004 C LEU A 841 12.620 1.832 -4.120 1.00 0.39 C ATOM 1005 O LEU A 841 13.328 1.425 -5.047 1.00 0.50 O ATOM 1006 CB LEU A 841 10.188 1.501 -3.728 1.00 0.33 C ATOM 1007 CG LEU A 841 9.031 0.842 -2.973 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.762 1.666 -3.126 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.798 -0.575 -3.464 1.00 0.62 C ATOM 0 H LEU A 841 11.024 1.153 -1.447 1.00 0.30 H new ATOM 0 HA LEU A 841 11.668 -0.080 -3.867 1.00 0.35 H new ATOM 0 HB2 LEU A 841 10.199 2.562 -3.480 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.988 1.425 -4.797 1.00 0.33 H new ATOM 0 HG LEU A 841 9.298 0.797 -1.917 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.948 1.185 -2.584 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.926 2.665 -2.722 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.501 1.740 -4.182 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.971 -1.020 -2.911 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.556 -0.557 -4.527 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.700 -1.167 -3.307 1.00 0.62 H new ATOM 1021 N ALA A 842 12.673 3.073 -3.660 1.00 0.36 N ATOM 1022 CA ALA A 842 13.508 4.094 -4.275 1.00 0.44 C ATOM 1023 C ALA A 842 14.997 3.788 -4.150 1.00 0.52 C ATOM 1024 O ALA A 842 15.755 3.971 -5.103 1.00 0.61 O ATOM 1025 CB ALA A 842 13.184 5.450 -3.671 1.00 0.47 C ATOM 0 H ALA A 842 12.141 3.400 -2.853 1.00 0.36 H new ATOM 0 HA ALA A 842 13.284 4.106 -5.342 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.810 6.213 -4.133 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.135 5.686 -3.848 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.374 5.425 -2.598 1.00 0.47 H new ATOM 1031 N GLU A 843 15.429 3.384 -2.966 1.00 0.53 N ATOM 1032 CA GLU A 843 16.840 3.129 -2.732 1.00 0.66 C ATOM 1033 C GLU A 843 17.321 1.909 -3.503 1.00 0.71 C ATOM 1034 O GLU A 843 18.336 1.975 -4.196 1.00 0.81 O ATOM 1035 CB GLU A 843 17.133 2.970 -1.237 1.00 0.71 C ATOM 1036 CG GLU A 843 16.899 4.244 -0.438 1.00 1.45 C ATOM 1037 CD GLU A 843 17.785 5.389 -0.884 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.739 5.143 -1.651 1.00 2.43 O ATOM 1039 OE2 GLU A 843 17.527 6.542 -0.485 1.00 2.92 O ATOM 0 H GLU A 843 14.827 3.227 -2.158 1.00 0.53 H new ATOM 0 HA GLU A 843 17.390 3.996 -3.098 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.505 2.176 -0.833 1.00 0.71 H new ATOM 0 HB3 GLU A 843 18.168 2.654 -1.108 1.00 0.71 H new ATOM 0 HG2 GLU A 843 15.854 4.541 -0.534 1.00 1.45 H new ATOM 0 HG3 GLU A 843 17.078 4.043 0.618 1.00 1.45 H new ATOM 1046 N ASN A 844 16.627 0.782 -3.359 1.00 0.67 N ATOM 1047 CA ASN A 844 17.058 -0.437 -4.037 1.00 0.80 C ATOM 1048 C ASN A 844 16.864 -0.334 -5.548 1.00 0.79 C ATOM 1049 O ASN A 844 17.851 -0.340 -6.283 1.00 1.11 O ATOM 1050 CB ASN A 844 16.335 -1.664 -3.489 1.00 0.85 C ATOM 1051 CG ASN A 844 16.662 -1.928 -2.032 1.00 0.97 C ATOM 1052 OD1 ASN A 844 17.819 -2.152 -1.673 1.00 1.53 O ATOM 1053 ND2 ASN A 844 15.644 -1.910 -1.190 1.00 1.15 N ATOM 0 H ASN A 844 15.784 0.687 -2.793 1.00 0.67 H new ATOM 0 HA ASN A 844 18.124 -0.554 -3.840 1.00 0.80 H new ATOM 0 HB2 ASN A 844 15.259 -1.526 -3.597 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.606 -2.537 -4.083 1.00 0.85 H new ATOM 0 HD21 ASN A 844 15.800 -2.086 -0.198 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.702 -1.720 -1.532 1.00 1.15 H new ATOM 1060 N ASN A 845 15.612 -0.094 -5.983 1.00 0.62 N ATOM 1061 CA ASN A 845 15.278 0.115 -7.408 1.00 0.71 C ATOM 1062 C ASN A 845 13.797 -0.157 -7.663 1.00 0.61 C ATOM 1063 O ASN A 845 13.239 0.310 -8.660 1.00 0.71 O ATOM 1064 CB ASN A 845 16.121 -0.758 -8.362 1.00 0.92 C ATOM 1065 CG ASN A 845 15.854 -2.248 -8.231 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.810 -2.752 -8.645 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.805 -2.965 -7.658 1.00 1.48 N ATOM 0 H ASN A 845 14.806 -0.039 -5.361 1.00 0.62 H new ATOM 0 HA ASN A 845 15.511 1.159 -7.619 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.922 -0.452 -9.389 1.00 0.92 H new ATOM 0 HB3 ASN A 845 17.178 -0.570 -8.172 1.00 0.92 H new ATOM 0 HD21 ASN A 845 16.687 -3.972 -7.546 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.657 -2.511 -7.327 1.00 1.48 H new ATOM 1074 N GLU A 846 13.207 -1.021 -6.837 1.00 0.55 N ATOM 1075 CA GLU A 846 11.829 -1.469 -7.032 1.00 0.63 C ATOM 1076 C GLU A 846 10.825 -0.320 -7.014 1.00 0.73 C ATOM 1077 O GLU A 846 11.141 0.807 -6.640 1.00 1.49 O ATOM 1078 CB GLU A 846 11.418 -2.509 -5.978 1.00 0.77 C ATOM 1079 CG GLU A 846 11.955 -2.267 -4.577 1.00 1.40 C ATOM 1080 CD GLU A 846 13.288 -2.936 -4.335 1.00 2.19 C ATOM 1081 OE1 GLU A 846 13.930 -3.356 -5.316 1.00 2.54 O ATOM 1082 OE2 GLU A 846 13.695 -3.052 -3.161 1.00 2.97 O ATOM 0 H GLU A 846 13.666 -1.427 -6.021 1.00 0.55 H new ATOM 0 HA GLU A 846 11.809 -1.925 -8.022 1.00 0.63 H new ATOM 0 HB2 GLU A 846 10.330 -2.542 -5.931 1.00 0.77 H new ATOM 0 HB3 GLU A 846 11.753 -3.491 -6.312 1.00 0.77 H new ATOM 0 HG2 GLU A 846 12.057 -1.194 -4.413 1.00 1.40 H new ATOM 0 HG3 GLU A 846 11.232 -2.634 -3.848 1.00 1.40 H new ATOM 1089 N LYS A 847 9.603 -0.636 -7.410 1.00 0.42 N ATOM 1090 CA LYS A 847 8.516 0.330 -7.422 1.00 0.37 C ATOM 1091 C LYS A 847 7.177 -0.384 -7.271 1.00 0.35 C ATOM 1092 O LYS A 847 6.206 0.204 -6.797 1.00 0.44 O ATOM 1093 CB LYS A 847 8.521 1.141 -8.719 1.00 0.44 C ATOM 1094 CG LYS A 847 8.004 2.564 -8.552 1.00 0.63 C ATOM 1095 CD LYS A 847 9.056 3.476 -7.938 1.00 1.29 C ATOM 1096 CE LYS A 847 10.291 3.580 -8.819 1.00 1.80 C ATOM 1097 NZ LYS A 847 9.963 4.075 -10.182 1.00 2.40 N ATOM 0 H LYS A 847 9.337 -1.567 -7.731 1.00 0.42 H new ATOM 0 HA LYS A 847 8.660 1.012 -6.584 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.537 1.177 -9.111 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.911 0.627 -9.461 1.00 0.44 H new ATOM 0 HG2 LYS A 847 7.702 2.958 -9.523 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.115 2.557 -7.921 1.00 0.63 H new ATOM 0 HD2 LYS A 847 8.633 4.469 -7.785 1.00 1.29 H new ATOM 0 HD3 LYS A 847 9.340 3.096 -6.957 1.00 1.29 H new ATOM 0 HE2 LYS A 847 11.013 4.251 -8.354 1.00 1.80 H new ATOM 0 HE3 LYS A 847 10.767 2.602 -8.893 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 10.839 4.340 -10.675 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 9.478 3.326 -10.716 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 9.342 4.906 -10.109 1.00 2.40 H new ATOM 1111 N PHE A 848 7.124 -1.640 -7.729 1.00 0.32 N ATOM 1112 CA PHE A 848 5.905 -2.443 -7.672 1.00 0.30 C ATOM 1113 C PHE A 848 5.406 -2.555 -6.242 1.00 0.24 C ATOM 1114 O PHE A 848 6.143 -2.989 -5.351 1.00 0.21 O ATOM 1115 CB PHE A 848 6.178 -3.847 -8.206 1.00 0.31 C ATOM 1116 CG PHE A 848 4.978 -4.523 -8.821 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.514 -4.173 -10.085 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.301 -5.503 -8.117 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.400 -4.794 -10.622 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.186 -6.120 -8.648 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.796 -5.776 -10.008 1.00 0.52 C ATOM 0 H PHE A 848 7.920 -2.122 -8.146 1.00 0.32 H new ATOM 0 HA PHE A 848 5.148 -1.952 -8.283 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.971 -3.791 -8.952 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.551 -4.467 -7.391 1.00 0.31 H new ATOM 0 HD1 PHE A 848 5.027 -3.410 -10.652 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.650 -5.790 -7.136 1.00 0.35 H new ATOM 0 HE1 PHE A 848 3.019 -4.457 -11.575 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.620 -6.837 -8.072 1.00 0.42 H new ATOM 0 HZ PHE A 848 2.013 -6.329 -10.506 1.00 0.52 H new ATOM 1131 N LEU A 849 4.144 -2.232 -6.040 1.00 0.22 N ATOM 1132 CA LEU A 849 3.543 -2.346 -4.732 1.00 0.18 C ATOM 1133 C LEU A 849 2.224 -3.099 -4.829 1.00 0.17 C ATOM 1134 O LEU A 849 1.458 -2.929 -5.774 1.00 0.19 O ATOM 1135 CB LEU A 849 3.322 -0.962 -4.116 1.00 0.20 C ATOM 1136 CG LEU A 849 2.976 -0.961 -2.628 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.074 -1.632 -1.822 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.765 0.458 -2.143 1.00 0.55 C ATOM 0 H LEU A 849 3.517 -1.889 -6.767 1.00 0.22 H new ATOM 0 HA LEU A 849 4.221 -2.903 -4.085 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.224 -0.368 -4.264 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.519 -0.464 -4.660 1.00 0.20 H new ATOM 0 HG LEU A 849 2.053 -1.524 -2.488 1.00 0.24 H new ATOM 0 HD11 LEU A 849 3.808 -1.621 -0.765 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.192 -2.663 -2.156 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.011 -1.095 -1.966 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.519 0.447 -1.081 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.677 1.035 -2.298 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.947 0.915 -2.700 1.00 0.55 H new ATOM 1150 N ASN A 850 1.996 -3.965 -3.869 1.00 0.16 N ATOM 1151 CA ASN A 850 0.789 -4.769 -3.815 1.00 0.17 C ATOM 1152 C ASN A 850 0.176 -4.627 -2.439 1.00 0.17 C ATOM 1153 O ASN A 850 0.893 -4.411 -1.471 1.00 0.16 O ATOM 1154 CB ASN A 850 1.088 -6.242 -4.098 1.00 0.19 C ATOM 1155 CG ASN A 850 1.495 -6.494 -5.533 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.699 -6.335 -6.459 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.737 -6.896 -5.727 1.00 0.45 N ATOM 0 H ASN A 850 2.643 -4.135 -3.099 1.00 0.16 H new ATOM 0 HA ASN A 850 0.096 -4.418 -4.580 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.884 -6.580 -3.435 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.205 -6.838 -3.866 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.069 -7.087 -6.672 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.365 -7.015 -4.932 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.136 -4.668 -2.351 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.793 -4.474 -1.071 1.00 0.21 C ATOM 1166 C ILE A 851 -2.724 -5.635 -0.802 1.00 0.24 C ATOM 1167 O ILE A 851 -3.557 -5.987 -1.636 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.635 -3.175 -1.002 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.266 -2.178 -2.103 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.478 -2.520 0.359 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.889 -1.557 -1.958 1.00 0.28 C ATOM 0 H ILE A 851 -1.764 -4.832 -3.138 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.998 -4.403 -0.329 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.675 -3.461 -1.157 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.322 -2.684 -3.067 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -3.010 -1.381 -2.118 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.074 -1.608 0.395 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.818 -3.207 1.135 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.429 -2.274 0.526 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.714 -0.865 -2.781 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.831 -1.018 -1.012 1.00 0.28 H new ATOM 0 HD13 ILE A 851 -0.132 -2.341 -1.976 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.523 -6.266 0.335 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.304 -7.408 0.718 1.00 0.37 C ATOM 1185 C ARG A 852 -4.334 -7.021 1.748 1.00 0.39 C ATOM 1186 O ARG A 852 -3.970 -6.602 2.848 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.417 -8.467 1.337 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.142 -9.770 1.580 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.238 -10.811 2.212 1.00 0.70 C ATOM 1190 NE ARG A 852 -2.990 -12.003 2.597 1.00 1.27 N ATOM 1191 CZ ARG A 852 -2.475 -13.058 3.233 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.175 -13.128 3.476 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -3.268 -14.051 3.608 1.00 2.38 N ATOM 0 H ARG A 852 -1.812 -5.997 1.015 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.790 -7.791 -0.179 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.564 -8.648 0.683 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.021 -8.095 2.282 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.000 -9.593 2.228 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.530 -10.151 0.635 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.450 -11.086 1.510 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.750 -10.387 3.089 1.00 0.70 H new ATOM 0 HE ARG A 852 -3.982 -12.031 2.362 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.559 -12.372 3.177 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.790 -13.938 3.962 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -4.268 -14.008 3.411 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -2.879 -14.859 4.094 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.570 -7.402 1.514 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.552 -7.326 2.564 1.00 0.54 C ATOM 1209 C LEU A 853 -6.902 -8.732 2.995 1.00 0.63 C ATOM 1210 O LEU A 853 -7.871 -9.320 2.524 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.785 -6.552 2.129 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.538 -5.082 1.782 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -8.831 -4.293 1.871 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.481 -4.483 2.700 1.00 1.56 C ATOM 0 H LEU A 853 -5.912 -7.761 0.622 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.135 -6.778 3.409 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.218 -7.047 1.260 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.527 -6.602 2.926 1.00 0.71 H new ATOM 0 HG LEU A 853 -7.170 -5.028 0.758 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -8.638 -3.250 1.621 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -9.558 -4.705 1.171 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -9.227 -4.356 2.885 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.320 -3.438 2.436 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -6.818 -4.549 3.735 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -5.547 -5.033 2.587 1.00 1.56 H new ATOM 1226 N TYR A 854 -5.969 -9.330 3.718 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.046 -10.730 4.096 1.00 1.08 C ATOM 1228 C TYR A 854 -7.391 -11.085 4.717 1.00 1.25 C ATOM 1229 O TYR A 854 -8.068 -11.973 4.161 1.00 1.67 O ATOM 1230 CB TYR A 854 -4.896 -11.103 5.042 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.324 -9.958 5.866 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -5.174 -9.024 6.439 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -2.955 -9.800 6.060 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -4.684 -7.970 7.179 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -2.458 -8.746 6.795 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.232 -7.905 7.389 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.842 -6.771 8.077 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.769 -10.474 5.737 1.00 1.77 O ATOM 0 H TYR A 854 -5.134 -8.855 4.060 1.00 0.99 H new ATOM 0 HA TYR A 854 -5.949 -11.315 3.181 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.247 -11.878 5.724 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.091 -11.539 4.451 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -6.241 -9.125 6.303 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -2.271 -10.515 5.627 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -5.343 -7.219 7.589 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -1.388 -8.621 6.875 1.00 0.86 H new ATOM 0 HH TYR A 854 -3.552 -6.097 8.026 1.00 0.92 H new