USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 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 782 THR OG1 : rot 157:sc= 0.731 USER MOD Set 1.2: A 819 GLN : amide:sc= -1.46 K(o=-2.3,f=-3.8!) USER MOD Set 1.3: A 850 ASN :FLIP amide:sc= -1.57 F(o=-6.9!,f=-2.3) USER MOD Set 2.1: A 814 THR OG1 : rot -16:sc= 2.21 USER MOD Set 2.2: A 815 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0) USER MOD Single : A 787 LYS NZ :NH3+ 165:sc= -0.0367 (180deg=-0.281) USER MOD Single : A 790 ASN :FLIP amide:sc= -0.328 F(o=-1.8,f=-0.33) USER MOD Single : A 796 MET CE :methyl -161:sc= -0.122 (180deg=-0.569) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.304 F(o=-3.1!,f=-0.3) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 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 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN :FLIP amide:sc= -0.419 F(o=-3.9!,f=-0.42) USER MOD Single : A 838 LYS NZ :NH3+ -123:sc= -0.113 (180deg=-2.26) USER MOD Single : A 840 MET CE :methyl -111:sc= -3.43 (180deg=-5.79!) USER MOD Single : A 844 ASN :FLIP amide:sc= -0.102 F(o=-2.1!,f=-0.1) USER MOD Single : A 845 ASN : amide:sc= -0.247 K(o=-0.25,f=-2) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 854 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -8.094 -9.832 -0.885 1.00 0.78 N ATOM 15 CA GLU A 779 -6.955 -10.105 -0.013 1.00 0.85 C ATOM 16 C GLU A 779 -5.682 -10.159 -0.830 1.00 0.75 C ATOM 17 O GLU A 779 -4.806 -11.002 -0.629 1.00 1.17 O ATOM 18 CB GLU A 779 -7.159 -11.386 0.807 1.00 1.60 C ATOM 19 CG GLU A 779 -8.375 -11.325 1.721 1.00 1.95 C ATOM 20 CD GLU A 779 -8.482 -12.507 2.660 1.00 2.62 C ATOM 21 OE1 GLU A 779 -7.532 -13.315 2.726 1.00 3.25 O ATOM 22 OE2 GLU A 779 -9.516 -12.621 3.354 1.00 2.92 O ATOM 0 HA GLU A 779 -6.869 -9.290 0.706 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -7.265 -12.232 0.128 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -6.269 -11.570 1.409 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.333 -10.407 2.308 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -9.277 -11.273 1.111 1.00 1.95 H new ATOM 29 N ILE A 780 -5.587 -9.163 -1.684 1.00 0.62 N ATOM 30 CA ILE A 780 -4.442 -8.931 -2.542 1.00 0.43 C ATOM 31 C ILE A 780 -4.797 -7.842 -3.560 1.00 0.37 C ATOM 32 O ILE A 780 -5.889 -7.831 -4.135 1.00 0.49 O ATOM 33 CB ILE A 780 -3.967 -10.236 -3.248 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.434 -10.277 -3.353 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.600 -10.417 -4.623 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.830 -9.114 -4.110 1.00 0.51 C ATOM 0 H ILE A 780 -6.326 -8.471 -1.805 1.00 0.62 H new ATOM 0 HA ILE A 780 -3.606 -8.596 -1.929 1.00 0.43 H new ATOM 0 HB ILE A 780 -4.300 -11.068 -2.627 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.013 -10.299 -2.348 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.140 -11.206 -3.842 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -4.236 -11.341 -5.072 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.684 -10.466 -4.521 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.333 -9.574 -5.260 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.746 -9.221 -4.137 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.219 -9.101 -5.128 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -2.090 -8.181 -3.611 1.00 0.51 H new ATOM 48 N PHE A 781 -3.935 -6.852 -3.641 1.00 0.28 N ATOM 49 CA PHE A 781 -4.145 -5.685 -4.475 1.00 0.26 C ATOM 50 C PHE A 781 -2.788 -5.177 -4.926 1.00 0.22 C ATOM 51 O PHE A 781 -1.806 -5.369 -4.222 1.00 0.21 O ATOM 52 CB PHE A 781 -4.908 -4.599 -3.706 1.00 0.29 C ATOM 53 CG PHE A 781 -5.117 -3.336 -4.493 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.647 -3.385 -5.771 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.802 -2.101 -3.949 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.860 -2.231 -6.493 1.00 0.50 C ATOM 57 CE2 PHE A 781 -5.017 -0.942 -4.666 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.460 -1.004 -5.955 1.00 0.52 C ATOM 0 H PHE A 781 -3.056 -6.833 -3.123 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.748 -5.950 -5.343 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.878 -4.993 -3.404 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.362 -4.362 -2.793 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.897 -4.341 -6.208 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.384 -2.045 -2.955 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.331 -2.274 -7.464 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.834 0.018 -4.205 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.502 -0.109 -6.558 1.00 0.52 H new ATOM 68 N THR A 782 -2.697 -4.627 -6.122 1.00 0.23 N ATOM 69 CA THR A 782 -1.408 -4.212 -6.637 1.00 0.23 C ATOM 70 C THR A 782 -1.448 -2.751 -7.072 1.00 0.23 C ATOM 71 O THR A 782 -2.461 -2.258 -7.577 1.00 0.25 O ATOM 72 CB THR A 782 -0.938 -5.117 -7.798 1.00 0.29 C ATOM 73 OG1 THR A 782 0.391 -4.761 -8.188 1.00 1.39 O ATOM 74 CG2 THR A 782 -1.867 -5.022 -8.999 1.00 1.34 C ATOM 0 H THR A 782 -3.487 -4.459 -6.746 1.00 0.23 H new ATOM 0 HA THR A 782 -0.683 -4.314 -5.830 1.00 0.23 H new ATOM 0 HB THR A 782 -0.955 -6.147 -7.441 1.00 0.29 H new ATOM 0 HG1 THR A 782 0.817 -5.523 -8.633 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.502 -5.673 -9.794 1.00 1.34 H new ATOM 0 HG22 THR A 782 -2.871 -5.332 -8.708 1.00 1.34 H new ATOM 0 HG23 THR A 782 -1.895 -3.993 -9.357 1.00 1.34 H new ATOM 82 N LEU A 783 -0.427 -2.033 -6.635 1.00 0.22 N ATOM 83 CA LEU A 783 -0.367 -0.589 -6.747 1.00 0.21 C ATOM 84 C LEU A 783 1.091 -0.159 -6.869 1.00 0.21 C ATOM 85 O LEU A 783 1.981 -0.851 -6.381 1.00 0.23 O ATOM 86 CB LEU A 783 -1.028 0.061 -5.524 1.00 0.26 C ATOM 87 CG LEU A 783 -1.260 1.571 -5.619 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.146 1.902 -6.808 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.884 2.091 -4.331 1.00 0.61 C ATOM 0 H LEU A 783 0.392 -2.443 -6.187 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.908 -0.264 -7.635 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.988 -0.425 -5.352 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.408 -0.138 -4.650 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.297 2.060 -5.762 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.299 2.980 -6.859 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.667 1.560 -7.725 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -3.109 1.404 -6.694 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -2.044 3.166 -4.412 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.839 1.594 -4.163 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -1.216 1.886 -3.494 1.00 0.61 H new ATOM 101 N LEU A 784 1.351 0.917 -7.585 1.00 0.20 N ATOM 102 CA LEU A 784 2.723 1.331 -7.822 1.00 0.22 C ATOM 103 C LEU A 784 2.896 2.770 -7.369 1.00 0.21 C ATOM 104 O LEU A 784 2.140 3.655 -7.771 1.00 0.23 O ATOM 105 CB LEU A 784 3.056 1.214 -9.312 1.00 0.29 C ATOM 106 CG LEU A 784 4.544 1.215 -9.659 1.00 0.91 C ATOM 107 CD1 LEU A 784 5.127 -0.176 -9.477 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.758 1.703 -11.084 1.00 1.45 C ATOM 0 H LEU A 784 0.642 1.515 -8.009 1.00 0.20 H new ATOM 0 HA LEU A 784 3.398 0.686 -7.259 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.613 0.294 -9.694 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.578 2.040 -9.839 1.00 0.29 H new ATOM 0 HG LEU A 784 5.059 1.898 -8.983 1.00 0.91 H new ATOM 0 HD11 LEU A 784 6.188 -0.162 -9.728 1.00 1.53 H new ATOM 0 HD12 LEU A 784 5.003 -0.490 -8.440 1.00 1.53 H new ATOM 0 HD13 LEU A 784 4.609 -0.876 -10.132 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.823 1.697 -11.314 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.233 1.045 -11.777 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.371 2.717 -11.183 1.00 1.45 H new ATOM 120 N VAL A 785 3.783 2.950 -6.395 1.00 0.22 N ATOM 121 CA VAL A 785 3.951 4.235 -5.734 1.00 0.25 C ATOM 122 C VAL A 785 4.470 5.294 -6.700 1.00 0.34 C ATOM 123 O VAL A 785 5.332 5.028 -7.540 1.00 0.79 O ATOM 124 CB VAL A 785 4.880 4.129 -4.500 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.328 3.115 -3.511 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.299 3.761 -4.900 1.00 1.10 C ATOM 0 H VAL A 785 4.399 2.216 -6.046 1.00 0.22 H new ATOM 0 HA VAL A 785 2.965 4.542 -5.386 1.00 0.25 H new ATOM 0 HB VAL A 785 4.914 5.108 -4.023 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.991 3.050 -2.648 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.336 3.428 -3.184 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.260 2.139 -3.991 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.923 3.695 -4.009 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.295 2.799 -5.412 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.699 4.525 -5.567 1.00 1.10 H new ATOM 136 N GLU A 786 3.832 6.451 -6.669 1.00 0.69 N ATOM 137 CA GLU A 786 4.145 7.520 -7.600 1.00 0.81 C ATOM 138 C GLU A 786 5.152 8.495 -6.989 1.00 0.87 C ATOM 139 O GLU A 786 6.294 8.123 -6.719 1.00 1.56 O ATOM 140 CB GLU A 786 2.859 8.231 -8.022 1.00 0.99 C ATOM 141 CG GLU A 786 1.848 7.292 -8.661 1.00 1.51 C ATOM 142 CD GLU A 786 0.614 8.000 -9.172 1.00 2.26 C ATOM 143 OE1 GLU A 786 0.562 9.246 -9.080 1.00 3.06 O ATOM 144 OE2 GLU A 786 -0.312 7.324 -9.667 1.00 2.59 O ATOM 0 H GLU A 786 3.090 6.674 -6.005 1.00 0.69 H new ATOM 0 HA GLU A 786 4.608 7.094 -8.490 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.408 8.704 -7.150 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.104 9.027 -8.725 1.00 0.99 H new ATOM 0 HG2 GLU A 786 2.324 6.765 -9.488 1.00 1.51 H new ATOM 0 HG3 GLU A 786 1.550 6.539 -7.931 1.00 1.51 H new ATOM 151 N LYS A 787 4.734 9.743 -6.803 1.00 0.91 N ATOM 152 CA LYS A 787 5.615 10.799 -6.295 1.00 1.01 C ATOM 153 C LYS A 787 5.908 10.647 -4.791 1.00 0.96 C ATOM 154 O LYS A 787 5.990 11.636 -4.058 1.00 1.58 O ATOM 155 CB LYS A 787 5.007 12.185 -6.588 1.00 1.17 C ATOM 156 CG LYS A 787 3.826 12.584 -5.703 1.00 1.21 C ATOM 157 CD LYS A 787 2.608 11.697 -5.909 1.00 1.35 C ATOM 158 CE LYS A 787 1.460 12.122 -5.009 1.00 1.27 C ATOM 159 NZ LYS A 787 1.024 13.515 -5.288 1.00 1.80 N ATOM 0 H LYS A 787 3.782 10.054 -6.997 1.00 0.91 H new ATOM 0 HA LYS A 787 6.568 10.704 -6.816 1.00 1.01 H new ATOM 0 HB2 LYS A 787 5.790 12.936 -6.481 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.683 12.208 -7.629 1.00 1.17 H new ATOM 0 HG2 LYS A 787 4.130 12.538 -4.657 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.555 13.619 -5.911 1.00 1.21 H new ATOM 0 HD2 LYS A 787 2.293 11.744 -6.951 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.871 10.660 -5.702 1.00 1.35 H new ATOM 0 HE2 LYS A 787 0.619 11.443 -5.149 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.766 12.039 -3.966 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 0.097 13.683 -4.849 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 1.719 14.182 -4.895 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.951 13.657 -6.316 1.00 1.80 H new ATOM 173 N VAL A 788 6.166 9.414 -4.364 1.00 0.66 N ATOM 174 CA VAL A 788 6.529 9.120 -2.977 1.00 0.61 C ATOM 175 C VAL A 788 5.405 9.523 -2.020 1.00 0.70 C ATOM 176 O VAL A 788 5.403 10.615 -1.452 1.00 1.70 O ATOM 177 CB VAL A 788 7.846 9.810 -2.566 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.270 9.359 -1.179 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.945 9.523 -3.581 1.00 1.21 C ATOM 0 H VAL A 788 6.130 8.591 -4.966 1.00 0.66 H new ATOM 0 HA VAL A 788 6.681 8.043 -2.911 1.00 0.61 H new ATOM 0 HB VAL A 788 7.676 10.887 -2.543 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.201 9.855 -0.904 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.494 9.619 -0.459 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.420 8.279 -1.177 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.865 10.019 -3.271 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.115 8.448 -3.639 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.643 9.896 -4.560 1.00 1.21 H new ATOM 189 N TRP A 789 4.420 8.647 -1.909 1.00 0.50 N ATOM 190 CA TRP A 789 3.237 8.892 -1.093 1.00 0.33 C ATOM 191 C TRP A 789 3.568 9.019 0.391 1.00 0.29 C ATOM 192 O TRP A 789 4.296 8.195 0.944 1.00 0.34 O ATOM 193 CB TRP A 789 2.253 7.749 -1.289 1.00 0.32 C ATOM 194 CG TRP A 789 1.651 7.706 -2.656 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.347 8.772 -3.450 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.289 6.538 -3.397 1.00 0.34 C ATOM 197 NE1 TRP A 789 0.793 8.338 -4.627 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.747 6.969 -4.617 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.360 5.165 -3.142 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.281 6.080 -5.577 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.898 4.285 -4.097 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.362 4.746 -5.301 1.00 0.44 C ATOM 0 H TRP A 789 4.416 7.743 -2.382 1.00 0.50 H new ATOM 0 HA TRP A 789 2.805 9.840 -1.415 1.00 0.33 H new ATOM 0 HB2 TRP A 789 2.762 6.805 -1.095 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.455 7.837 -0.552 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.517 9.806 -3.190 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.468 8.937 -5.386 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.770 4.800 -2.212 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 -0.132 6.433 -6.511 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.951 3.222 -3.911 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.004 4.032 -6.029 1.00 0.44 H new ATOM 213 N ASN A 790 2.936 9.987 1.050 1.00 0.29 N ATOM 214 CA ASN A 790 3.091 10.183 2.494 1.00 0.32 C ATOM 215 C ASN A 790 2.126 9.276 3.271 1.00 0.37 C ATOM 216 O ASN A 790 1.515 9.696 4.256 1.00 0.82 O ATOM 217 CB ASN A 790 2.838 11.655 2.849 1.00 0.39 C ATOM 218 CG ASN A 790 3.221 12.025 4.277 1.00 1.20 C ATOM 219 OD1 ASN A 790 3.974 11.171 4.953 1.00 2.06 O flip ATOM 220 ND2 ASN A 790 2.855 13.095 4.762 1.00 1.79 N flip ATOM 0 H ASN A 790 2.306 10.654 0.605 1.00 0.29 H new ATOM 0 HA ASN A 790 4.110 9.917 2.775 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.398 12.286 2.159 1.00 0.39 H new ATOM 0 HB3 ASN A 790 1.782 11.878 2.698 1.00 0.39 H new ATOM 0 HD21 ASN A 790 2.275 13.731 4.215 1.00 1.79 H new ATOM 0 HD22 ASN A 790 3.131 13.346 5.711 1.00 1.79 H new ATOM 227 N PHE A 791 1.995 8.030 2.807 1.00 0.30 N ATOM 228 CA PHE A 791 1.123 7.016 3.425 1.00 0.25 C ATOM 229 C PHE A 791 -0.356 7.352 3.249 1.00 0.23 C ATOM 230 O PHE A 791 -1.109 6.540 2.728 1.00 0.21 O ATOM 231 CB PHE A 791 1.467 6.827 4.908 1.00 0.28 C ATOM 232 CG PHE A 791 0.648 5.783 5.612 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.429 4.550 5.021 1.00 0.30 C ATOM 234 CD2 PHE A 791 0.088 6.036 6.855 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.329 3.588 5.655 1.00 0.36 C ATOM 236 CE2 PHE A 791 -0.672 5.077 7.493 1.00 0.47 C ATOM 237 CZ PHE A 791 -0.851 3.853 6.933 1.00 0.42 C ATOM 0 H PHE A 791 2.494 7.690 1.985 1.00 0.30 H new ATOM 0 HA PHE A 791 1.306 6.075 2.907 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.521 6.561 4.992 1.00 0.28 H new ATOM 0 HB3 PHE A 791 1.337 7.779 5.422 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.857 4.339 4.052 1.00 0.30 H new ATOM 0 HD2 PHE A 791 0.248 6.993 7.329 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.520 2.640 5.174 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.128 5.302 8.446 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.392 3.086 7.467 1.00 0.42 H new ATOM 247 N ASP A 792 -0.753 8.564 3.612 1.00 0.26 N ATOM 248 CA ASP A 792 -2.131 9.013 3.432 1.00 0.29 C ATOM 249 C ASP A 792 -2.492 9.005 1.950 1.00 0.25 C ATOM 250 O ASP A 792 -3.539 8.491 1.555 1.00 0.26 O ATOM 251 CB ASP A 792 -2.308 10.418 4.018 1.00 0.38 C ATOM 252 CG ASP A 792 -3.753 10.887 4.022 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.352 11.014 2.939 1.00 1.86 O ATOM 254 OD2 ASP A 792 -4.297 11.137 5.119 1.00 1.74 O ATOM 0 H ASP A 792 -0.138 9.259 4.035 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.799 8.331 3.958 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.926 10.430 5.039 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.706 11.122 3.444 1.00 0.38 H new ATOM 259 N ASP A 793 -1.565 9.488 1.133 1.00 0.24 N ATOM 260 CA ASP A 793 -1.727 9.493 -0.318 1.00 0.23 C ATOM 261 C ASP A 793 -1.848 8.070 -0.837 1.00 0.19 C ATOM 262 O ASP A 793 -2.697 7.761 -1.671 1.00 0.18 O ATOM 263 CB ASP A 793 -0.528 10.173 -0.987 1.00 0.28 C ATOM 264 CG ASP A 793 -0.339 11.608 -0.543 1.00 0.75 C ATOM 265 OD1 ASP A 793 0.057 11.822 0.621 1.00 1.36 O ATOM 266 OD2 ASP A 793 -0.583 12.525 -1.357 1.00 1.16 O ATOM 0 H ASP A 793 -0.683 9.886 1.454 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.635 10.046 -0.559 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.376 9.607 -0.762 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.660 10.147 -2.069 1.00 0.28 H new ATOM 271 N LEU A 794 -1.026 7.199 -0.280 1.00 0.18 N ATOM 272 CA LEU A 794 -1.052 5.789 -0.612 1.00 0.17 C ATOM 273 C LEU A 794 -2.390 5.164 -0.197 1.00 0.16 C ATOM 274 O LEU A 794 -3.010 4.446 -0.977 1.00 0.16 O ATOM 275 CB LEU A 794 0.145 5.100 0.064 1.00 0.19 C ATOM 276 CG LEU A 794 -0.042 3.627 0.418 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.080 2.765 -0.834 1.00 0.22 C ATOM 278 CD2 LEU A 794 1.059 3.158 1.351 1.00 0.22 C ATOM 0 H LEU A 794 -0.323 7.451 0.415 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.965 5.654 -1.690 1.00 0.17 H new ATOM 0 HB2 LEU A 794 1.009 5.188 -0.595 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.384 5.645 0.977 1.00 0.19 H new ATOM 0 HG LEU A 794 -0.999 3.524 0.930 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.214 1.720 -0.553 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -0.910 3.080 -1.467 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.856 2.876 -1.381 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.908 2.106 1.592 1.00 0.22 H new ATOM 0 HD22 LEU A 794 2.026 3.284 0.865 1.00 0.22 H new ATOM 0 HD23 LEU A 794 1.034 3.747 2.268 1.00 0.22 H new ATOM 290 N ILE A 795 -2.867 5.521 0.990 1.00 0.18 N ATOM 291 CA ILE A 795 -4.155 5.041 1.489 1.00 0.20 C ATOM 292 C ILE A 795 -5.307 5.481 0.590 1.00 0.19 C ATOM 293 O ILE A 795 -6.130 4.659 0.187 1.00 0.20 O ATOM 294 CB ILE A 795 -4.417 5.529 2.934 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.451 4.851 3.908 1.00 0.51 C ATOM 296 CG2 ILE A 795 -5.859 5.267 3.348 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.564 3.341 3.925 1.00 0.48 C ATOM 0 H ILE A 795 -2.378 6.146 1.631 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.104 3.952 1.485 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.248 6.605 2.963 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.430 5.127 3.645 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.635 5.232 4.913 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.015 5.620 4.367 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.533 5.796 2.674 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.063 4.197 3.299 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -2.849 2.931 4.638 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.574 3.055 4.218 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.350 2.949 2.931 1.00 0.48 H new ATOM 309 N MET A 796 -5.372 6.774 0.285 1.00 0.22 N ATOM 310 CA MET A 796 -6.453 7.301 -0.543 1.00 0.26 C ATOM 311 C MET A 796 -6.408 6.678 -1.938 1.00 0.22 C ATOM 312 O MET A 796 -7.447 6.331 -2.501 1.00 0.23 O ATOM 313 CB MET A 796 -6.412 8.836 -0.623 1.00 0.38 C ATOM 314 CG MET A 796 -5.241 9.398 -1.412 1.00 0.93 C ATOM 315 SD MET A 796 -5.205 11.201 -1.421 1.00 2.03 S ATOM 316 CE MET A 796 -6.747 11.573 -2.254 1.00 2.69 C ATOM 0 H MET A 796 -4.695 7.471 0.596 1.00 0.22 H new ATOM 0 HA MET A 796 -7.397 7.029 -0.072 1.00 0.26 H new ATOM 0 HB2 MET A 796 -7.340 9.188 -1.075 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.378 9.239 0.389 1.00 0.38 H new ATOM 0 HG2 MET A 796 -4.310 9.023 -0.988 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.293 9.035 -2.439 1.00 0.93 H new ATOM 0 HE1 MET A 796 -6.718 12.594 -2.634 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.888 10.881 -3.084 1.00 2.69 H new ATOM 0 HE3 MET A 796 -7.574 11.471 -1.551 1.00 2.69 H new ATOM 326 N ALA A 797 -5.197 6.449 -2.444 1.00 0.21 N ATOM 327 CA ALA A 797 -5.022 5.774 -3.720 1.00 0.22 C ATOM 328 C ALA A 797 -5.577 4.356 -3.653 1.00 0.21 C ATOM 329 O ALA A 797 -6.446 3.993 -4.442 1.00 0.26 O ATOM 330 CB ALA A 797 -3.552 5.755 -4.116 1.00 0.27 C ATOM 0 H ALA A 797 -4.327 6.722 -1.987 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.575 6.325 -4.481 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.440 5.246 -5.073 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.186 6.778 -4.204 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.977 5.228 -3.355 1.00 0.27 H new ATOM 336 N ILE A 798 -5.158 3.604 -2.635 1.00 0.20 N ATOM 337 CA ILE A 798 -5.665 2.252 -2.401 1.00 0.26 C ATOM 338 C ILE A 798 -7.186 2.248 -2.327 1.00 0.27 C ATOM 339 O ILE A 798 -7.855 1.455 -2.991 1.00 0.33 O ATOM 340 CB ILE A 798 -5.116 1.664 -1.081 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.604 1.478 -1.153 1.00 0.32 C ATOM 342 CG2 ILE A 798 -5.788 0.339 -0.766 1.00 0.43 C ATOM 343 CD1 ILE A 798 -2.989 1.058 0.164 1.00 0.67 C ATOM 0 H ILE A 798 -4.463 3.912 -1.954 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.330 1.641 -3.239 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.339 2.371 -0.282 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.373 0.728 -1.909 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.145 2.411 -1.479 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.388 -0.059 0.167 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -6.863 0.491 -0.665 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.596 -0.367 -1.574 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -1.912 0.943 0.042 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.190 1.819 0.918 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.421 0.109 0.481 1.00 0.67 H new ATOM 355 N ASN A 799 -7.715 3.136 -1.503 1.00 0.27 N ATOM 356 CA ASN A 799 -9.147 3.237 -1.280 1.00 0.33 C ATOM 357 C ASN A 799 -9.907 3.503 -2.573 1.00 0.31 C ATOM 358 O ASN A 799 -10.875 2.809 -2.885 1.00 0.40 O ATOM 359 CB ASN A 799 -9.432 4.347 -0.268 1.00 0.40 C ATOM 360 CG ASN A 799 -9.417 3.856 1.163 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.492 2.548 1.341 1.00 1.21 O flip ATOM 362 ND2 ASN A 799 -9.366 4.648 2.104 1.00 0.70 N flip ATOM 0 H ASN A 799 -7.163 3.808 -0.969 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.493 2.280 -0.888 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.690 5.137 -0.384 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.404 4.789 -0.485 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.309 5.650 1.924 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.381 4.302 3.063 1.00 0.70 H new ATOM 369 N SER A 800 -9.473 4.514 -3.311 1.00 0.30 N ATOM 370 CA SER A 800 -10.136 4.901 -4.545 1.00 0.35 C ATOM 371 C SER A 800 -10.025 3.806 -5.604 1.00 0.33 C ATOM 372 O SER A 800 -10.958 3.582 -6.364 1.00 0.41 O ATOM 373 CB SER A 800 -9.551 6.213 -5.074 1.00 0.44 C ATOM 374 OG SER A 800 -10.259 6.670 -6.216 1.00 1.29 O ATOM 0 H SER A 800 -8.660 5.083 -3.074 1.00 0.30 H new ATOM 0 HA SER A 800 -11.193 5.047 -4.325 1.00 0.35 H new ATOM 0 HB2 SER A 800 -9.589 6.972 -4.292 1.00 0.44 H new ATOM 0 HB3 SER A 800 -8.501 6.069 -5.328 1.00 0.44 H new ATOM 0 HG SER A 800 -9.864 7.510 -6.531 1.00 1.29 H new ATOM 380 N LYS A 801 -8.872 3.157 -5.686 1.00 0.29 N ATOM 381 CA LYS A 801 -8.659 2.120 -6.689 1.00 0.36 C ATOM 382 C LYS A 801 -9.526 0.892 -6.406 1.00 0.43 C ATOM 383 O LYS A 801 -10.085 0.295 -7.330 1.00 0.58 O ATOM 384 CB LYS A 801 -7.185 1.721 -6.741 1.00 0.43 C ATOM 385 CG LYS A 801 -6.251 2.853 -7.145 1.00 0.86 C ATOM 386 CD LYS A 801 -6.362 3.195 -8.621 1.00 1.06 C ATOM 387 CE LYS A 801 -5.755 2.104 -9.489 1.00 1.13 C ATOM 388 NZ LYS A 801 -5.585 2.547 -10.896 1.00 1.95 N ATOM 0 H LYS A 801 -8.073 3.328 -5.075 1.00 0.29 H new ATOM 0 HA LYS A 801 -8.950 2.527 -7.657 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.885 1.349 -5.761 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.067 0.897 -7.445 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -6.479 3.738 -6.551 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -5.223 2.572 -6.916 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -7.410 3.333 -8.887 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.857 4.141 -8.816 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -4.787 1.812 -9.081 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -6.393 1.221 -9.461 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -5.169 1.775 -11.455 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -6.511 2.802 -11.294 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -4.956 3.375 -10.926 1.00 1.95 H new ATOM 402 N ILE A 802 -9.611 0.497 -5.139 1.00 0.39 N ATOM 403 CA ILE A 802 -10.385 -0.682 -4.763 1.00 0.52 C ATOM 404 C ILE A 802 -11.889 -0.420 -4.869 1.00 0.70 C ATOM 405 O ILE A 802 -12.617 -1.186 -5.502 1.00 1.56 O ATOM 406 CB ILE A 802 -10.051 -1.161 -3.328 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.571 -1.552 -3.222 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.944 -2.332 -2.932 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.165 -2.059 -1.855 1.00 0.71 C ATOM 0 H ILE A 802 -9.157 0.973 -4.359 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.107 -1.467 -5.466 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.239 -0.338 -2.639 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.355 -2.322 -3.963 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.958 -0.687 -3.474 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.694 -2.654 -1.921 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.988 -2.021 -2.966 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.789 -3.159 -3.625 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.105 -2.314 -1.862 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.347 -1.284 -1.111 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.750 -2.945 -1.607 1.00 0.71 H new ATOM 550 N PRO A 812 -9.081 1.213 4.200 1.00 0.88 N ATOM 551 CA PRO A 812 -8.891 -0.105 3.604 1.00 0.80 C ATOM 552 C PRO A 812 -8.806 -1.197 4.666 1.00 0.77 C ATOM 553 O PRO A 812 -7.828 -1.940 4.726 1.00 0.82 O ATOM 554 CB PRO A 812 -7.566 0.021 2.822 1.00 0.77 C ATOM 555 CG PRO A 812 -7.055 1.407 3.079 1.00 0.75 C ATOM 556 CD PRO A 812 -7.824 1.959 4.249 1.00 0.82 C ATOM 0 HA PRO A 812 -9.727 -0.392 2.966 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.846 -0.727 3.154 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.726 -0.143 1.756 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -5.987 1.388 3.296 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.191 2.036 2.199 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.297 1.799 5.190 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -7.988 3.032 4.154 1.00 0.82 H new ATOM 564 N ILE A 813 -9.813 -1.233 5.545 1.00 0.87 N ATOM 565 CA ILE A 813 -9.890 -2.210 6.639 1.00 0.96 C ATOM 566 C ILE A 813 -8.881 -1.892 7.753 1.00 0.96 C ATOM 567 O ILE A 813 -8.944 -2.474 8.829 1.00 1.64 O ATOM 568 CB ILE A 813 -9.669 -3.660 6.128 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.582 -3.954 4.930 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.922 -4.676 7.233 1.00 1.22 C ATOM 571 CD1 ILE A 813 -12.061 -3.805 5.231 1.00 1.67 C ATOM 0 H ILE A 813 -10.600 -0.585 5.519 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.896 -2.137 7.051 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.629 -3.746 5.812 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.319 -3.283 4.112 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -10.393 -4.970 4.583 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.760 -5.682 6.846 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -9.238 -4.491 8.061 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.950 -4.584 7.584 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.639 -4.030 4.335 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -12.342 -4.495 6.026 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -12.266 -2.783 5.549 1.00 1.67 H new ATOM 583 N THR A 814 -7.918 -1.018 7.445 1.00 0.83 N ATOM 584 CA THR A 814 -6.811 -0.633 8.348 1.00 0.84 C ATOM 585 C THR A 814 -5.809 -1.777 8.536 1.00 0.71 C ATOM 586 O THR A 814 -4.609 -1.538 8.670 1.00 1.08 O ATOM 587 CB THR A 814 -7.269 -0.084 9.728 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.817 -1.112 10.559 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.295 1.022 9.554 1.00 1.90 C ATOM 0 H THR A 814 -7.879 -0.544 6.543 1.00 0.83 H new ATOM 0 HA THR A 814 -6.318 0.196 7.840 1.00 0.84 H new ATOM 0 HB THR A 814 -6.381 0.315 10.218 1.00 1.10 H new ATOM 0 HG1 THR A 814 -8.026 -1.898 10.012 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.601 1.391 10.533 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.857 1.838 8.979 1.00 1.90 H new ATOM 0 HG23 THR A 814 -9.164 0.632 9.025 1.00 1.90 H new ATOM 597 N LYS A 815 -6.295 -3.011 8.441 1.00 0.61 N ATOM 598 CA LYS A 815 -5.442 -4.196 8.457 1.00 0.82 C ATOM 599 C LYS A 815 -4.742 -4.344 7.117 1.00 0.88 C ATOM 600 O LYS A 815 -5.094 -5.203 6.309 1.00 1.68 O ATOM 601 CB LYS A 815 -6.266 -5.453 8.752 1.00 1.16 C ATOM 602 CG LYS A 815 -6.476 -5.745 10.231 1.00 1.29 C ATOM 603 CD LYS A 815 -7.185 -4.613 10.960 1.00 1.45 C ATOM 604 CE LYS A 815 -6.197 -3.666 11.627 1.00 1.74 C ATOM 605 NZ LYS A 815 -6.870 -2.706 12.539 1.00 2.52 N ATOM 0 H LYS A 815 -7.290 -3.218 8.351 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.698 -4.076 9.245 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -7.240 -5.352 8.274 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.773 -6.310 8.293 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -7.058 -6.660 10.337 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -5.510 -5.926 10.702 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -7.803 -4.057 10.255 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -7.855 -5.028 11.712 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -5.464 -4.245 12.188 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.650 -3.115 10.861 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -6.167 -2.283 13.178 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -7.324 -1.956 11.980 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -7.591 -3.205 13.098 1.00 2.52 H new ATOM 619 N ILE A 816 -3.853 -3.412 6.838 1.00 0.43 N ATOM 620 CA ILE A 816 -3.191 -3.352 5.557 1.00 0.34 C ATOM 621 C ILE A 816 -1.800 -3.958 5.611 1.00 0.30 C ATOM 622 O ILE A 816 -1.023 -3.745 6.552 1.00 0.33 O ATOM 623 CB ILE A 816 -3.109 -1.915 4.999 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.546 -0.945 6.046 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.478 -1.459 4.522 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.393 0.471 5.540 1.00 1.06 C ATOM 0 H ILE A 816 -3.572 -2.680 7.491 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.807 -3.943 4.879 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.426 -1.917 4.150 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -3.203 -0.942 6.916 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.575 -1.309 6.381 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.408 -0.444 4.131 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.831 -2.127 3.736 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.179 -1.478 5.356 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.990 1.100 6.334 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.713 0.482 4.688 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.366 0.854 5.232 1.00 1.06 H new ATOM 638 N LYS A 817 -1.496 -4.675 4.557 1.00 0.26 N ATOM 639 CA LYS A 817 -0.225 -5.338 4.382 1.00 0.24 C ATOM 640 C LYS A 817 0.334 -4.942 3.041 1.00 0.23 C ATOM 641 O LYS A 817 -0.424 -4.706 2.111 1.00 0.24 O ATOM 642 CB LYS A 817 -0.402 -6.850 4.424 1.00 0.33 C ATOM 643 CG LYS A 817 -0.467 -7.437 5.814 1.00 0.74 C ATOM 644 CD LYS A 817 -0.480 -8.952 5.757 1.00 0.68 C ATOM 645 CE LYS A 817 -0.725 -9.558 7.125 1.00 1.18 C ATOM 646 NZ LYS A 817 -0.525 -11.031 7.122 1.00 1.35 N ATOM 0 H LYS A 817 -2.140 -4.818 3.779 1.00 0.26 H new ATOM 0 HA LYS A 817 0.452 -5.045 5.185 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.316 -7.111 3.891 1.00 0.33 H new ATOM 0 HB3 LYS A 817 0.424 -7.314 3.886 1.00 0.33 H new ATOM 0 HG2 LYS A 817 0.389 -7.098 6.398 1.00 0.74 H new ATOM 0 HG3 LYS A 817 -1.362 -7.080 6.323 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -1.255 -9.284 5.067 1.00 0.68 H new ATOM 0 HD3 LYS A 817 0.472 -9.310 5.364 1.00 0.68 H new ATOM 0 HE2 LYS A 817 -0.051 -9.102 7.850 1.00 1.18 H new ATOM 0 HE3 LYS A 817 -1.741 -9.330 7.446 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 -0.702 -11.407 8.075 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 -1.185 -11.470 6.449 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.452 -11.248 6.840 1.00 1.35 H new ATOM 660 N TYR A 818 1.637 -4.841 2.940 1.00 0.20 N ATOM 661 CA TYR A 818 2.247 -4.414 1.707 1.00 0.19 C ATOM 662 C TYR A 818 3.295 -5.423 1.274 1.00 0.18 C ATOM 663 O TYR A 818 3.913 -6.098 2.098 1.00 0.19 O ATOM 664 CB TYR A 818 2.860 -3.011 1.856 1.00 0.20 C ATOM 665 CG TYR A 818 4.230 -2.985 2.502 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.385 -3.106 1.741 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.363 -2.853 3.878 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.632 -3.094 2.333 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.604 -2.835 4.476 1.00 0.27 C ATOM 670 CZ TYR A 818 6.749 -2.921 3.673 1.00 0.26 C ATOM 671 OH TYR A 818 7.977 -2.943 4.296 1.00 0.30 O ATOM 0 H TYR A 818 2.292 -5.048 3.694 1.00 0.20 H new ATOM 0 HA TYR A 818 1.479 -4.357 0.936 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.930 -2.553 0.869 1.00 0.20 H new ATOM 0 HB3 TYR A 818 2.183 -2.394 2.447 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.307 -3.211 0.669 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.478 -2.763 4.490 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.517 -3.223 1.727 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.693 -2.756 5.549 1.00 0.27 H new ATOM 0 HH TYR A 818 7.858 -2.800 5.258 1.00 0.30 H new ATOM 681 N GLN A 819 3.401 -5.589 -0.024 1.00 0.17 N ATOM 682 CA GLN A 819 4.298 -6.559 -0.608 1.00 0.19 C ATOM 683 C GLN A 819 5.159 -5.881 -1.647 1.00 0.19 C ATOM 684 O GLN A 819 4.701 -4.985 -2.348 1.00 0.18 O ATOM 685 CB GLN A 819 3.508 -7.722 -1.231 1.00 0.22 C ATOM 686 CG GLN A 819 4.273 -8.491 -2.305 1.00 0.35 C ATOM 687 CD GLN A 819 3.781 -9.913 -2.487 1.00 0.45 C ATOM 688 OE1 GLN A 819 4.094 -10.794 -1.692 1.00 1.08 O ATOM 689 NE2 GLN A 819 3.011 -10.149 -3.532 1.00 0.90 N ATOM 0 H GLN A 819 2.866 -5.053 -0.707 1.00 0.17 H new ATOM 0 HA GLN A 819 4.938 -6.972 0.172 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.218 -8.414 -0.441 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.588 -7.331 -1.665 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.188 -7.960 -3.253 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.331 -8.510 -2.045 1.00 0.35 H new ATOM 0 HE21 GLN A 819 2.772 -9.391 -4.171 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.654 -11.090 -3.701 1.00 0.90 H new ATOM 698 N ASP A 820 6.404 -6.295 -1.726 1.00 0.22 N ATOM 699 CA ASP A 820 7.343 -5.672 -2.627 1.00 0.24 C ATOM 700 C ASP A 820 7.981 -6.738 -3.501 1.00 0.28 C ATOM 701 O ASP A 820 8.055 -7.911 -3.103 1.00 0.38 O ATOM 702 CB ASP A 820 8.423 -4.920 -1.844 1.00 0.31 C ATOM 703 CG ASP A 820 9.605 -5.793 -1.475 1.00 0.96 C ATOM 704 OD1 ASP A 820 9.424 -6.719 -0.663 1.00 1.73 O ATOM 705 OD2 ASP A 820 10.719 -5.548 -1.983 1.00 1.38 O ATOM 0 H ASP A 820 6.789 -7.062 -1.175 1.00 0.22 H new ATOM 0 HA ASP A 820 6.813 -4.954 -3.253 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.773 -4.076 -2.439 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.984 -4.509 -0.935 1.00 0.31 H new ATOM 710 N GLU A 821 8.243 -6.364 -4.756 1.00 0.28 N ATOM 711 CA GLU A 821 8.774 -7.284 -5.770 1.00 0.38 C ATOM 712 C GLU A 821 7.808 -8.426 -6.070 1.00 0.85 C ATOM 713 O GLU A 821 8.177 -9.396 -6.733 1.00 0.63 O ATOM 714 CB GLU A 821 10.116 -7.879 -5.335 1.00 1.20 C ATOM 715 CG GLU A 821 11.228 -6.861 -5.160 1.00 1.63 C ATOM 716 CD GLU A 821 12.573 -7.518 -4.952 1.00 2.62 C ATOM 717 OE1 GLU A 821 12.654 -8.759 -5.036 1.00 3.04 O ATOM 718 OE2 GLU A 821 13.559 -6.796 -4.691 1.00 3.38 O ATOM 0 H GLU A 821 8.094 -5.415 -5.100 1.00 0.28 H new ATOM 0 HA GLU A 821 8.911 -6.691 -6.674 1.00 0.38 H new ATOM 0 HB2 GLU A 821 9.976 -8.410 -4.394 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.429 -8.617 -6.074 1.00 1.20 H new ATOM 0 HG2 GLU A 821 11.271 -6.218 -6.039 1.00 1.63 H new ATOM 0 HG3 GLU A 821 11.002 -6.221 -4.307 1.00 1.63 H new ATOM 725 N ASP A 822 6.592 -8.327 -5.540 1.00 1.90 N ATOM 726 CA ASP A 822 5.588 -9.377 -5.701 1.00 2.86 C ATOM 727 C ASP A 822 6.124 -10.706 -5.161 1.00 2.24 C ATOM 728 O ASP A 822 6.196 -11.702 -5.884 1.00 2.49 O ATOM 729 CB ASP A 822 5.189 -9.508 -7.179 1.00 3.96 C ATOM 730 CG ASP A 822 3.913 -10.299 -7.384 1.00 5.04 C ATOM 731 OD1 ASP A 822 3.272 -10.678 -6.388 1.00 5.63 O ATOM 732 OD2 ASP A 822 3.529 -10.520 -8.552 1.00 5.45 O ATOM 0 H ASP A 822 6.276 -7.526 -4.993 1.00 1.90 H new ATOM 0 HA ASP A 822 4.699 -9.109 -5.130 1.00 2.86 H new ATOM 0 HB2 ASP A 822 5.064 -8.512 -7.605 1.00 3.96 H new ATOM 0 HB3 ASP A 822 5.999 -9.989 -7.726 1.00 3.96 H new ATOM 737 N GLY A 823 6.639 -10.674 -3.932 1.00 1.39 N ATOM 738 CA GLY A 823 7.288 -11.851 -3.380 1.00 0.79 C ATOM 739 C GLY A 823 7.366 -11.862 -1.860 1.00 0.74 C ATOM 740 O GLY A 823 7.506 -12.926 -1.255 1.00 0.91 O ATOM 0 H GLY A 823 6.618 -9.862 -3.315 1.00 1.39 H new ATOM 0 HA2 GLY A 823 6.750 -12.739 -3.712 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.297 -11.920 -3.785 1.00 0.79 H new ATOM 744 N ASP A 824 7.338 -10.692 -1.239 1.00 0.55 N ATOM 745 CA ASP A 824 7.477 -10.601 0.219 1.00 0.53 C ATOM 746 C ASP A 824 6.338 -9.785 0.808 1.00 0.40 C ATOM 747 O ASP A 824 5.866 -8.854 0.174 1.00 0.32 O ATOM 748 CB ASP A 824 8.819 -9.958 0.575 1.00 0.61 C ATOM 749 CG ASP A 824 9.043 -9.855 2.071 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.038 -10.902 2.751 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.212 -8.722 2.573 1.00 1.47 O ATOM 0 H ASP A 824 7.222 -9.795 -1.711 1.00 0.55 H new ATOM 0 HA ASP A 824 7.440 -11.606 0.638 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.625 -10.542 0.131 1.00 0.61 H new ATOM 0 HB3 ASP A 824 8.867 -8.962 0.136 1.00 0.61 H new ATOM 756 N PHE A 825 5.887 -10.149 2.006 1.00 0.43 N ATOM 757 CA PHE A 825 4.726 -9.498 2.618 1.00 0.38 C ATOM 758 C PHE A 825 5.067 -8.964 4.004 1.00 0.40 C ATOM 759 O PHE A 825 5.708 -9.633 4.816 1.00 0.47 O ATOM 760 CB PHE A 825 3.552 -10.482 2.753 1.00 0.47 C ATOM 761 CG PHE A 825 2.327 -10.130 1.945 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.290 -10.373 0.586 1.00 0.91 C ATOM 763 CD2 PHE A 825 1.207 -9.565 2.546 1.00 0.55 C ATOM 764 CE1 PHE A 825 1.169 -10.068 -0.161 1.00 1.16 C ATOM 765 CE2 PHE A 825 0.089 -9.258 1.804 1.00 0.80 C ATOM 766 CZ PHE A 825 0.067 -9.511 0.449 1.00 1.04 C ATOM 0 H PHE A 825 6.304 -10.888 2.572 1.00 0.43 H new ATOM 0 HA PHE A 825 4.442 -8.672 1.966 1.00 0.38 H new ATOM 0 HB2 PHE A 825 3.893 -11.473 2.455 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.270 -10.545 3.804 1.00 0.47 H new ATOM 0 HD1 PHE A 825 3.151 -10.808 0.100 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.215 -9.365 3.607 1.00 0.55 H new ATOM 0 HE1 PHE A 825 1.157 -10.266 -1.223 1.00 1.16 H new ATOM 0 HE2 PHE A 825 -0.773 -8.818 2.284 1.00 0.80 H new ATOM 0 HZ PHE A 825 -0.812 -9.273 -0.132 1.00 1.04 H new ATOM 776 N VAL A 826 4.686 -7.718 4.215 1.00 0.35 N ATOM 777 CA VAL A 826 4.974 -6.973 5.431 1.00 0.39 C ATOM 778 C VAL A 826 3.725 -6.199 5.825 1.00 0.31 C ATOM 779 O VAL A 826 2.906 -5.885 4.968 1.00 0.29 O ATOM 780 CB VAL A 826 6.144 -5.977 5.249 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.535 -5.341 6.576 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.346 -6.652 4.617 1.00 0.95 C ATOM 0 H VAL A 826 4.154 -7.181 3.530 1.00 0.35 H new ATOM 0 HA VAL A 826 5.266 -7.685 6.203 1.00 0.39 H new ATOM 0 HB VAL A 826 5.800 -5.190 4.578 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.359 -4.646 6.417 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.681 -4.803 6.987 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.845 -6.118 7.275 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.152 -5.927 4.502 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.682 -7.469 5.255 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.070 -7.046 3.639 1.00 0.95 H new ATOM 792 N VAL A 827 3.515 -5.977 7.105 1.00 0.33 N ATOM 793 CA VAL A 827 2.293 -5.334 7.556 1.00 0.32 C ATOM 794 C VAL A 827 2.647 -4.094 8.360 1.00 0.35 C ATOM 795 O VAL A 827 3.660 -4.063 9.059 1.00 0.40 O ATOM 796 CB VAL A 827 1.438 -6.296 8.418 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.176 -6.718 9.675 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.100 -5.669 8.777 1.00 1.22 C ATOM 0 H VAL A 827 4.167 -6.229 7.848 1.00 0.33 H new ATOM 0 HA VAL A 827 1.704 -5.055 6.682 1.00 0.32 H new ATOM 0 HB VAL A 827 1.251 -7.187 7.819 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.548 -7.393 10.257 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.099 -7.228 9.401 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.412 -5.837 10.272 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.478 -6.367 9.382 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.268 -4.752 9.342 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.450 -5.438 7.865 1.00 1.22 H new ATOM 808 N LEU A 828 1.955 -3.003 8.056 1.00 0.34 N ATOM 809 CA LEU A 828 2.348 -1.705 8.576 1.00 0.38 C ATOM 810 C LEU A 828 1.182 -0.994 9.239 1.00 0.44 C ATOM 811 O LEU A 828 0.018 -1.316 8.995 1.00 0.48 O ATOM 812 CB LEU A 828 2.972 -0.835 7.462 1.00 0.38 C ATOM 813 CG LEU A 828 2.167 -0.668 6.162 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.944 0.212 6.369 1.00 1.03 C ATOM 815 CD2 LEU A 828 3.046 -0.073 5.074 1.00 0.96 C ATOM 0 H LEU A 828 1.128 -2.993 7.459 1.00 0.34 H new ATOM 0 HA LEU A 828 3.105 -1.869 9.342 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.158 0.157 7.873 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.942 -1.261 7.205 1.00 0.38 H new ATOM 0 HG LEU A 828 1.825 -1.657 5.857 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.401 0.307 5.429 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.295 -0.238 7.120 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.259 1.199 6.707 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.465 0.040 4.159 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.412 0.902 5.395 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.892 -0.735 4.887 1.00 0.96 H new ATOM 827 N GLY A 829 1.508 -0.076 10.131 1.00 0.53 N ATOM 828 CA GLY A 829 0.489 0.637 10.870 1.00 0.63 C ATOM 829 C GLY A 829 1.067 1.774 11.681 1.00 0.73 C ATOM 830 O GLY A 829 0.403 2.780 11.924 1.00 1.20 O ATOM 0 H GLY A 829 2.466 0.190 10.359 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.255 1.029 10.176 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.028 -0.055 11.534 1.00 0.63 H new ATOM 834 N SER A 830 2.311 1.613 12.113 1.00 0.74 N ATOM 835 CA SER A 830 2.976 2.622 12.923 1.00 0.85 C ATOM 836 C SER A 830 3.563 3.738 12.056 1.00 0.98 C ATOM 837 O SER A 830 4.351 4.549 12.540 1.00 1.93 O ATOM 838 CB SER A 830 4.074 1.961 13.754 1.00 0.89 C ATOM 839 OG SER A 830 3.571 0.824 14.437 1.00 1.58 O ATOM 0 H SER A 830 2.880 0.790 11.915 1.00 0.74 H new ATOM 0 HA SER A 830 2.238 3.076 13.585 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.900 1.666 13.106 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.473 2.676 14.473 1.00 0.89 H new ATOM 0 HG SER A 830 4.289 0.414 14.962 1.00 1.58 H new ATOM 845 N ASP A 831 3.135 3.789 10.787 1.00 0.62 N ATOM 846 CA ASP A 831 3.555 4.822 9.821 1.00 0.62 C ATOM 847 C ASP A 831 5.031 4.683 9.421 1.00 0.58 C ATOM 848 O ASP A 831 5.357 4.721 8.236 1.00 0.97 O ATOM 849 CB ASP A 831 3.232 6.235 10.355 1.00 0.86 C ATOM 850 CG ASP A 831 4.439 7.145 10.537 1.00 1.20 C ATOM 851 OD1 ASP A 831 5.024 7.558 9.515 1.00 1.79 O ATOM 852 OD2 ASP A 831 4.829 7.426 11.693 1.00 1.74 O ATOM 0 H ASP A 831 2.482 3.110 10.396 1.00 0.62 H new ATOM 0 HA ASP A 831 2.979 4.669 8.909 1.00 0.62 H new ATOM 0 HB2 ASP A 831 2.534 6.715 9.670 1.00 0.86 H new ATOM 0 HB3 ASP A 831 2.722 6.137 11.313 1.00 0.86 H new ATOM 857 N GLU A 832 5.908 4.481 10.402 1.00 0.50 N ATOM 858 CA GLU A 832 7.339 4.337 10.150 1.00 0.44 C ATOM 859 C GLU A 832 7.615 3.176 9.194 1.00 0.34 C ATOM 860 O GLU A 832 8.515 3.248 8.354 1.00 0.34 O ATOM 861 CB GLU A 832 8.088 4.114 11.467 1.00 0.56 C ATOM 862 CG GLU A 832 7.791 5.151 12.545 1.00 1.41 C ATOM 863 CD GLU A 832 8.306 6.541 12.214 1.00 2.19 C ATOM 864 OE1 GLU A 832 8.876 6.716 11.115 1.00 2.62 O ATOM 865 OE2 GLU A 832 8.148 7.466 13.040 1.00 2.93 O ATOM 0 H GLU A 832 5.649 4.413 11.386 1.00 0.50 H new ATOM 0 HA GLU A 832 7.693 5.257 9.685 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.835 3.126 11.851 1.00 0.56 H new ATOM 0 HB3 GLU A 832 9.159 4.114 11.266 1.00 0.56 H new ATOM 0 HG2 GLU A 832 6.714 5.200 12.702 1.00 1.41 H new ATOM 0 HG3 GLU A 832 8.235 4.823 13.485 1.00 1.41 H new ATOM 872 N ASP A 833 6.822 2.112 9.325 1.00 0.32 N ATOM 873 CA ASP A 833 6.969 0.917 8.488 1.00 0.29 C ATOM 874 C ASP A 833 6.881 1.281 7.010 1.00 0.24 C ATOM 875 O ASP A 833 7.640 0.770 6.181 1.00 0.23 O ATOM 876 CB ASP A 833 5.880 -0.116 8.807 1.00 0.38 C ATOM 877 CG ASP A 833 5.485 -0.137 10.269 1.00 1.21 C ATOM 878 OD1 ASP A 833 6.331 -0.500 11.116 1.00 2.14 O ATOM 879 OD2 ASP A 833 4.328 0.233 10.579 1.00 1.50 O ATOM 0 H ASP A 833 6.066 2.052 10.007 1.00 0.32 H new ATOM 0 HA ASP A 833 7.948 0.488 8.703 1.00 0.29 H new ATOM 0 HB2 ASP A 833 4.998 0.097 8.203 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.232 -1.106 8.519 1.00 0.38 H new ATOM 884 N TRP A 834 5.962 2.189 6.694 1.00 0.22 N ATOM 885 CA TRP A 834 5.779 2.654 5.326 1.00 0.20 C ATOM 886 C TRP A 834 7.012 3.400 4.844 1.00 0.19 C ATOM 887 O TRP A 834 7.462 3.208 3.716 1.00 0.18 O ATOM 888 CB TRP A 834 4.548 3.556 5.220 1.00 0.23 C ATOM 889 CG TRP A 834 4.428 4.236 3.894 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.301 5.573 3.673 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.432 3.613 2.608 1.00 0.19 C ATOM 892 NE1 TRP A 834 4.223 5.820 2.327 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.301 4.633 1.651 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.535 2.290 2.175 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.270 4.371 0.285 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.506 2.032 0.822 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.375 3.065 -0.108 1.00 0.19 C ATOM 0 H TRP A 834 5.331 2.618 7.371 1.00 0.22 H new ATOM 0 HA TRP A 834 5.627 1.781 4.692 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.653 2.960 5.398 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.590 4.311 6.005 1.00 0.23 H new ATOM 0 HD1 TRP A 834 4.267 6.328 4.444 1.00 0.26 H new ATOM 0 HE1 TRP A 834 4.123 6.740 1.898 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.635 1.484 2.887 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 4.167 5.168 -0.437 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.586 1.013 0.475 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.356 2.828 -1.161 1.00 0.19 H new ATOM 908 N ASN A 835 7.574 4.229 5.714 1.00 0.22 N ATOM 909 CA ASN A 835 8.777 4.977 5.380 1.00 0.25 C ATOM 910 C ASN A 835 9.898 4.023 5.012 1.00 0.21 C ATOM 911 O ASN A 835 10.553 4.190 3.983 1.00 0.21 O ATOM 912 CB ASN A 835 9.199 5.884 6.537 1.00 0.34 C ATOM 913 CG ASN A 835 8.178 6.956 6.828 1.00 1.15 C ATOM 914 OD1 ASN A 835 7.670 6.958 8.047 1.00 1.66 O flip ATOM 915 ND2 ASN A 835 7.848 7.775 5.968 1.00 2.00 N flip ATOM 0 H ASN A 835 7.216 4.400 6.654 1.00 0.22 H new ATOM 0 HA ASN A 835 8.560 5.612 4.521 1.00 0.25 H new ATOM 0 HB2 ASN A 835 9.353 5.280 7.431 1.00 0.34 H new ATOM 0 HB3 ASN A 835 10.155 6.351 6.299 1.00 0.34 H new ATOM 0 HD21 ASN A 835 8.267 7.736 5.039 1.00 2.00 H new ATOM 0 HD22 ASN A 835 7.156 8.492 6.186 1.00 2.00 H new ATOM 922 N VAL A 836 10.005 2.941 5.774 1.00 0.22 N ATOM 923 CA VAL A 836 10.950 1.878 5.457 1.00 0.25 C ATOM 924 C VAL A 836 10.663 1.296 4.072 1.00 0.19 C ATOM 925 O VAL A 836 11.575 1.116 3.268 1.00 0.19 O ATOM 926 CB VAL A 836 10.906 0.745 6.503 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.930 -0.332 6.172 1.00 1.36 C ATOM 928 CG2 VAL A 836 11.141 1.294 7.903 1.00 1.22 C ATOM 0 H VAL A 836 9.450 2.777 6.614 1.00 0.22 H new ATOM 0 HA VAL A 836 11.945 2.322 5.468 1.00 0.25 H new ATOM 0 HB VAL A 836 9.914 0.295 6.475 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.883 -1.122 6.922 1.00 1.36 H new ATOM 0 HG12 VAL A 836 11.713 -0.751 5.189 1.00 1.36 H new ATOM 0 HG13 VAL A 836 12.929 0.105 6.167 1.00 1.36 H new ATOM 0 HG21 VAL A 836 11.106 0.478 8.625 1.00 1.22 H new ATOM 0 HG22 VAL A 836 12.118 1.774 7.946 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.367 2.024 8.142 1.00 1.22 H new ATOM 938 N ALA A 837 9.387 1.037 3.782 1.00 0.16 N ATOM 939 CA ALA A 837 8.997 0.492 2.481 1.00 0.15 C ATOM 940 C ALA A 837 9.376 1.433 1.339 1.00 0.15 C ATOM 941 O ALA A 837 9.950 0.994 0.344 1.00 0.19 O ATOM 942 CB ALA A 837 7.508 0.184 2.432 1.00 0.17 C ATOM 0 H ALA A 837 8.611 1.194 4.425 1.00 0.16 H new ATOM 0 HA ALA A 837 9.547 -0.440 2.352 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.252 -0.219 1.452 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.262 -0.548 3.201 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.941 1.098 2.608 1.00 0.17 H new ATOM 948 N LYS A 838 9.064 2.720 1.482 1.00 0.14 N ATOM 949 CA LYS A 838 9.392 3.697 0.442 1.00 0.19 C ATOM 950 C LYS A 838 10.884 3.705 0.164 1.00 0.20 C ATOM 951 O LYS A 838 11.316 3.667 -0.988 1.00 0.24 O ATOM 952 CB LYS A 838 8.989 5.109 0.847 1.00 0.23 C ATOM 953 CG LYS A 838 7.544 5.274 1.252 1.00 0.23 C ATOM 954 CD LYS A 838 7.167 6.750 1.333 1.00 0.40 C ATOM 955 CE LYS A 838 8.043 7.518 2.327 1.00 0.49 C ATOM 956 NZ LYS A 838 9.268 8.087 1.699 1.00 1.22 N ATOM 0 H LYS A 838 8.590 3.109 2.297 1.00 0.14 H new ATOM 0 HA LYS A 838 8.837 3.400 -0.448 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.621 5.426 1.677 1.00 0.23 H new ATOM 0 HB3 LYS A 838 9.195 5.781 0.014 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.900 4.769 0.532 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.376 4.798 2.218 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.260 7.202 0.345 1.00 0.40 H new ATOM 0 HD3 LYS A 838 6.121 6.840 1.628 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.459 8.325 2.770 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.333 6.851 3.139 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 10.110 7.733 2.197 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 9.311 7.801 0.700 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 9.240 9.125 1.761 1.00 1.22 H new ATOM 970 N GLU A 839 11.661 3.813 1.234 1.00 0.21 N ATOM 971 CA GLU A 839 13.108 3.856 1.126 1.00 0.26 C ATOM 972 C GLU A 839 13.626 2.563 0.523 1.00 0.27 C ATOM 973 O GLU A 839 14.459 2.586 -0.367 1.00 0.31 O ATOM 974 CB GLU A 839 13.747 4.097 2.493 1.00 0.32 C ATOM 975 CG GLU A 839 13.881 5.570 2.879 1.00 0.47 C ATOM 976 CD GLU A 839 12.573 6.333 2.907 1.00 1.34 C ATOM 977 OE1 GLU A 839 12.000 6.557 1.821 1.00 2.22 O ATOM 978 OE2 GLU A 839 12.090 6.685 4.004 1.00 1.85 O ATOM 0 H GLU A 839 11.308 3.872 2.189 1.00 0.21 H new ATOM 0 HA GLU A 839 13.380 4.684 0.472 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.153 3.588 3.252 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.737 3.640 2.503 1.00 0.32 H new ATOM 0 HG2 GLU A 839 14.346 5.634 3.863 1.00 0.47 H new ATOM 0 HG3 GLU A 839 14.556 6.057 2.175 1.00 0.47 H new ATOM 985 N MET A 840 13.048 1.448 0.950 1.00 0.27 N ATOM 986 CA MET A 840 13.373 0.140 0.392 1.00 0.31 C ATOM 987 C MET A 840 13.249 0.160 -1.132 1.00 0.34 C ATOM 988 O MET A 840 14.195 -0.174 -1.844 1.00 0.40 O ATOM 989 CB MET A 840 12.431 -0.914 0.984 1.00 0.32 C ATOM 990 CG MET A 840 12.508 -2.274 0.311 1.00 0.36 C ATOM 991 SD MET A 840 11.217 -3.395 0.885 1.00 0.76 S ATOM 992 CE MET A 840 9.737 -2.465 0.471 1.00 0.35 C ATOM 0 H MET A 840 12.345 1.423 1.688 1.00 0.27 H new ATOM 0 HA MET A 840 14.403 -0.109 0.647 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.659 -1.033 2.043 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.407 -0.547 0.917 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.423 -2.148 -0.768 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.484 -2.718 0.505 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.250 -2.130 1.387 1.00 0.35 H new ATOM 0 HE2 MET A 840 10.008 -1.599 -0.133 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.053 -3.101 -0.092 1.00 0.35 H new ATOM 1002 N LEU A 841 12.108 0.639 -1.614 1.00 0.30 N ATOM 1003 CA LEU A 841 11.861 0.763 -3.043 1.00 0.35 C ATOM 1004 C LEU A 841 12.892 1.679 -3.698 1.00 0.39 C ATOM 1005 O LEU A 841 13.576 1.291 -4.647 1.00 0.50 O ATOM 1006 CB LEU A 841 10.456 1.338 -3.281 1.00 0.33 C ATOM 1007 CG LEU A 841 9.307 0.612 -2.577 1.00 0.35 C ATOM 1008 CD1 LEU A 841 8.037 1.444 -2.641 1.00 0.62 C ATOM 1009 CD2 LEU A 841 9.070 -0.750 -3.200 1.00 0.62 C ATOM 0 H LEU A 841 11.333 0.950 -1.028 1.00 0.30 H new ATOM 0 HA LEU A 841 11.938 -0.229 -3.487 1.00 0.35 H new ATOM 0 HB2 LEU A 841 10.452 2.380 -2.960 1.00 0.33 H new ATOM 0 HB3 LEU A 841 10.260 1.334 -4.353 1.00 0.33 H new ATOM 0 HG LEU A 841 9.583 0.471 -1.532 1.00 0.35 H new ATOM 0 HD11 LEU A 841 7.229 0.914 -2.136 1.00 0.62 H new ATOM 0 HD12 LEU A 841 8.205 2.403 -2.150 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.765 1.613 -3.683 1.00 0.62 H new ATOM 0 HD21 LEU A 841 8.249 -1.248 -2.684 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.817 -0.629 -4.253 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.974 -1.353 -3.111 1.00 0.62 H new ATOM 1021 N ALA A 842 12.967 2.907 -3.203 1.00 0.36 N ATOM 1022 CA ALA A 842 13.823 3.932 -3.786 1.00 0.44 C ATOM 1023 C ALA A 842 15.304 3.568 -3.719 1.00 0.52 C ATOM 1024 O ALA A 842 16.025 3.693 -4.708 1.00 0.61 O ATOM 1025 CB ALA A 842 13.569 5.265 -3.097 1.00 0.47 C ATOM 0 H ALA A 842 12.438 3.220 -2.389 1.00 0.36 H new ATOM 0 HA ALA A 842 13.569 4.010 -4.843 1.00 0.44 H new ATOM 0 HB1 ALA A 842 14.211 6.029 -3.535 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.525 5.549 -3.228 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.789 5.173 -2.033 1.00 0.47 H new ATOM 1031 N GLU A 843 15.759 3.158 -2.546 1.00 0.53 N ATOM 1032 CA GLU A 843 17.164 2.835 -2.341 1.00 0.66 C ATOM 1033 C GLU A 843 17.573 1.618 -3.156 1.00 0.71 C ATOM 1034 O GLU A 843 18.613 1.630 -3.817 1.00 0.81 O ATOM 1035 CB GLU A 843 17.452 2.581 -0.859 1.00 0.71 C ATOM 1036 CG GLU A 843 17.287 3.809 0.022 1.00 1.45 C ATOM 1037 CD GLU A 843 17.455 3.495 1.498 1.00 2.11 C ATOM 1038 OE1 GLU A 843 17.625 2.307 1.849 1.00 2.92 O ATOM 1039 OE2 GLU A 843 17.417 4.437 2.320 1.00 2.43 O ATOM 0 H GLU A 843 15.175 3.040 -1.718 1.00 0.53 H new ATOM 0 HA GLU A 843 17.748 3.692 -2.676 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.786 1.796 -0.499 1.00 0.71 H new ATOM 0 HB3 GLU A 843 18.471 2.207 -0.756 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.018 4.563 -0.271 1.00 1.45 H new ATOM 0 HG3 GLU A 843 16.300 4.241 -0.144 1.00 1.45 H new ATOM 1046 N ASN A 844 16.799 0.542 -3.054 1.00 0.67 N ATOM 1047 CA ASN A 844 17.153 -0.694 -3.742 1.00 0.80 C ATOM 1048 C ASN A 844 17.021 -0.535 -5.254 1.00 0.79 C ATOM 1049 O ASN A 844 18.028 -0.570 -5.959 1.00 1.11 O ATOM 1050 CB ASN A 844 16.294 -1.868 -3.262 1.00 0.85 C ATOM 1051 CG ASN A 844 16.526 -2.254 -1.803 1.00 0.97 C ATOM 1052 OD1 ASN A 844 17.218 -1.414 -1.044 1.00 1.53 O flip ATOM 1053 ND2 ASN A 844 16.054 -3.299 -1.352 1.00 1.15 N flip ATOM 0 H ASN A 844 15.937 0.500 -2.511 1.00 0.67 H new ATOM 0 HA ASN A 844 18.194 -0.911 -3.502 1.00 0.80 H new ATOM 0 HB2 ASN A 844 15.243 -1.614 -3.397 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.496 -2.734 -3.892 1.00 0.85 H new ATOM 0 HD21 ASN A 844 15.526 -3.925 -1.961 1.00 1.15 H new ATOM 0 HD22 ASN A 844 16.191 -3.538 -0.370 1.00 1.15 H new ATOM 1060 N ASN A 845 15.793 -0.198 -5.704 1.00 0.62 N ATOM 1061 CA ASN A 845 15.476 0.074 -7.126 1.00 0.71 C ATOM 1062 C ASN A 845 14.010 -0.249 -7.406 1.00 0.61 C ATOM 1063 O ASN A 845 13.436 0.221 -8.390 1.00 0.71 O ATOM 1064 CB ASN A 845 16.357 -0.720 -8.122 1.00 0.92 C ATOM 1065 CG ASN A 845 16.175 -2.232 -8.057 1.00 1.38 C ATOM 1066 OD1 ASN A 845 15.109 -2.768 -8.364 1.00 1.90 O ATOM 1067 ND2 ASN A 845 17.231 -2.933 -7.683 1.00 1.48 N ATOM 0 H ASN A 845 14.986 -0.106 -5.087 1.00 0.62 H new ATOM 0 HA ASN A 845 15.683 1.133 -7.281 1.00 0.71 H new ATOM 0 HB2 ASN A 845 16.134 -0.383 -9.134 1.00 0.92 H new ATOM 0 HB3 ASN A 845 17.404 -0.484 -7.931 1.00 0.92 H new ATOM 0 HD21 ASN A 845 17.179 -3.951 -7.642 1.00 1.48 H new ATOM 0 HD22 ASN A 845 18.098 -2.456 -7.436 1.00 1.48 H new ATOM 1074 N GLU A 846 13.465 -1.165 -6.612 1.00 0.55 N ATOM 1075 CA GLU A 846 12.128 -1.704 -6.840 1.00 0.63 C ATOM 1076 C GLU A 846 11.046 -0.645 -6.623 1.00 0.73 C ATOM 1077 O GLU A 846 11.318 0.452 -6.140 1.00 1.49 O ATOM 1078 CB GLU A 846 11.908 -2.916 -5.921 1.00 0.77 C ATOM 1079 CG GLU A 846 10.613 -3.671 -6.175 1.00 1.40 C ATOM 1080 CD GLU A 846 10.439 -4.040 -7.631 1.00 2.19 C ATOM 1081 OE1 GLU A 846 11.210 -4.876 -8.135 1.00 2.54 O ATOM 1082 OE2 GLU A 846 9.547 -3.461 -8.285 1.00 2.97 O ATOM 0 H GLU A 846 13.936 -1.554 -5.795 1.00 0.55 H new ATOM 0 HA GLU A 846 12.052 -2.021 -7.880 1.00 0.63 H new ATOM 0 HB2 GLU A 846 12.745 -3.604 -6.041 1.00 0.77 H new ATOM 0 HB3 GLU A 846 11.920 -2.578 -4.885 1.00 0.77 H new ATOM 0 HG2 GLU A 846 10.598 -4.577 -5.569 1.00 1.40 H new ATOM 0 HG3 GLU A 846 9.770 -3.059 -5.854 1.00 1.40 H new ATOM 1089 N LYS A 847 9.826 -0.972 -7.023 1.00 0.42 N ATOM 1090 CA LYS A 847 8.701 -0.066 -6.889 1.00 0.37 C ATOM 1091 C LYS A 847 7.380 -0.839 -6.820 1.00 0.35 C ATOM 1092 O LYS A 847 6.382 -0.313 -6.325 1.00 0.44 O ATOM 1093 CB LYS A 847 8.682 0.937 -8.048 1.00 0.44 C ATOM 1094 CG LYS A 847 7.597 1.996 -7.926 1.00 0.63 C ATOM 1095 CD LYS A 847 7.818 3.145 -8.895 1.00 1.29 C ATOM 1096 CE LYS A 847 9.092 3.909 -8.574 1.00 1.80 C ATOM 1097 NZ LYS A 847 9.311 5.040 -9.511 1.00 2.40 N ATOM 0 H LYS A 847 9.591 -1.869 -7.447 1.00 0.42 H new ATOM 0 HA LYS A 847 8.816 0.485 -5.956 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.653 1.430 -8.106 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.544 0.395 -8.983 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.624 1.543 -8.116 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.577 2.380 -6.906 1.00 0.63 H new ATOM 0 HD2 LYS A 847 7.871 2.758 -9.913 1.00 1.29 H new ATOM 0 HD3 LYS A 847 6.966 3.824 -8.856 1.00 1.29 H new ATOM 0 HE2 LYS A 847 9.040 4.288 -7.553 1.00 1.80 H new ATOM 0 HE3 LYS A 847 9.944 3.230 -8.619 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 10.190 5.535 -9.258 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 9.386 4.676 -10.483 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 8.511 5.702 -9.450 1.00 2.40 H new ATOM 1111 N PHE A 848 7.364 -2.072 -7.340 1.00 0.32 N ATOM 1112 CA PHE A 848 6.146 -2.879 -7.338 1.00 0.30 C ATOM 1113 C PHE A 848 5.649 -3.078 -5.916 1.00 0.24 C ATOM 1114 O PHE A 848 6.383 -3.583 -5.058 1.00 0.21 O ATOM 1115 CB PHE A 848 6.390 -4.250 -7.973 1.00 0.31 C ATOM 1116 CG PHE A 848 5.139 -4.882 -8.524 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.589 -4.414 -9.706 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.523 -5.947 -7.878 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.450 -4.991 -10.233 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.385 -6.528 -8.406 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.849 -6.049 -9.584 1.00 0.52 C ATOM 0 H PHE A 848 8.174 -2.526 -7.763 1.00 0.32 H new ATOM 0 HA PHE A 848 5.397 -2.345 -7.923 1.00 0.30 H new ATOM 0 HB2 PHE A 848 7.120 -4.146 -8.776 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.827 -4.915 -7.228 1.00 0.31 H new ATOM 0 HD1 PHE A 848 5.056 -3.588 -10.222 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.937 -6.324 -6.955 1.00 0.35 H new ATOM 0 HE1 PHE A 848 3.030 -4.613 -11.154 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.916 -7.357 -7.897 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.960 -6.502 -9.997 1.00 0.52 H new ATOM 1131 N LEU A 849 4.405 -2.701 -5.677 1.00 0.22 N ATOM 1132 CA LEU A 849 3.822 -2.799 -4.355 1.00 0.18 C ATOM 1133 C LEU A 849 2.481 -3.524 -4.412 1.00 0.17 C ATOM 1134 O LEU A 849 1.742 -3.428 -5.392 1.00 0.19 O ATOM 1135 CB LEU A 849 3.642 -1.403 -3.751 1.00 0.20 C ATOM 1136 CG LEU A 849 3.390 -1.370 -2.245 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.567 -1.969 -1.493 1.00 0.56 C ATOM 1138 CD2 LEU A 849 3.152 0.053 -1.796 1.00 0.55 C ATOM 0 H LEU A 849 3.778 -2.323 -6.387 1.00 0.22 H new ATOM 0 HA LEU A 849 4.499 -3.373 -3.722 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.534 -0.814 -3.966 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.808 -0.913 -4.253 1.00 0.20 H new ATOM 0 HG LEU A 849 2.504 -1.966 -2.025 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.369 -1.937 -0.422 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.709 -3.004 -1.805 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.468 -1.397 -1.713 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.973 0.070 -0.721 1.00 0.55 H new ATOM 0 HD22 LEU A 849 4.028 0.659 -2.028 1.00 0.55 H new ATOM 0 HD23 LEU A 849 2.283 0.458 -2.315 1.00 0.55 H new ATOM 1150 N ASN A 850 2.199 -4.280 -3.372 1.00 0.16 N ATOM 1151 CA ASN A 850 0.958 -5.029 -3.268 1.00 0.17 C ATOM 1152 C ASN A 850 0.373 -4.824 -1.881 1.00 0.17 C ATOM 1153 O ASN A 850 1.117 -4.606 -0.936 1.00 0.16 O ATOM 1154 CB ASN A 850 1.202 -6.521 -3.523 1.00 0.19 C ATOM 1155 CG ASN A 850 1.715 -6.805 -4.923 1.00 0.34 C ATOM 1156 OD1 ASN A 850 2.966 -7.230 -5.022 1.00 0.96 O flip ATOM 1157 ND2 ASN A 850 1.005 -6.627 -5.910 1.00 0.45 N flip ATOM 0 H ASN A 850 2.822 -4.395 -2.573 1.00 0.16 H new ATOM 0 HA ASN A 850 0.257 -4.669 -4.021 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.921 -6.896 -2.795 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.273 -7.068 -3.364 1.00 0.19 H new ATOM 0 HD21 ASN A 850 0.046 -6.299 -5.796 1.00 0.45 H new ATOM 0 HD22 ASN A 850 1.375 -6.807 -6.843 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.944 -4.780 -1.773 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.589 -4.509 -0.491 1.00 0.21 C ATOM 1166 C ILE A 851 -2.632 -5.567 -0.179 1.00 0.24 C ATOM 1167 O ILE A 851 -3.510 -5.842 -0.996 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.296 -3.124 -0.430 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.278 -2.377 -1.770 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -1.684 -2.252 0.648 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.938 -1.760 -2.139 1.00 0.28 C ATOM 0 H ILE A 851 -1.588 -4.927 -2.550 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.781 -4.518 0.240 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.339 -3.330 -0.189 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.573 -3.068 -2.559 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -3.029 -1.588 -1.740 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -2.195 -1.289 0.671 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -1.789 -2.742 1.616 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -0.627 -2.096 0.433 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -1.023 -1.254 -3.101 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.646 -1.040 -1.375 1.00 0.28 H new ATOM 0 HD13 ILE A 851 -0.183 -2.543 -2.207 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.570 -6.125 1.020 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.559 -7.079 1.441 1.00 0.37 C ATOM 1185 C ARG A 852 -4.406 -6.523 2.569 1.00 0.39 C ATOM 1186 O ARG A 852 -3.925 -6.371 3.690 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.919 -8.376 1.891 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.939 -9.471 2.137 1.00 0.60 C ATOM 1189 CD ARG A 852 -3.284 -10.807 2.420 1.00 0.70 C ATOM 1190 NE ARG A 852 -4.274 -11.866 2.616 1.00 1.27 N ATOM 1191 CZ ARG A 852 -3.975 -13.155 2.769 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -2.711 -13.564 2.729 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -4.944 -14.042 2.943 1.00 2.38 N ATOM 0 H ARG A 852 -1.845 -5.929 1.710 1.00 0.30 H new ATOM 0 HA ARG A 852 -4.195 -7.280 0.579 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -2.209 -8.709 1.134 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.352 -8.200 2.805 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.573 -9.193 2.979 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -4.588 -9.563 1.266 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -2.627 -11.072 1.592 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -2.659 -10.724 3.309 1.00 0.70 H new ATOM 0 HE ARG A 852 -5.258 -11.600 2.637 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -1.961 -12.889 2.580 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -2.491 -14.553 2.847 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -5.917 -13.737 2.960 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -4.717 -15.029 3.060 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.698 -6.410 2.318 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.648 -6.127 3.374 1.00 0.54 C ATOM 1209 C LEU A 853 -7.515 -7.358 3.568 1.00 0.63 C ATOM 1210 O LEU A 853 -7.759 -8.102 2.610 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.489 -4.851 3.126 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.866 -4.481 1.673 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.637 -4.071 0.870 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -8.614 -5.612 0.981 1.00 1.56 C ATOM 0 H LEU A 853 -6.112 -6.510 1.391 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.097 -5.908 4.289 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.415 -4.950 3.693 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -6.944 -4.008 3.551 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.538 -3.624 1.723 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.935 -3.817 -0.147 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -6.169 -3.205 1.338 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -5.927 -4.898 0.844 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -8.862 -5.314 -0.038 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -7.986 -6.502 0.956 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -9.531 -5.830 1.528 1.00 1.56 H new ATOM 1226 N TYR A 854 -7.700 -7.734 4.813 1.00 0.99 N ATOM 1227 CA TYR A 854 -8.227 -9.051 5.121 1.00 1.08 C ATOM 1228 C TYR A 854 -9.152 -8.997 6.327 1.00 1.25 C ATOM 1229 O TYR A 854 -9.405 -7.887 6.829 1.00 1.67 O ATOM 1230 CB TYR A 854 -7.049 -10.004 5.370 1.00 0.91 C ATOM 1231 CG TYR A 854 -6.063 -9.476 6.387 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -6.290 -9.655 7.745 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -4.901 -8.828 5.997 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -5.390 -9.199 8.682 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -3.993 -8.370 6.930 1.00 0.86 C ATOM 1236 CZ TYR A 854 -4.263 -8.454 8.240 1.00 0.79 C ATOM 1237 OH TYR A 854 -3.338 -8.101 9.208 1.00 0.92 O ATOM 1238 OXT TYR A 854 -9.647 -10.062 6.752 1.00 1.77 O ATOM 0 H TYR A 854 -7.496 -7.153 5.627 1.00 0.99 H new ATOM 0 HA TYR A 854 -8.818 -9.415 4.280 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -7.433 -10.965 5.711 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -6.530 -10.184 4.429 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -7.187 -10.160 8.072 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -4.703 -8.679 4.946 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -5.537 -9.403 9.732 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -3.058 -7.941 6.602 1.00 0.86 H new ATOM 0 HH TYR A 854 -2.608 -7.595 8.794 1.00 0.92 H new