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 782 THR OG1 : rot -68:sc= 1.23 USER MOD Set 1.2: A 819 GLN : amide:sc= -0.664 X(o=0.23,f=-0.0089) USER MOD Set 1.3: A 850 ASN : amide:sc= -0.341 K(o=0.23,f=-0.78) USER MOD Single : A 787 LYS NZ :NH3+ -107:sc= 1.08 (180deg=-0.771) USER MOD Single : A 790 ASN : amide:sc= 0.244 K(o=0.24,f=-3!) USER MOD Single : A 796 MET CE :methyl -169:sc= -0.143 (180deg=-0.351) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.462 F(o=-3.7!,f=-0.46) USER MOD Single : A 800 SER OG : rot 77:sc= 1.04 USER MOD Single : A 801 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00408) USER MOD Single : A 814 THR OG1 : rot -7:sc= 0.915 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 818 TYR OH : rot 180:sc=-0.00442 USER MOD Single : A 830 SER OG : rot 16:sc= 0.652 USER MOD Single : A 835 ASN :FLIP amide:sc= -0.0143 F(o=-1.8!,f=-0.014) USER MOD Single : A 838 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 840 MET CE :methyl 157:sc= -4.53! (180deg=-6.01!) USER MOD Single : A 844 ASN : amide:sc= 0.545 K(o=0.55,f=-0.038) USER MOD Single : A 845 ASN : amide:sc= 0.871 K(o=0.87,f=-0.019) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 854 TYR OH : rot 100:sc= -0.507 USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -8.409 -9.992 -0.642 1.00 0.78 N ATOM 15 CA GLU A 779 -8.219 -9.680 -2.042 1.00 0.85 C ATOM 16 C GLU A 779 -6.875 -9.004 -2.226 1.00 0.75 C ATOM 17 O GLU A 779 -6.476 -8.156 -1.421 1.00 1.17 O ATOM 18 CB GLU A 779 -9.350 -8.797 -2.575 1.00 1.60 C ATOM 19 CG GLU A 779 -9.409 -7.412 -1.953 1.00 1.95 C ATOM 20 CD GLU A 779 -10.581 -6.610 -2.469 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.732 -6.969 -2.149 1.00 2.92 O ATOM 22 OE2 GLU A 779 -10.362 -5.637 -3.219 1.00 3.25 O ATOM 0 HA GLU A 779 -8.238 -10.608 -2.614 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -9.236 -8.693 -3.654 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -10.301 -9.301 -2.402 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -9.481 -7.504 -0.869 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -8.483 -6.879 -2.166 1.00 1.95 H new ATOM 29 N ILE A 780 -6.151 -9.425 -3.239 1.00 0.62 N ATOM 30 CA ILE A 780 -4.860 -8.844 -3.519 1.00 0.43 C ATOM 31 C ILE A 780 -5.042 -7.575 -4.339 1.00 0.37 C ATOM 32 O ILE A 780 -5.921 -7.493 -5.198 1.00 0.49 O ATOM 33 CB ILE A 780 -3.919 -9.838 -4.245 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.561 -9.189 -4.541 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.557 -10.353 -5.527 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.788 -8.790 -3.299 1.00 0.51 C ATOM 0 H ILE A 780 -6.434 -10.166 -3.880 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.385 -8.598 -2.569 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.754 -10.687 -3.582 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.957 -9.883 -5.126 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.719 -8.305 -5.159 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.877 -11.049 -6.018 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.490 -10.864 -5.289 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.762 -9.515 -6.193 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.840 -8.339 -3.590 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.371 -8.071 -2.723 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.597 -9.673 -2.690 1.00 0.51 H new ATOM 48 N PHE A 781 -4.274 -6.565 -4.002 1.00 0.28 N ATOM 49 CA PHE A 781 -4.372 -5.278 -4.652 1.00 0.26 C ATOM 50 C PHE A 781 -3.000 -4.868 -5.135 1.00 0.22 C ATOM 51 O PHE A 781 -1.995 -5.246 -4.544 1.00 0.21 O ATOM 52 CB PHE A 781 -4.948 -4.230 -3.691 1.00 0.29 C ATOM 53 CG PHE A 781 -5.085 -2.858 -4.299 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.610 -2.706 -5.567 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.702 -1.723 -3.597 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.757 -1.457 -6.128 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.850 -0.467 -4.153 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.294 -0.326 -5.416 1.00 0.52 C ATOM 0 H PHE A 781 -3.565 -6.612 -3.271 1.00 0.28 H new ATOM 0 HA PHE A 781 -5.048 -5.350 -5.504 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.927 -4.565 -3.348 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.307 -4.165 -2.812 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.910 -3.579 -6.127 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.284 -1.823 -2.606 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.219 -1.343 -7.097 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.608 0.409 -3.570 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.297 0.647 -5.884 1.00 0.52 H new ATOM 68 N THR A 782 -2.960 -4.191 -6.262 1.00 0.23 N ATOM 69 CA THR A 782 -1.707 -3.839 -6.889 1.00 0.23 C ATOM 70 C THR A 782 -1.668 -2.347 -7.150 1.00 0.23 C ATOM 71 O THR A 782 -2.659 -1.750 -7.575 1.00 0.25 O ATOM 72 CB THR A 782 -1.529 -4.603 -8.214 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.523 -6.013 -7.960 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.241 -4.201 -8.915 1.00 1.34 C ATOM 0 H THR A 782 -3.788 -3.872 -6.765 1.00 0.23 H new ATOM 0 HA THR A 782 -0.893 -4.114 -6.218 1.00 0.23 H new ATOM 0 HB THR A 782 -2.363 -4.349 -8.868 1.00 0.29 H new ATOM 0 HG1 THR A 782 -0.711 -6.253 -7.467 1.00 1.39 H new ATOM 0 HG21 THR A 782 -0.145 -4.758 -9.847 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.263 -3.133 -9.131 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.609 -4.424 -8.270 1.00 1.34 H new ATOM 82 N LEU A 783 -0.582 -1.739 -6.724 1.00 0.22 N ATOM 83 CA LEU A 783 -0.445 -0.305 -6.748 1.00 0.21 C ATOM 84 C LEU A 783 1.020 0.052 -6.944 1.00 0.21 C ATOM 85 O LEU A 783 1.902 -0.688 -6.533 1.00 0.23 O ATOM 86 CB LEU A 783 -0.980 0.270 -5.433 1.00 0.26 C ATOM 87 CG LEU A 783 -1.145 1.785 -5.385 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.008 2.264 -6.538 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.756 2.204 -4.059 1.00 0.61 C ATOM 0 H LEU A 783 0.231 -2.229 -6.351 1.00 0.22 H new ATOM 0 HA LEU A 783 -1.018 0.120 -7.572 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.947 -0.188 -5.226 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.308 -0.028 -4.629 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.161 2.244 -5.478 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.115 3.348 -6.487 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.538 1.990 -7.483 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.992 1.799 -6.474 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.869 3.288 -4.037 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.733 1.735 -3.944 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -1.105 1.890 -3.243 1.00 0.61 H new ATOM 101 N LEU A 784 1.280 1.120 -7.658 1.00 0.20 N ATOM 102 CA LEU A 784 2.644 1.492 -7.973 1.00 0.22 C ATOM 103 C LEU A 784 2.853 2.947 -7.593 1.00 0.21 C ATOM 104 O LEU A 784 2.094 3.817 -8.021 1.00 0.23 O ATOM 105 CB LEU A 784 2.896 1.230 -9.463 1.00 0.29 C ATOM 106 CG LEU A 784 4.321 1.421 -9.965 1.00 0.91 C ATOM 107 CD1 LEU A 784 4.671 0.333 -10.966 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.464 2.787 -10.613 1.00 1.45 C ATOM 0 H LEU A 784 0.569 1.748 -8.033 1.00 0.20 H new ATOM 0 HA LEU A 784 3.361 0.897 -7.408 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.593 0.206 -9.683 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.243 1.886 -10.038 1.00 0.29 H new ATOM 0 HG LEU A 784 5.005 1.356 -9.119 1.00 0.91 H new ATOM 0 HD11 LEU A 784 5.692 0.478 -11.319 1.00 1.53 H new ATOM 0 HD12 LEU A 784 4.588 -0.643 -10.487 1.00 1.53 H new ATOM 0 HD13 LEU A 784 3.984 0.382 -11.811 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.486 2.916 -10.969 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.774 2.865 -11.453 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.234 3.562 -9.882 1.00 1.45 H new ATOM 120 N VAL A 785 3.706 3.157 -6.593 1.00 0.22 N ATOM 121 CA VAL A 785 3.833 4.464 -5.960 1.00 0.25 C ATOM 122 C VAL A 785 4.340 5.514 -6.958 1.00 0.34 C ATOM 123 O VAL A 785 5.468 5.447 -7.446 1.00 0.79 O ATOM 124 CB VAL A 785 4.726 4.397 -4.685 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.160 3.389 -3.697 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.168 4.043 -5.014 1.00 1.10 C ATOM 0 H VAL A 785 4.318 2.439 -6.205 1.00 0.22 H new ATOM 0 HA VAL A 785 2.840 4.775 -5.636 1.00 0.25 H new ATOM 0 HB VAL A 785 4.723 5.390 -4.236 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.794 3.353 -2.811 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.152 3.688 -3.410 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.128 2.403 -4.161 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.753 4.008 -4.095 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.201 3.069 -5.503 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.585 4.798 -5.681 1.00 1.10 H new ATOM 136 N GLU A 786 3.421 6.369 -7.392 1.00 0.69 N ATOM 137 CA GLU A 786 3.687 7.320 -8.469 1.00 0.81 C ATOM 138 C GLU A 786 4.648 8.416 -8.025 1.00 0.87 C ATOM 139 O GLU A 786 5.578 8.768 -8.746 1.00 1.56 O ATOM 140 CB GLU A 786 2.376 7.930 -8.961 1.00 0.99 C ATOM 141 CG GLU A 786 1.382 6.904 -9.489 1.00 1.51 C ATOM 142 CD GLU A 786 1.845 6.230 -10.770 1.00 2.26 C ATOM 143 OE1 GLU A 786 2.890 6.632 -11.320 1.00 2.59 O ATOM 144 OE2 GLU A 786 1.144 5.310 -11.249 1.00 3.06 O ATOM 0 H GLU A 786 2.476 6.424 -7.011 1.00 0.69 H new ATOM 0 HA GLU A 786 4.162 6.778 -9.287 1.00 0.81 H new ATOM 0 HB2 GLU A 786 1.914 8.483 -8.143 1.00 0.99 H new ATOM 0 HB3 GLU A 786 2.594 8.650 -9.750 1.00 0.99 H new ATOM 0 HG2 GLU A 786 1.214 6.144 -8.726 1.00 1.51 H new ATOM 0 HG3 GLU A 786 0.425 7.393 -9.668 1.00 1.51 H new ATOM 151 N LYS A 787 4.457 8.919 -6.814 1.00 0.91 N ATOM 152 CA LYS A 787 5.363 9.917 -6.263 1.00 1.01 C ATOM 153 C LYS A 787 5.618 9.650 -4.785 1.00 0.96 C ATOM 154 O LYS A 787 5.512 10.549 -3.952 1.00 1.58 O ATOM 155 CB LYS A 787 4.860 11.354 -6.510 1.00 1.17 C ATOM 156 CG LYS A 787 3.349 11.561 -6.417 1.00 1.21 C ATOM 157 CD LYS A 787 2.847 11.532 -4.984 1.00 1.35 C ATOM 158 CE LYS A 787 1.612 12.404 -4.800 1.00 1.27 C ATOM 159 NZ LYS A 787 0.554 12.120 -5.805 1.00 1.80 N ATOM 0 H LYS A 787 3.688 8.655 -6.198 1.00 0.91 H new ATOM 0 HA LYS A 787 6.314 9.830 -6.789 1.00 1.01 H new ATOM 0 HB2 LYS A 787 5.342 12.015 -5.790 1.00 1.17 H new ATOM 0 HB3 LYS A 787 5.189 11.668 -7.501 1.00 1.17 H new ATOM 0 HG2 LYS A 787 3.087 12.517 -6.871 1.00 1.21 H new ATOM 0 HG3 LYS A 787 2.843 10.786 -6.992 1.00 1.21 H new ATOM 0 HD2 LYS A 787 2.613 10.506 -4.702 1.00 1.35 H new ATOM 0 HD3 LYS A 787 3.637 11.874 -4.315 1.00 1.35 H new ATOM 0 HE2 LYS A 787 1.208 12.248 -3.800 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.900 13.453 -4.868 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 0.510 12.899 -6.493 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 0.775 11.233 -6.300 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 -0.365 12.029 -5.326 1.00 1.80 H new ATOM 173 N VAL A 788 5.970 8.391 -4.503 1.00 0.66 N ATOM 174 CA VAL A 788 6.311 7.875 -3.164 1.00 0.61 C ATOM 175 C VAL A 788 5.128 7.892 -2.183 1.00 0.70 C ATOM 176 O VAL A 788 4.918 6.914 -1.470 1.00 1.70 O ATOM 177 CB VAL A 788 7.569 8.556 -2.545 1.00 0.70 C ATOM 178 CG1 VAL A 788 7.255 9.847 -1.808 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.279 7.599 -1.612 1.00 1.21 C ATOM 0 H VAL A 788 6.029 7.673 -5.225 1.00 0.66 H new ATOM 0 HA VAL A 788 6.565 6.828 -3.331 1.00 0.61 H new ATOM 0 HB VAL A 788 8.216 8.817 -3.382 1.00 0.70 H new ATOM 0 HG11 VAL A 788 8.175 10.268 -1.403 1.00 0.87 H new ATOM 0 HG12 VAL A 788 6.804 10.560 -2.498 1.00 0.87 H new ATOM 0 HG13 VAL A 788 6.560 9.641 -0.994 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.156 8.088 -1.187 1.00 1.21 H new ATOM 0 HG22 VAL A 788 7.603 7.305 -0.809 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.591 6.714 -2.167 1.00 1.21 H new ATOM 189 N TRP A 789 4.339 8.969 -2.195 1.00 0.50 N ATOM 190 CA TRP A 789 3.152 9.107 -1.341 1.00 0.33 C ATOM 191 C TRP A 789 3.515 9.203 0.137 1.00 0.29 C ATOM 192 O TRP A 789 4.110 8.294 0.712 1.00 0.34 O ATOM 193 CB TRP A 789 2.182 7.942 -1.543 1.00 0.32 C ATOM 194 CG TRP A 789 1.598 7.867 -2.916 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.307 8.908 -3.741 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.234 6.681 -3.620 1.00 0.34 C ATOM 197 NE1 TRP A 789 0.777 8.439 -4.915 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.717 7.077 -4.862 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.290 5.322 -3.316 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.261 6.163 -5.802 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.838 4.414 -4.249 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.326 4.838 -5.480 1.00 0.44 C ATOM 0 H TRP A 789 4.504 9.774 -2.799 1.00 0.50 H new ATOM 0 HA TRP A 789 2.669 10.037 -1.641 1.00 0.33 H new ATOM 0 HB2 TRP A 789 2.702 7.008 -1.329 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.372 8.028 -0.819 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.469 9.950 -3.506 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.476 9.015 -5.701 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.680 4.987 -2.367 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 -0.131 6.489 -6.754 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.880 3.358 -4.026 1.00 0.40 H new ATOM 0 HH2 TRP A 789 -0.025 4.103 -6.189 1.00 0.44 H new ATOM 213 N ASN A 790 3.022 10.239 0.785 1.00 0.29 N ATOM 214 CA ASN A 790 3.196 10.392 2.223 1.00 0.32 C ATOM 215 C ASN A 790 2.118 9.614 2.983 1.00 0.37 C ATOM 216 O ASN A 790 1.560 10.098 3.967 1.00 0.82 O ATOM 217 CB ASN A 790 3.176 11.873 2.611 1.00 0.39 C ATOM 218 CG ASN A 790 1.850 12.549 2.302 1.00 1.20 C ATOM 219 OD1 ASN A 790 1.414 12.598 1.152 1.00 2.06 O ATOM 220 ND2 ASN A 790 1.199 13.066 3.332 1.00 1.79 N ATOM 0 H ASN A 790 2.496 10.992 0.341 1.00 0.29 H new ATOM 0 HA ASN A 790 4.167 9.981 2.499 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.386 11.967 3.676 1.00 0.39 H new ATOM 0 HB3 ASN A 790 3.975 12.393 2.082 1.00 0.39 H new ATOM 0 HD21 ASN A 790 0.300 13.527 3.188 1.00 1.79 H new ATOM 0 HD22 ASN A 790 1.596 13.004 4.270 1.00 1.79 H new ATOM 227 N PHE A 791 1.850 8.398 2.503 1.00 0.30 N ATOM 228 CA PHE A 791 0.869 7.480 3.096 1.00 0.25 C ATOM 229 C PHE A 791 -0.566 7.936 2.846 1.00 0.23 C ATOM 230 O PHE A 791 -1.386 7.152 2.388 1.00 0.21 O ATOM 231 CB PHE A 791 1.114 7.295 4.596 1.00 0.28 C ATOM 232 CG PHE A 791 0.252 6.241 5.231 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.273 4.937 4.762 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.576 6.554 6.297 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.515 3.965 5.346 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.366 5.584 6.884 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.336 4.288 6.407 1.00 0.42 C ATOM 0 H PHE A 791 2.314 8.015 1.679 1.00 0.30 H new ATOM 0 HA PHE A 791 1.003 6.518 2.602 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.161 7.037 4.753 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.941 8.245 5.102 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.912 4.678 3.931 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.604 7.566 6.673 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.489 2.952 4.972 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.007 5.839 7.715 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.954 3.529 6.864 1.00 0.42 H new ATOM 247 N ASP A 792 -0.865 9.195 3.135 1.00 0.26 N ATOM 248 CA ASP A 792 -2.212 9.730 2.941 1.00 0.29 C ATOM 249 C ASP A 792 -2.626 9.630 1.473 1.00 0.25 C ATOM 250 O ASP A 792 -3.729 9.170 1.153 1.00 0.26 O ATOM 251 CB ASP A 792 -2.273 11.184 3.421 1.00 0.38 C ATOM 252 CG ASP A 792 -3.678 11.756 3.413 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.210 12.045 2.322 1.00 1.86 O ATOM 254 OD2 ASP A 792 -4.264 11.915 4.505 1.00 1.74 O ATOM 0 H ASP A 792 -0.194 9.868 3.505 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.911 9.137 3.530 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.869 11.244 4.432 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.634 11.797 2.785 1.00 0.38 H new ATOM 259 N ASP A 793 -1.695 9.960 0.583 1.00 0.24 N ATOM 260 CA ASP A 793 -1.927 9.847 -0.854 1.00 0.23 C ATOM 261 C ASP A 793 -2.044 8.383 -1.260 1.00 0.19 C ATOM 262 O ASP A 793 -2.917 8.009 -2.038 1.00 0.18 O ATOM 263 CB ASP A 793 -0.795 10.510 -1.639 1.00 0.28 C ATOM 264 CG ASP A 793 -1.308 11.550 -2.618 1.00 0.75 C ATOM 265 OD1 ASP A 793 -1.900 12.554 -2.170 1.00 1.36 O ATOM 266 OD2 ASP A 793 -1.127 11.366 -3.839 1.00 1.16 O ATOM 0 H ASP A 793 -0.770 10.309 0.832 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.861 10.358 -1.086 1.00 0.23 H new ATOM 0 HB2 ASP A 793 -0.100 10.980 -0.943 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.236 9.747 -2.181 1.00 0.28 H new ATOM 271 N LEU A 794 -1.200 7.554 -0.663 1.00 0.18 N ATOM 272 CA LEU A 794 -1.235 6.117 -0.893 1.00 0.17 C ATOM 273 C LEU A 794 -2.582 5.540 -0.452 1.00 0.16 C ATOM 274 O LEU A 794 -3.186 4.745 -1.168 1.00 0.16 O ATOM 275 CB LEU A 794 -0.060 5.453 -0.151 1.00 0.19 C ATOM 276 CG LEU A 794 -0.271 3.998 0.277 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.237 3.071 -0.928 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.774 3.584 1.297 1.00 0.22 C ATOM 0 H LEU A 794 -0.477 7.855 -0.010 1.00 0.18 H new ATOM 0 HA LEU A 794 -1.128 5.912 -1.958 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.820 5.498 -0.792 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.162 6.043 0.738 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.254 3.919 0.740 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.389 2.043 -0.600 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.027 3.351 -1.624 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.730 3.155 -1.424 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.607 2.547 1.589 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.768 3.683 0.860 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.699 4.225 2.176 1.00 0.22 H new ATOM 290 N ILE A 795 -3.077 6.005 0.689 1.00 0.18 N ATOM 291 CA ILE A 795 -4.364 5.565 1.215 1.00 0.20 C ATOM 292 C ILE A 795 -5.514 5.918 0.273 1.00 0.19 C ATOM 293 O ILE A 795 -6.311 5.051 -0.084 1.00 0.20 O ATOM 294 CB ILE A 795 -4.635 6.174 2.612 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.744 5.502 3.661 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.105 6.048 2.994 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.952 4.005 3.768 1.00 0.48 C ATOM 0 H ILE A 795 -2.601 6.693 1.273 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.311 4.480 1.303 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.394 7.236 2.574 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.700 5.698 3.417 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.936 5.957 4.633 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.263 6.485 3.980 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.718 6.574 2.262 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.387 4.995 3.014 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.287 3.599 4.530 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.987 3.800 4.042 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.732 3.538 2.808 1.00 0.48 H new ATOM 309 N MET A 796 -5.594 7.182 -0.137 1.00 0.22 N ATOM 310 CA MET A 796 -6.671 7.618 -1.025 1.00 0.26 C ATOM 311 C MET A 796 -6.593 6.877 -2.360 1.00 0.22 C ATOM 312 O MET A 796 -7.620 6.498 -2.928 1.00 0.23 O ATOM 313 CB MET A 796 -6.662 9.145 -1.225 1.00 0.38 C ATOM 314 CG MET A 796 -5.481 9.688 -2.012 1.00 0.93 C ATOM 315 SD MET A 796 -5.718 9.596 -3.800 1.00 2.03 S ATOM 316 CE MET A 796 -4.075 10.030 -4.362 1.00 2.69 C ATOM 0 H MET A 796 -4.935 7.915 0.127 1.00 0.22 H new ATOM 0 HA MET A 796 -7.620 7.368 -0.551 1.00 0.26 H new ATOM 0 HB2 MET A 796 -7.581 9.434 -1.735 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.676 9.624 -0.246 1.00 0.38 H new ATOM 0 HG2 MET A 796 -5.309 10.726 -1.727 1.00 0.93 H new ATOM 0 HG3 MET A 796 -4.584 9.130 -1.741 1.00 0.93 H new ATOM 0 HE1 MET A 796 -4.094 10.211 -5.437 1.00 2.69 H new ATOM 0 HE2 MET A 796 -3.741 10.931 -3.848 1.00 2.69 H new ATOM 0 HE3 MET A 796 -3.388 9.212 -4.144 1.00 2.69 H new ATOM 326 N ALA A 797 -5.369 6.622 -2.822 1.00 0.21 N ATOM 327 CA ALA A 797 -5.151 5.863 -4.045 1.00 0.22 C ATOM 328 C ALA A 797 -5.689 4.443 -3.891 1.00 0.21 C ATOM 329 O ALA A 797 -6.447 3.960 -4.736 1.00 0.26 O ATOM 330 CB ALA A 797 -3.669 5.846 -4.400 1.00 0.27 C ATOM 0 H ALA A 797 -4.513 6.933 -2.363 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.692 6.346 -4.859 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.521 5.275 -5.317 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.319 6.867 -4.548 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.106 5.383 -3.589 1.00 0.27 H new ATOM 336 N ILE A 798 -5.371 3.823 -2.757 1.00 0.20 N ATOM 337 CA ILE A 798 -5.876 2.496 -2.429 1.00 0.26 C ATOM 338 C ILE A 798 -7.402 2.500 -2.354 1.00 0.27 C ATOM 339 O ILE A 798 -8.067 1.668 -2.970 1.00 0.33 O ATOM 340 CB ILE A 798 -5.307 1.999 -1.076 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.803 1.751 -1.177 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.007 0.728 -0.631 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.169 1.299 0.122 1.00 0.67 C ATOM 0 H ILE A 798 -4.760 4.224 -2.045 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.552 1.822 -3.222 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.486 2.778 -0.335 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.619 0.996 -1.942 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.315 2.667 -1.509 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.591 0.398 0.321 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.073 0.922 -0.513 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.860 -0.050 -1.380 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.101 1.143 -0.029 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.320 2.062 0.885 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.629 0.366 0.446 1.00 0.67 H new ATOM 355 N ASN A 799 -7.935 3.438 -1.582 1.00 0.27 N ATOM 356 CA ASN A 799 -9.374 3.546 -1.359 1.00 0.33 C ATOM 357 C ASN A 799 -10.140 3.669 -2.668 1.00 0.31 C ATOM 358 O ASN A 799 -11.110 2.948 -2.901 1.00 0.40 O ATOM 359 CB ASN A 799 -9.673 4.757 -0.473 1.00 0.40 C ATOM 360 CG ASN A 799 -9.282 4.540 0.976 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.214 3.286 1.393 1.00 1.21 O flip ATOM 362 ND2 ASN A 799 -9.088 5.493 1.730 1.00 0.70 N flip ATOM 0 H ASN A 799 -7.385 4.144 -1.093 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.702 2.633 -0.863 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.141 5.625 -0.861 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.737 4.986 -0.526 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.149 6.446 1.373 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.866 5.329 2.712 1.00 0.70 H new ATOM 369 N SER A 800 -9.708 4.598 -3.507 1.00 0.30 N ATOM 370 CA SER A 800 -10.375 4.861 -4.771 1.00 0.35 C ATOM 371 C SER A 800 -10.276 3.664 -5.713 1.00 0.33 C ATOM 372 O SER A 800 -11.258 3.285 -6.355 1.00 0.41 O ATOM 373 CB SER A 800 -9.766 6.102 -5.425 1.00 0.44 C ATOM 374 OG SER A 800 -9.785 7.208 -4.530 1.00 1.29 O ATOM 0 H SER A 800 -8.893 5.186 -3.333 1.00 0.30 H new ATOM 0 HA SER A 800 -11.432 5.037 -4.570 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.740 5.892 -5.728 1.00 0.44 H new ATOM 0 HB3 SER A 800 -10.321 6.351 -6.329 1.00 0.44 H new ATOM 0 HG SER A 800 -9.072 7.104 -3.866 1.00 1.29 H new ATOM 380 N LYS A 801 -9.085 3.092 -5.820 1.00 0.29 N ATOM 381 CA LYS A 801 -8.854 1.981 -6.730 1.00 0.36 C ATOM 382 C LYS A 801 -9.584 0.712 -6.298 1.00 0.43 C ATOM 383 O LYS A 801 -10.147 0.009 -7.139 1.00 0.58 O ATOM 384 CB LYS A 801 -7.366 1.705 -6.865 1.00 0.43 C ATOM 385 CG LYS A 801 -6.670 2.593 -7.881 1.00 0.86 C ATOM 386 CD LYS A 801 -5.176 2.337 -7.885 1.00 1.06 C ATOM 387 CE LYS A 801 -4.496 2.917 -9.115 1.00 1.13 C ATOM 388 NZ LYS A 801 -4.614 4.398 -9.191 1.00 1.95 N ATOM 0 H LYS A 801 -8.264 3.380 -5.287 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.258 2.275 -7.698 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.891 1.839 -5.893 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.223 0.662 -7.149 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.078 2.406 -8.874 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.864 3.640 -7.649 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.733 2.771 -6.989 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -4.993 1.263 -7.844 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -3.442 2.641 -9.107 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -4.934 2.475 -10.010 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.105 4.744 -10.029 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.617 4.663 -9.261 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -4.202 4.823 -8.336 1.00 1.95 H new ATOM 402 N ILE A 802 -9.546 0.392 -5.005 1.00 0.39 N ATOM 403 CA ILE A 802 -10.198 -0.819 -4.513 1.00 0.52 C ATOM 404 C ILE A 802 -11.700 -0.762 -4.769 1.00 0.70 C ATOM 405 O ILE A 802 -12.239 -1.600 -5.487 1.00 1.56 O ATOM 406 CB ILE A 802 -9.931 -1.062 -3.007 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.461 -1.423 -2.785 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.834 -2.165 -2.467 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.135 -1.830 -1.363 1.00 0.71 C ATOM 0 H ILE A 802 -9.077 0.946 -4.288 1.00 0.39 H new ATOM 0 HA ILE A 802 -9.767 -1.655 -5.064 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.155 -0.143 -2.465 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.192 -2.239 -3.456 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.842 -0.568 -3.058 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.628 -2.318 -1.408 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.877 -1.877 -2.596 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.643 -3.090 -3.011 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.075 -2.070 -1.287 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.370 -1.008 -0.686 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.726 -2.705 -1.090 1.00 0.71 H new ATOM 550 N PRO A 812 -8.962 1.328 4.599 1.00 0.88 N ATOM 551 CA PRO A 812 -8.788 -0.064 4.189 1.00 0.80 C ATOM 552 C PRO A 812 -8.599 -0.991 5.390 1.00 0.77 C ATOM 553 O PRO A 812 -7.555 -1.630 5.543 1.00 0.82 O ATOM 554 CB PRO A 812 -7.540 -0.036 3.286 1.00 0.77 C ATOM 555 CG PRO A 812 -7.158 1.406 3.151 1.00 0.75 C ATOM 556 CD PRO A 812 -7.765 2.122 4.321 1.00 0.82 C ATOM 0 HA PRO A 812 -9.664 -0.456 3.673 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.728 -0.615 3.726 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.754 -0.476 2.312 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.074 1.521 3.147 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.526 1.818 2.211 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.089 2.147 5.175 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.012 3.156 4.079 1.00 0.82 H new ATOM 564 N ILE A 813 -9.598 -0.984 6.280 1.00 0.87 N ATOM 565 CA ILE A 813 -9.600 -1.787 7.511 1.00 0.96 C ATOM 566 C ILE A 813 -8.511 -1.315 8.484 1.00 0.96 C ATOM 567 O ILE A 813 -8.302 -1.915 9.537 1.00 1.64 O ATOM 568 CB ILE A 813 -9.402 -3.300 7.215 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.222 -3.733 5.990 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.792 -4.145 8.422 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.714 -3.516 6.136 1.00 1.67 C ATOM 0 H ILE A 813 -10.437 -0.415 6.166 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.578 -1.648 7.971 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.345 -3.458 7.002 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -9.869 -3.183 5.117 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -10.037 -4.790 5.797 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.645 -5.200 8.190 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -9.171 -3.870 9.274 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.840 -3.970 8.666 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.220 -3.847 5.229 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -12.083 -4.088 6.987 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.914 -2.457 6.297 1.00 1.67 H new ATOM 583 N THR A 814 -7.765 -0.288 8.072 1.00 0.83 N ATOM 584 CA THR A 814 -6.604 0.216 8.817 1.00 0.84 C ATOM 585 C THR A 814 -5.621 -0.915 9.103 1.00 0.71 C ATOM 586 O THR A 814 -4.914 -0.905 10.108 1.00 1.08 O ATOM 587 CB THR A 814 -7.003 0.906 10.150 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.489 -0.052 11.104 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.075 1.953 9.913 1.00 1.90 C ATOM 0 H THR A 814 -7.948 0.222 7.208 1.00 0.83 H new ATOM 0 HA THR A 814 -6.131 0.968 8.185 1.00 0.84 H new ATOM 0 HB THR A 814 -6.108 1.384 10.548 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.570 -0.929 10.675 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.339 2.424 10.860 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.699 2.709 9.224 1.00 1.90 H new ATOM 0 HG23 THR A 814 -8.958 1.479 9.484 1.00 1.90 H new ATOM 597 N LYS A 815 -5.650 -1.938 8.260 1.00 0.61 N ATOM 598 CA LYS A 815 -4.879 -3.139 8.509 1.00 0.82 C ATOM 599 C LYS A 815 -4.356 -3.714 7.203 1.00 0.88 C ATOM 600 O LYS A 815 -4.389 -4.925 6.982 1.00 1.68 O ATOM 601 CB LYS A 815 -5.753 -4.172 9.220 1.00 1.16 C ATOM 602 CG LYS A 815 -4.993 -5.011 10.230 1.00 1.29 C ATOM 603 CD LYS A 815 -4.334 -4.137 11.285 1.00 1.45 C ATOM 604 CE LYS A 815 -5.340 -3.220 11.955 1.00 1.74 C ATOM 605 NZ LYS A 815 -4.752 -2.470 13.096 1.00 2.52 N ATOM 0 H LYS A 815 -6.199 -1.956 7.401 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.029 -2.887 9.143 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.570 -3.659 9.727 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -6.202 -4.830 8.477 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -5.675 -5.713 10.710 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -4.234 -5.602 9.718 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -3.858 -4.768 12.036 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -3.546 -3.540 10.825 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -5.729 -2.514 11.221 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -6.186 -3.810 12.309 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -5.478 -1.858 13.520 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -4.404 -3.141 13.810 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -3.962 -1.885 12.757 1.00 2.52 H new ATOM 619 N ILE A 816 -3.908 -2.834 6.330 1.00 0.43 N ATOM 620 CA ILE A 816 -3.377 -3.249 5.044 1.00 0.34 C ATOM 621 C ILE A 816 -2.008 -3.885 5.201 1.00 0.30 C ATOM 622 O ILE A 816 -1.229 -3.523 6.088 1.00 0.33 O ATOM 623 CB ILE A 816 -3.274 -2.085 4.039 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.448 -0.928 4.613 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.659 -1.617 3.636 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.209 0.196 3.623 1.00 1.06 C ATOM 0 H ILE A 816 -3.900 -1.826 6.486 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.084 -3.978 4.649 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.758 -2.445 3.149 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.959 -0.527 5.489 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.486 -1.312 4.953 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.573 -0.795 2.926 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.201 -2.441 3.173 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.200 -1.278 4.520 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.618 0.980 4.098 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.671 -0.190 2.757 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.166 0.607 3.302 1.00 1.06 H new ATOM 638 N LYS A 817 -1.685 -4.739 4.259 1.00 0.26 N ATOM 639 CA LYS A 817 -0.406 -5.405 4.220 1.00 0.24 C ATOM 640 C LYS A 817 0.181 -5.131 2.859 1.00 0.23 C ATOM 641 O LYS A 817 -0.564 -4.917 1.912 1.00 0.24 O ATOM 642 CB LYS A 817 -0.607 -6.909 4.419 1.00 0.33 C ATOM 643 CG LYS A 817 0.647 -7.680 4.793 1.00 0.74 C ATOM 644 CD LYS A 817 0.350 -9.163 4.893 1.00 0.68 C ATOM 645 CE LYS A 817 1.588 -9.968 5.234 1.00 1.18 C ATOM 646 NZ LYS A 817 1.860 -10.001 6.697 1.00 1.35 N ATOM 0 H LYS A 817 -2.308 -4.993 3.492 1.00 0.26 H new ATOM 0 HA LYS A 817 0.257 -5.047 5.007 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.354 -7.061 5.198 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -1.014 -7.331 3.500 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.422 -7.508 4.047 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.034 -7.316 5.745 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.412 -9.330 5.654 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.062 -9.515 3.947 1.00 0.68 H new ATOM 0 HE2 LYS A 817 1.468 -10.987 4.867 1.00 1.18 H new ATOM 0 HE3 LYS A 817 2.448 -9.543 4.717 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.716 -10.563 6.878 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 2.002 -9.032 7.046 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 1.052 -10.431 7.191 1.00 1.35 H new ATOM 660 N TYR A 818 1.475 -4.954 2.784 1.00 0.20 N ATOM 661 CA TYR A 818 2.066 -4.459 1.565 1.00 0.19 C ATOM 662 C TYR A 818 3.172 -5.387 1.103 1.00 0.18 C ATOM 663 O TYR A 818 3.798 -6.096 1.897 1.00 0.19 O ATOM 664 CB TYR A 818 2.591 -3.021 1.753 1.00 0.20 C ATOM 665 CG TYR A 818 3.966 -2.933 2.380 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.114 -3.007 1.604 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.112 -2.766 3.751 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.368 -2.913 2.174 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.360 -2.673 4.327 1.00 0.27 C ATOM 670 CZ TYR A 818 6.494 -2.805 3.525 1.00 0.26 C ATOM 671 OH TYR A 818 7.729 -2.631 4.115 1.00 0.30 O ATOM 0 H TYR A 818 2.133 -5.142 3.540 1.00 0.20 H new ATOM 0 HA TYR A 818 1.297 -4.432 0.793 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.616 -2.527 0.782 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.886 -2.468 2.374 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.025 -3.140 0.536 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.233 -2.708 4.376 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.248 -2.925 1.548 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.460 -2.500 5.388 1.00 0.27 H new ATOM 0 HH TYR A 818 7.622 -2.573 5.087 1.00 0.30 H new ATOM 681 N GLN A 819 3.271 -5.486 -0.198 1.00 0.17 N ATOM 682 CA GLN A 819 4.157 -6.421 -0.844 1.00 0.19 C ATOM 683 C GLN A 819 5.007 -5.696 -1.865 1.00 0.19 C ATOM 684 O GLN A 819 4.579 -4.693 -2.435 1.00 0.18 O ATOM 685 CB GLN A 819 3.363 -7.550 -1.514 1.00 0.22 C ATOM 686 CG GLN A 819 4.240 -8.644 -2.110 1.00 0.35 C ATOM 687 CD GLN A 819 3.957 -8.893 -3.575 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.870 -9.334 -3.945 1.00 1.08 O ATOM 689 NE2 GLN A 819 4.933 -8.601 -4.422 1.00 0.90 N ATOM 0 H GLN A 819 2.732 -4.912 -0.847 1.00 0.17 H new ATOM 0 HA GLN A 819 4.806 -6.867 -0.090 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.691 -7.995 -0.780 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.740 -7.126 -2.302 1.00 0.22 H new ATOM 0 HG2 GLN A 819 5.288 -8.369 -1.989 1.00 0.35 H new ATOM 0 HG3 GLN A 819 4.087 -9.569 -1.553 1.00 0.35 H new ATOM 0 HE21 GLN A 819 5.820 -8.237 -4.073 1.00 0.90 H new ATOM 0 HE22 GLN A 819 4.798 -8.740 -5.423 1.00 0.90 H new ATOM 698 N ASP A 820 6.220 -6.172 -2.045 1.00 0.22 N ATOM 699 CA ASP A 820 7.182 -5.521 -2.909 1.00 0.24 C ATOM 700 C ASP A 820 7.654 -6.513 -3.955 1.00 0.28 C ATOM 701 O ASP A 820 7.621 -7.726 -3.710 1.00 0.38 O ATOM 702 CB ASP A 820 8.380 -5.050 -2.085 1.00 0.31 C ATOM 703 CG ASP A 820 9.588 -4.730 -2.942 1.00 0.96 C ATOM 704 OD1 ASP A 820 9.532 -3.744 -3.706 1.00 1.73 O ATOM 705 OD2 ASP A 820 10.603 -5.442 -2.836 1.00 1.38 O ATOM 0 H ASP A 820 6.567 -7.020 -1.597 1.00 0.22 H new ATOM 0 HA ASP A 820 6.717 -4.661 -3.391 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.099 -4.164 -1.515 1.00 0.31 H new ATOM 0 HB3 ASP A 820 8.646 -5.822 -1.363 1.00 0.31 H new ATOM 710 N GLU A 821 7.882 -6.004 -5.171 1.00 0.28 N ATOM 711 CA GLU A 821 8.173 -6.823 -6.348 1.00 0.38 C ATOM 712 C GLU A 821 9.206 -7.910 -6.062 1.00 0.85 C ATOM 713 O GLU A 821 9.113 -9.012 -6.610 1.00 0.63 O ATOM 714 CB GLU A 821 8.660 -5.933 -7.496 1.00 1.20 C ATOM 715 CG GLU A 821 8.929 -6.683 -8.795 1.00 1.63 C ATOM 716 CD GLU A 821 7.678 -7.287 -9.408 1.00 2.62 C ATOM 717 OE1 GLU A 821 7.046 -8.141 -8.753 1.00 3.38 O ATOM 718 OE2 GLU A 821 7.310 -6.902 -10.539 1.00 3.04 O ATOM 0 H GLU A 821 7.869 -5.003 -5.365 1.00 0.28 H new ATOM 0 HA GLU A 821 7.246 -7.322 -6.630 1.00 0.38 H new ATOM 0 HB2 GLU A 821 7.915 -5.160 -7.683 1.00 1.20 H new ATOM 0 HB3 GLU A 821 9.574 -5.426 -7.186 1.00 1.20 H new ATOM 0 HG2 GLU A 821 9.384 -6.001 -9.513 1.00 1.63 H new ATOM 0 HG3 GLU A 821 9.652 -7.476 -8.606 1.00 1.63 H new ATOM 725 N ASP A 822 10.184 -7.604 -5.215 1.00 1.90 N ATOM 726 CA ASP A 822 11.220 -8.583 -4.862 1.00 2.86 C ATOM 727 C ASP A 822 10.596 -9.869 -4.338 1.00 2.24 C ATOM 728 O ASP A 822 11.051 -10.969 -4.648 1.00 2.49 O ATOM 729 CB ASP A 822 12.176 -8.034 -3.804 1.00 3.96 C ATOM 730 CG ASP A 822 13.228 -9.055 -3.404 1.00 5.04 C ATOM 731 OD1 ASP A 822 14.062 -9.423 -4.260 1.00 5.45 O ATOM 732 OD2 ASP A 822 13.212 -9.521 -2.244 1.00 5.63 O ATOM 0 H ASP A 822 10.285 -6.696 -4.761 1.00 1.90 H new ATOM 0 HA ASP A 822 11.781 -8.791 -5.773 1.00 2.86 H new ATOM 0 HB2 ASP A 822 12.666 -7.139 -4.188 1.00 3.96 H new ATOM 0 HB3 ASP A 822 11.608 -7.734 -2.923 1.00 3.96 H new ATOM 737 N GLY A 823 9.550 -9.716 -3.546 1.00 1.39 N ATOM 738 CA GLY A 823 8.881 -10.856 -2.969 1.00 0.79 C ATOM 739 C GLY A 823 8.827 -10.759 -1.463 1.00 0.74 C ATOM 740 O GLY A 823 9.326 -11.636 -0.760 1.00 0.91 O ATOM 0 H GLY A 823 9.150 -8.813 -3.291 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.869 -10.926 -3.367 1.00 0.79 H new ATOM 0 HA3 GLY A 823 9.401 -11.770 -3.258 1.00 0.79 H new ATOM 744 N ASP A 824 8.308 -9.646 -0.967 1.00 0.55 N ATOM 745 CA ASP A 824 8.279 -9.399 0.472 1.00 0.53 C ATOM 746 C ASP A 824 6.878 -9.016 0.924 1.00 0.40 C ATOM 747 O ASP A 824 6.179 -8.288 0.225 1.00 0.32 O ATOM 748 CB ASP A 824 9.258 -8.282 0.843 1.00 0.61 C ATOM 749 CG ASP A 824 9.548 -8.218 2.332 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.197 -9.176 3.058 1.00 1.42 O ATOM 751 OD2 ASP A 824 10.163 -7.227 2.782 1.00 1.47 O ATOM 0 H ASP A 824 7.902 -8.901 -1.534 1.00 0.55 H new ATOM 0 HA ASP A 824 8.575 -10.319 0.977 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.193 -8.431 0.302 1.00 0.61 H new ATOM 0 HB3 ASP A 824 8.850 -7.325 0.516 1.00 0.61 H new ATOM 756 N PHE A 825 6.512 -9.444 2.124 1.00 0.43 N ATOM 757 CA PHE A 825 5.228 -9.092 2.714 1.00 0.38 C ATOM 758 C PHE A 825 5.427 -8.524 4.111 1.00 0.40 C ATOM 759 O PHE A 825 6.118 -9.112 4.945 1.00 0.47 O ATOM 760 CB PHE A 825 4.296 -10.304 2.790 1.00 0.47 C ATOM 761 CG PHE A 825 3.348 -10.426 1.633 1.00 0.49 C ATOM 762 CD1 PHE A 825 3.701 -11.137 0.500 1.00 0.91 C ATOM 763 CD2 PHE A 825 2.096 -9.834 1.686 1.00 0.55 C ATOM 764 CE1 PHE A 825 2.823 -11.256 -0.559 1.00 1.16 C ATOM 765 CE2 PHE A 825 1.215 -9.948 0.631 1.00 0.80 C ATOM 766 CZ PHE A 825 1.577 -10.662 -0.493 1.00 1.04 C ATOM 0 H PHE A 825 7.092 -10.041 2.713 1.00 0.43 H new ATOM 0 HA PHE A 825 4.768 -8.340 2.073 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.900 -11.209 2.847 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.719 -10.247 3.713 1.00 0.47 H new ATOM 0 HD1 PHE A 825 4.673 -11.604 0.443 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.807 -9.276 2.564 1.00 0.55 H new ATOM 0 HE1 PHE A 825 3.110 -11.813 -1.439 1.00 1.16 H new ATOM 0 HE2 PHE A 825 0.243 -9.479 0.684 1.00 0.80 H new ATOM 0 HZ PHE A 825 0.888 -10.756 -1.319 1.00 1.04 H new ATOM 776 N VAL A 826 4.864 -7.349 4.321 1.00 0.35 N ATOM 777 CA VAL A 826 5.001 -6.595 5.561 1.00 0.39 C ATOM 778 C VAL A 826 3.704 -5.827 5.791 1.00 0.31 C ATOM 779 O VAL A 826 2.999 -5.530 4.834 1.00 0.29 O ATOM 780 CB VAL A 826 6.200 -5.608 5.526 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.329 -4.851 6.839 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.502 -6.329 5.215 1.00 0.95 C ATOM 0 H VAL A 826 4.287 -6.880 3.623 1.00 0.35 H new ATOM 0 HA VAL A 826 5.195 -7.295 6.374 1.00 0.39 H new ATOM 0 HB VAL A 826 6.002 -4.892 4.729 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.177 -4.168 6.784 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.417 -4.283 7.023 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.486 -5.559 7.653 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.321 -5.610 5.198 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.694 -7.080 5.981 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.425 -6.815 4.242 1.00 0.95 H new ATOM 792 N VAL A 827 3.324 -5.599 7.035 1.00 0.33 N ATOM 793 CA VAL A 827 2.042 -4.971 7.327 1.00 0.32 C ATOM 794 C VAL A 827 2.288 -3.725 8.160 1.00 0.35 C ATOM 795 O VAL A 827 3.293 -3.646 8.870 1.00 0.40 O ATOM 796 CB VAL A 827 1.095 -5.941 8.085 1.00 0.37 C ATOM 797 CG1 VAL A 827 1.624 -6.277 9.473 1.00 0.98 C ATOM 798 CG2 VAL A 827 -0.312 -5.374 8.183 1.00 1.22 C ATOM 0 H VAL A 827 3.879 -5.837 7.857 1.00 0.33 H new ATOM 0 HA VAL A 827 1.557 -4.707 6.388 1.00 0.32 H new ATOM 0 HB VAL A 827 1.058 -6.864 7.506 1.00 0.37 H new ATOM 0 HG11 VAL A 827 0.933 -6.958 9.971 1.00 0.98 H new ATOM 0 HG12 VAL A 827 2.601 -6.752 9.385 1.00 0.98 H new ATOM 0 HG13 VAL A 827 1.717 -5.362 10.058 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.951 -6.076 8.719 1.00 1.22 H new ATOM 0 HG22 VAL A 827 -0.286 -4.426 8.719 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.710 -5.213 7.181 1.00 1.22 H new ATOM 808 N LEU A 828 1.574 -2.659 7.817 1.00 0.34 N ATOM 809 CA LEU A 828 1.952 -1.339 8.293 1.00 0.38 C ATOM 810 C LEU A 828 0.803 -0.586 8.950 1.00 0.44 C ATOM 811 O LEU A 828 -0.373 -0.821 8.663 1.00 0.48 O ATOM 812 CB LEU A 828 2.563 -0.512 7.139 1.00 0.38 C ATOM 813 CG LEU A 828 1.729 -0.382 5.852 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.564 0.577 6.035 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.609 0.090 4.706 1.00 0.96 C ATOM 0 H LEU A 828 0.746 -2.683 7.222 1.00 0.34 H new ATOM 0 HA LEU A 828 2.701 -1.486 9.071 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.767 0.491 7.513 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.523 -0.956 6.876 1.00 0.38 H new ATOM 0 HG LEU A 828 1.322 -1.366 5.619 1.00 0.39 H new ATOM 0 HD11 LEU A 828 -0.002 0.643 5.106 1.00 1.03 H new ATOM 0 HD12 LEU A 828 -0.086 0.212 6.831 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.943 1.564 6.300 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.010 0.179 3.800 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.039 1.061 4.953 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.410 -0.631 4.542 1.00 0.96 H new ATOM 827 N GLY A 829 1.175 0.313 9.845 1.00 0.53 N ATOM 828 CA GLY A 829 0.214 1.135 10.539 1.00 0.63 C ATOM 829 C GLY A 829 0.870 1.994 11.597 1.00 0.73 C ATOM 830 O GLY A 829 0.333 2.150 12.696 1.00 1.20 O ATOM 0 H GLY A 829 2.145 0.489 10.106 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.304 1.773 9.822 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.540 0.499 11.003 1.00 0.63 H new ATOM 834 N SER A 830 2.058 2.510 11.284 1.00 0.74 N ATOM 835 CA SER A 830 2.821 3.313 12.231 1.00 0.85 C ATOM 836 C SER A 830 3.801 4.246 11.518 1.00 0.98 C ATOM 837 O SER A 830 4.797 4.667 12.107 1.00 1.93 O ATOM 838 CB SER A 830 3.576 2.403 13.204 1.00 0.89 C ATOM 839 OG SER A 830 2.715 1.900 14.214 1.00 1.58 O ATOM 0 H SER A 830 2.511 2.384 10.379 1.00 0.74 H new ATOM 0 HA SER A 830 2.116 3.931 12.786 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.022 1.573 12.657 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.394 2.958 13.664 1.00 0.89 H new ATOM 0 HG SER A 830 1.782 2.032 13.944 1.00 1.58 H new ATOM 845 N ASP A 831 3.440 4.651 10.297 1.00 0.62 N ATOM 846 CA ASP A 831 4.200 5.632 9.505 1.00 0.62 C ATOM 847 C ASP A 831 5.589 5.140 9.091 1.00 0.58 C ATOM 848 O ASP A 831 5.898 5.100 7.903 1.00 0.97 O ATOM 849 CB ASP A 831 4.320 6.969 10.250 1.00 0.86 C ATOM 850 CG ASP A 831 3.097 7.846 10.070 1.00 1.20 C ATOM 851 OD1 ASP A 831 2.219 7.497 9.252 1.00 1.79 O ATOM 852 OD2 ASP A 831 3.010 8.900 10.733 1.00 1.74 O ATOM 0 H ASP A 831 2.605 4.306 9.823 1.00 0.62 H new ATOM 0 HA ASP A 831 3.628 5.774 8.588 1.00 0.62 H new ATOM 0 HB2 ASP A 831 4.472 6.777 11.312 1.00 0.86 H new ATOM 0 HB3 ASP A 831 5.201 7.502 9.893 1.00 0.86 H new ATOM 857 N GLU A 832 6.435 4.820 10.062 1.00 0.50 N ATOM 858 CA GLU A 832 7.815 4.420 9.787 1.00 0.44 C ATOM 859 C GLU A 832 7.865 3.150 8.941 1.00 0.34 C ATOM 860 O GLU A 832 8.747 2.985 8.102 1.00 0.34 O ATOM 861 CB GLU A 832 8.584 4.206 11.089 1.00 0.56 C ATOM 862 CG GLU A 832 10.087 4.093 10.889 1.00 1.41 C ATOM 863 CD GLU A 832 10.713 5.402 10.449 1.00 2.19 C ATOM 864 OE1 GLU A 832 10.650 6.389 11.209 1.00 2.93 O ATOM 865 OE2 GLU A 832 11.266 5.450 9.331 1.00 2.62 O ATOM 0 H GLU A 832 6.191 4.829 11.052 1.00 0.50 H new ATOM 0 HA GLU A 832 8.285 5.227 9.225 1.00 0.44 H new ATOM 0 HB2 GLU A 832 8.376 5.035 11.766 1.00 0.56 H new ATOM 0 HB3 GLU A 832 8.220 3.300 11.573 1.00 0.56 H new ATOM 0 HG2 GLU A 832 10.551 3.767 11.820 1.00 1.41 H new ATOM 0 HG3 GLU A 832 10.295 3.326 10.143 1.00 1.41 H new ATOM 872 N ASP A 833 6.888 2.280 9.136 1.00 0.32 N ATOM 873 CA ASP A 833 6.778 1.054 8.353 1.00 0.29 C ATOM 874 C ASP A 833 6.517 1.366 6.878 1.00 0.24 C ATOM 875 O ASP A 833 7.211 0.857 5.996 1.00 0.23 O ATOM 876 CB ASP A 833 5.691 0.139 8.933 1.00 0.38 C ATOM 877 CG ASP A 833 4.470 0.888 9.436 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.255 2.028 8.985 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.729 0.357 10.286 1.00 1.50 O ATOM 0 H ASP A 833 6.154 2.399 9.834 1.00 0.32 H new ATOM 0 HA ASP A 833 7.729 0.524 8.411 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.381 -0.572 8.168 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.115 -0.440 9.753 1.00 0.38 H new ATOM 884 N TRP A 834 5.642 2.324 6.616 1.00 0.22 N ATOM 885 CA TRP A 834 5.460 2.806 5.254 1.00 0.20 C ATOM 886 C TRP A 834 6.718 3.535 4.790 1.00 0.19 C ATOM 887 O TRP A 834 7.141 3.391 3.648 1.00 0.18 O ATOM 888 CB TRP A 834 4.240 3.723 5.147 1.00 0.23 C ATOM 889 CG TRP A 834 4.109 4.389 3.807 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.943 5.723 3.574 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.138 3.759 2.515 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.866 5.961 2.225 1.00 0.26 N ATOM 893 CE2 TRP A 834 3.983 4.776 1.555 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.281 2.440 2.073 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.969 4.519 0.190 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.266 2.191 0.713 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.112 3.223 -0.208 1.00 0.19 C ATOM 0 H TRP A 834 5.055 2.778 7.315 1.00 0.22 H new ATOM 0 HA TRP A 834 5.285 1.946 4.607 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.339 3.142 5.345 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.301 4.489 5.920 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.881 6.482 4.340 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.741 6.876 1.792 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.401 1.632 2.780 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.849 5.316 -0.529 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.376 1.177 0.359 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.106 2.992 -1.263 1.00 0.19 H new ATOM 908 N ASN A 835 7.333 4.282 5.699 1.00 0.22 N ATOM 909 CA ASN A 835 8.560 5.012 5.394 1.00 0.25 C ATOM 910 C ASN A 835 9.653 4.072 4.901 1.00 0.21 C ATOM 911 O ASN A 835 10.248 4.313 3.855 1.00 0.21 O ATOM 912 CB ASN A 835 9.057 5.795 6.612 1.00 0.34 C ATOM 913 CG ASN A 835 8.199 7.008 6.941 1.00 1.15 C ATOM 914 OD1 ASN A 835 7.137 7.223 6.176 1.00 1.66 O flip ATOM 915 ND2 ASN A 835 8.486 7.743 7.884 1.00 2.00 N flip ATOM 0 H ASN A 835 7.002 4.399 6.657 1.00 0.22 H new ATOM 0 HA ASN A 835 8.325 5.719 4.599 1.00 0.25 H new ATOM 0 HB2 ASN A 835 9.082 5.131 7.476 1.00 0.34 H new ATOM 0 HB3 ASN A 835 10.081 6.122 6.432 1.00 0.34 H new ATOM 0 HD21 ASN A 835 9.311 7.547 8.451 1.00 2.00 H new ATOM 0 HD22 ASN A 835 7.899 8.549 8.099 1.00 2.00 H new ATOM 922 N VAL A 836 9.873 2.974 5.620 1.00 0.22 N ATOM 923 CA VAL A 836 10.868 1.992 5.205 1.00 0.25 C ATOM 924 C VAL A 836 10.458 1.324 3.894 1.00 0.19 C ATOM 925 O VAL A 836 11.304 1.084 3.039 1.00 0.19 O ATOM 926 CB VAL A 836 11.183 0.926 6.287 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.711 1.591 7.550 1.00 1.36 C ATOM 928 CG2 VAL A 836 9.979 0.054 6.604 1.00 1.22 C ATOM 0 H VAL A 836 9.381 2.744 6.483 1.00 0.22 H new ATOM 0 HA VAL A 836 11.792 2.550 5.052 1.00 0.25 H new ATOM 0 HB VAL A 836 11.954 0.271 5.881 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.927 0.829 8.299 1.00 1.36 H new ATOM 0 HG12 VAL A 836 12.623 2.141 7.318 1.00 1.36 H new ATOM 0 HG13 VAL A 836 10.961 2.280 7.939 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.249 -0.676 7.367 1.00 1.22 H new ATOM 0 HG22 VAL A 836 9.165 0.678 6.972 1.00 1.22 H new ATOM 0 HG23 VAL A 836 9.658 -0.466 5.701 1.00 1.22 H new ATOM 938 N ALA A 837 9.157 1.090 3.703 1.00 0.16 N ATOM 939 CA ALA A 837 8.673 0.554 2.428 1.00 0.15 C ATOM 940 C ALA A 837 9.011 1.508 1.286 1.00 0.15 C ATOM 941 O ALA A 837 9.531 1.087 0.253 1.00 0.19 O ATOM 942 CB ALA A 837 7.174 0.284 2.464 1.00 0.17 C ATOM 0 H ALA A 837 8.432 1.259 4.400 1.00 0.16 H new ATOM 0 HA ALA A 837 9.178 -0.397 2.258 1.00 0.15 H new ATOM 0 HB1 ALA A 837 6.852 -0.113 1.501 1.00 0.17 H new ATOM 0 HB2 ALA A 837 6.954 -0.442 3.247 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.642 1.213 2.670 1.00 0.17 H new ATOM 948 N LYS A 838 8.765 2.800 1.497 1.00 0.14 N ATOM 949 CA LYS A 838 9.111 3.813 0.504 1.00 0.19 C ATOM 950 C LYS A 838 10.608 3.790 0.224 1.00 0.20 C ATOM 951 O LYS A 838 11.028 3.779 -0.932 1.00 0.24 O ATOM 952 CB LYS A 838 8.714 5.212 0.974 1.00 0.23 C ATOM 953 CG LYS A 838 7.241 5.370 1.306 1.00 0.23 C ATOM 954 CD LYS A 838 6.864 6.839 1.449 1.00 0.40 C ATOM 955 CE LYS A 838 7.630 7.505 2.577 1.00 0.49 C ATOM 956 NZ LYS A 838 7.330 8.957 2.682 1.00 1.22 N ATOM 0 H LYS A 838 8.329 3.168 2.343 1.00 0.14 H new ATOM 0 HA LYS A 838 8.560 3.579 -0.407 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.302 5.465 1.856 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.978 5.931 0.198 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.638 4.911 0.523 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.015 4.842 2.232 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.067 7.360 0.513 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.793 6.924 1.636 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.383 7.016 3.519 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.700 7.368 2.418 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 7.876 9.368 3.466 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.590 9.430 1.793 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 6.314 9.090 2.861 1.00 1.22 H new ATOM 970 N GLU A 839 11.402 3.718 1.295 1.00 0.21 N ATOM 971 CA GLU A 839 12.852 3.617 1.168 1.00 0.26 C ATOM 972 C GLU A 839 13.218 2.386 0.362 1.00 0.27 C ATOM 973 O GLU A 839 14.006 2.455 -0.565 1.00 0.31 O ATOM 974 CB GLU A 839 13.520 3.521 2.535 1.00 0.32 C ATOM 975 CG GLU A 839 13.340 4.747 3.414 1.00 0.47 C ATOM 976 CD GLU A 839 14.036 4.600 4.751 1.00 1.34 C ATOM 977 OE1 GLU A 839 14.637 3.533 5.005 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.001 5.552 5.557 1.00 1.85 O ATOM 0 H GLU A 839 11.063 3.728 2.257 1.00 0.21 H new ATOM 0 HA GLU A 839 13.203 4.517 0.663 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.122 2.652 3.059 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.586 3.346 2.392 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.731 5.623 2.897 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.277 4.922 3.577 1.00 0.47 H new ATOM 985 N MET A 840 12.596 1.271 0.709 1.00 0.27 N ATOM 986 CA MET A 840 12.798 0.008 0.013 1.00 0.31 C ATOM 987 C MET A 840 12.582 0.181 -1.486 1.00 0.34 C ATOM 988 O MET A 840 13.447 -0.150 -2.293 1.00 0.40 O ATOM 989 CB MET A 840 11.819 -1.025 0.575 1.00 0.32 C ATOM 990 CG MET A 840 11.770 -2.339 -0.181 1.00 0.36 C ATOM 991 SD MET A 840 10.390 -3.369 0.352 1.00 0.76 S ATOM 992 CE MET A 840 9.010 -2.292 -0.037 1.00 0.35 C ATOM 0 H MET A 840 11.935 1.215 1.483 1.00 0.27 H new ATOM 0 HA MET A 840 13.822 -0.332 0.167 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.085 -1.229 1.612 1.00 0.32 H new ATOM 0 HB3 MET A 840 10.820 -0.590 0.583 1.00 0.32 H new ATOM 0 HG2 MET A 840 11.684 -2.140 -1.249 1.00 0.36 H new ATOM 0 HG3 MET A 840 12.705 -2.879 -0.032 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.106 -2.889 -0.161 1.00 0.35 H new ATOM 0 HE2 MET A 840 8.865 -1.579 0.774 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.218 -1.753 -0.961 1.00 0.35 H new ATOM 1002 N LEU A 841 11.451 0.765 -1.842 1.00 0.30 N ATOM 1003 CA LEU A 841 11.111 1.020 -3.231 1.00 0.35 C ATOM 1004 C LEU A 841 12.141 1.930 -3.899 1.00 0.39 C ATOM 1005 O LEU A 841 12.665 1.613 -4.964 1.00 0.50 O ATOM 1006 CB LEU A 841 9.721 1.658 -3.309 1.00 0.33 C ATOM 1007 CG LEU A 841 8.588 0.841 -2.677 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.325 1.678 -2.572 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.318 -0.420 -3.484 1.00 0.62 C ATOM 0 H LEU A 841 10.743 1.076 -1.177 1.00 0.30 H new ATOM 0 HA LEU A 841 11.111 0.069 -3.763 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.759 2.633 -2.822 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.479 1.834 -4.357 1.00 0.33 H new ATOM 0 HG LEU A 841 8.898 0.548 -1.674 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.531 1.083 -2.121 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.519 2.553 -1.952 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.018 1.999 -3.567 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.511 -0.985 -3.018 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.031 -0.148 -4.500 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.219 -1.033 -3.514 1.00 0.62 H new ATOM 1021 N ALA A 842 12.406 3.069 -3.282 1.00 0.36 N ATOM 1022 CA ALA A 842 13.317 4.058 -3.846 1.00 0.44 C ATOM 1023 C ALA A 842 14.767 3.552 -3.894 1.00 0.52 C ATOM 1024 O ALA A 842 15.479 3.776 -4.874 1.00 0.61 O ATOM 1025 CB ALA A 842 13.213 5.358 -3.057 1.00 0.47 C ATOM 0 H ALA A 842 12.002 3.335 -2.384 1.00 0.36 H new ATOM 0 HA ALA A 842 13.020 4.241 -4.879 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.895 6.096 -3.480 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.192 5.735 -3.110 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.478 5.174 -2.016 1.00 0.47 H new ATOM 1031 N GLU A 843 15.204 2.900 -2.821 1.00 0.53 N ATOM 1032 CA GLU A 843 16.570 2.385 -2.710 1.00 0.66 C ATOM 1033 C GLU A 843 16.807 1.236 -3.687 1.00 0.71 C ATOM 1034 O GLU A 843 17.757 1.254 -4.469 1.00 0.81 O ATOM 1035 CB GLU A 843 16.831 1.915 -1.275 1.00 0.71 C ATOM 1036 CG GLU A 843 18.210 1.316 -1.053 1.00 1.45 C ATOM 1037 CD GLU A 843 18.467 0.970 0.401 1.00 2.11 C ATOM 1038 OE1 GLU A 843 17.801 0.053 0.921 1.00 2.92 O ATOM 1039 OE2 GLU A 843 19.340 1.605 1.030 1.00 2.43 O ATOM 0 H GLU A 843 14.624 2.712 -2.003 1.00 0.53 H new ATOM 0 HA GLU A 843 17.261 3.190 -2.961 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.702 2.761 -0.599 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.078 1.174 -1.005 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.314 0.417 -1.661 1.00 1.45 H new ATOM 0 HG3 GLU A 843 18.968 2.021 -1.395 1.00 1.45 H new ATOM 1046 N ASN A 844 15.933 0.241 -3.634 1.00 0.67 N ATOM 1047 CA ASN A 844 16.026 -0.921 -4.512 1.00 0.80 C ATOM 1048 C ASN A 844 15.793 -0.525 -5.957 1.00 0.79 C ATOM 1049 O ASN A 844 16.316 -1.180 -6.859 1.00 1.11 O ATOM 1050 CB ASN A 844 15.038 -2.010 -4.094 1.00 0.85 C ATOM 1051 CG ASN A 844 15.461 -2.712 -2.818 1.00 0.97 C ATOM 1052 OD1 ASN A 844 16.485 -3.390 -2.779 1.00 1.53 O ATOM 1053 ND2 ASN A 844 14.692 -2.530 -1.758 1.00 1.15 N ATOM 0 H ASN A 844 15.145 0.214 -2.987 1.00 0.67 H new ATOM 0 HA ASN A 844 17.035 -1.324 -4.421 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.052 -1.568 -3.953 1.00 0.85 H new ATOM 0 HB3 ASN A 844 14.947 -2.742 -4.896 1.00 0.85 H new ATOM 0 HD21 ASN A 844 14.941 -2.960 -0.867 1.00 1.15 H new ATOM 0 HD22 ASN A 844 13.849 -1.960 -1.831 1.00 1.15 H new ATOM 1060 N ASN A 845 14.898 0.461 -6.145 1.00 0.62 N ATOM 1061 CA ASN A 845 14.458 0.964 -7.464 1.00 0.71 C ATOM 1062 C ASN A 845 13.136 0.317 -7.850 1.00 0.61 C ATOM 1063 O ASN A 845 12.433 0.792 -8.743 1.00 0.71 O ATOM 1064 CB ASN A 845 15.506 0.745 -8.577 1.00 0.92 C ATOM 1065 CG ASN A 845 15.055 -0.250 -9.641 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.608 0.138 -10.722 1.00 1.90 O ATOM 1067 ND2 ASN A 845 15.129 -1.534 -9.326 1.00 1.48 N ATOM 0 H ASN A 845 14.448 0.944 -5.367 1.00 0.62 H new ATOM 0 HA ASN A 845 14.330 2.042 -7.366 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.726 1.701 -9.053 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.434 0.391 -8.128 1.00 0.92 H new ATOM 0 HD21 ASN A 845 14.810 -2.241 -9.988 1.00 1.48 H new ATOM 0 HD22 ASN A 845 15.505 -1.816 -8.421 1.00 1.48 H new ATOM 1074 N GLU A 846 12.771 -0.731 -7.128 1.00 0.55 N ATOM 1075 CA GLU A 846 11.518 -1.417 -7.376 1.00 0.63 C ATOM 1076 C GLU A 846 10.361 -0.551 -6.904 1.00 0.73 C ATOM 1077 O GLU A 846 10.510 0.234 -5.979 1.00 1.49 O ATOM 1078 CB GLU A 846 11.512 -2.779 -6.691 1.00 0.77 C ATOM 1079 CG GLU A 846 12.641 -3.689 -7.148 1.00 1.40 C ATOM 1080 CD GLU A 846 12.505 -4.116 -8.597 1.00 2.19 C ATOM 1081 OE1 GLU A 846 12.479 -3.238 -9.480 1.00 2.97 O ATOM 1082 OE2 GLU A 846 12.409 -5.332 -8.867 1.00 2.54 O ATOM 0 H GLU A 846 13.326 -1.123 -6.367 1.00 0.55 H new ATOM 0 HA GLU A 846 11.404 -1.589 -8.446 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.584 -2.636 -5.613 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.558 -3.270 -6.884 1.00 0.77 H new ATOM 0 HG2 GLU A 846 13.593 -3.174 -7.014 1.00 1.40 H new ATOM 0 HG3 GLU A 846 12.666 -4.575 -6.514 1.00 1.40 H new ATOM 1089 N LYS A 847 9.289 -0.553 -7.660 1.00 0.42 N ATOM 1090 CA LYS A 847 8.198 0.377 -7.427 1.00 0.37 C ATOM 1091 C LYS A 847 6.883 -0.367 -7.276 1.00 0.35 C ATOM 1092 O LYS A 847 5.871 0.207 -6.865 1.00 0.44 O ATOM 1093 CB LYS A 847 8.126 1.369 -8.587 1.00 0.44 C ATOM 1094 CG LYS A 847 7.263 2.588 -8.317 1.00 0.63 C ATOM 1095 CD LYS A 847 7.422 3.629 -9.415 1.00 1.29 C ATOM 1096 CE LYS A 847 8.881 3.951 -9.690 1.00 1.80 C ATOM 1097 NZ LYS A 847 9.537 4.633 -8.546 1.00 2.40 N ATOM 0 H LYS A 847 9.144 -1.188 -8.445 1.00 0.42 H new ATOM 0 HA LYS A 847 8.381 0.921 -6.500 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.136 1.700 -8.829 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.740 0.853 -9.467 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.218 2.288 -8.245 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.536 3.024 -7.356 1.00 0.63 H new ATOM 0 HD2 LYS A 847 6.953 3.266 -10.329 1.00 1.29 H new ATOM 0 HD3 LYS A 847 6.898 4.541 -9.128 1.00 1.29 H new ATOM 0 HE2 LYS A 847 9.417 3.029 -9.915 1.00 1.80 H new ATOM 0 HE3 LYS A 847 8.950 4.584 -10.575 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 10.530 4.831 -8.783 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 9.044 5.527 -8.345 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 9.497 4.020 -7.707 1.00 2.40 H new ATOM 1111 N PHE A 848 6.903 -1.640 -7.641 1.00 0.32 N ATOM 1112 CA PHE A 848 5.718 -2.475 -7.566 1.00 0.30 C ATOM 1113 C PHE A 848 5.307 -2.677 -6.118 1.00 0.24 C ATOM 1114 O PHE A 848 6.084 -3.192 -5.308 1.00 0.21 O ATOM 1115 CB PHE A 848 5.988 -3.827 -8.206 1.00 0.31 C ATOM 1116 CG PHE A 848 4.786 -4.422 -8.890 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.375 -3.998 -10.153 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.059 -5.417 -8.256 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.262 -4.558 -10.752 1.00 0.54 C ATOM 1120 CE2 PHE A 848 2.948 -5.974 -8.852 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.584 -5.498 -10.205 1.00 0.52 C ATOM 0 H PHE A 848 7.732 -2.118 -7.994 1.00 0.32 H new ATOM 0 HA PHE A 848 4.911 -1.976 -8.102 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.793 -3.721 -8.933 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.339 -4.518 -7.440 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.930 -3.227 -10.667 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.368 -5.761 -7.280 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.952 -4.189 -11.718 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.364 -6.731 -8.349 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.750 -5.941 -10.729 1.00 0.52 H new ATOM 1131 N LEU A 849 4.068 -2.342 -5.822 1.00 0.22 N ATOM 1132 CA LEU A 849 3.532 -2.504 -4.492 1.00 0.18 C ATOM 1133 C LEU A 849 2.219 -3.266 -4.566 1.00 0.17 C ATOM 1134 O LEU A 849 1.434 -3.101 -5.498 1.00 0.19 O ATOM 1135 CB LEU A 849 3.313 -1.136 -3.833 1.00 0.20 C ATOM 1136 CG LEU A 849 2.939 -1.170 -2.356 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.085 -1.713 -1.522 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.555 0.218 -1.890 1.00 0.55 C ATOM 0 H LEU A 849 3.409 -1.952 -6.496 1.00 0.22 H new ATOM 0 HA LEU A 849 4.243 -3.067 -3.887 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.224 -0.548 -3.945 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.527 -0.612 -4.377 1.00 0.20 H new ATOM 0 HG LEU A 849 2.085 -1.835 -2.228 1.00 0.24 H new ATOM 0 HD11 LEU A 849 3.795 -1.728 -0.471 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.324 -2.726 -1.847 1.00 0.56 H new ATOM 0 HD13 LEU A 849 4.960 -1.076 -1.648 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.289 0.186 -0.833 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.397 0.895 -2.032 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.702 0.573 -2.469 1.00 0.55 H new ATOM 1150 N ASN A 850 2.016 -4.139 -3.616 1.00 0.16 N ATOM 1151 CA ASN A 850 0.817 -4.948 -3.558 1.00 0.17 C ATOM 1152 C ASN A 850 0.240 -4.855 -2.165 1.00 0.17 C ATOM 1153 O ASN A 850 0.979 -4.629 -1.213 1.00 0.16 O ATOM 1154 CB ASN A 850 1.112 -6.405 -3.925 1.00 0.19 C ATOM 1155 CG ASN A 850 1.385 -6.595 -5.405 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.509 -6.384 -6.241 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.602 -6.991 -5.737 1.00 0.45 N ATOM 0 H ASN A 850 2.675 -4.313 -2.857 1.00 0.16 H new ATOM 0 HA ASN A 850 0.095 -4.574 -4.284 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.973 -6.751 -3.354 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.265 -7.027 -3.634 1.00 0.19 H new ATOM 0 HD21 ASN A 850 2.842 -7.132 -6.718 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.300 -7.155 -5.012 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.072 -4.904 -2.045 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.709 -4.717 -0.752 1.00 0.21 C ATOM 1166 C ILE A 851 -2.611 -5.893 -0.469 1.00 0.24 C ATOM 1167 O ILE A 851 -3.487 -6.224 -1.265 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.595 -3.445 -0.673 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.223 -2.401 -1.724 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.520 -2.828 0.715 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.841 -1.800 -1.559 1.00 0.28 C ATOM 0 H ILE A 851 -1.715 -5.070 -2.819 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.899 -4.619 -0.030 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.617 -3.764 -0.878 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.290 -2.859 -2.711 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.959 -1.598 -1.695 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.147 -1.937 0.752 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.870 -3.549 1.453 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.488 -2.554 0.936 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.665 -1.070 -2.349 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.772 -1.308 -0.589 1.00 0.28 H new ATOM 0 HD13 ILE A 851 -0.091 -2.589 -1.620 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.383 -6.530 0.658 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.185 -7.650 1.052 1.00 0.37 C ATOM 1185 C ARG A 852 -4.221 -7.213 2.065 1.00 0.39 C ATOM 1186 O ARG A 852 -3.882 -6.779 3.167 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.325 -8.753 1.640 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.104 -10.026 1.914 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.273 -11.016 2.702 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.039 -12.207 3.080 1.00 1.27 N ATOM 1191 CZ ARG A 852 -2.565 -13.194 3.843 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.286 -13.216 4.192 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -3.362 -14.182 4.224 1.00 2.38 N ATOM 0 H ARG A 852 -1.643 -6.284 1.316 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.686 -8.039 0.166 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.507 -8.974 0.954 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.876 -8.401 2.569 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.012 -9.788 2.467 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.414 -10.476 0.971 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.409 -11.315 2.109 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.890 -10.532 3.601 1.00 0.70 H new ATOM 0 HE ARG A 852 -3.997 -12.287 2.738 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.659 -12.476 3.877 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.929 -13.973 4.775 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -4.340 -14.189 3.934 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -2.997 -14.935 4.807 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.474 -7.331 1.685 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.576 -6.966 2.555 1.00 0.54 C ATOM 1209 C LEU A 853 -7.061 -8.189 3.316 1.00 0.63 C ATOM 1210 O LEU A 853 -8.193 -8.635 3.140 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.706 -6.361 1.739 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.529 -4.904 1.287 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -7.338 -3.986 2.484 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.366 -4.769 0.312 1.00 1.56 C ATOM 0 H LEU A 853 -5.759 -7.680 0.770 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.233 -6.222 3.274 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -7.852 -6.977 0.852 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.622 -6.426 2.326 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.439 -4.603 0.768 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -7.215 -2.959 2.139 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -8.211 -4.048 3.133 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -6.451 -4.291 3.039 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.264 -3.727 0.009 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -5.446 -5.098 0.795 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -6.555 -5.386 -0.567 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.146 -8.808 4.046 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.430 -10.056 4.740 1.00 1.08 C ATOM 1228 C TYR A 854 -7.477 -9.852 5.832 1.00 1.25 C ATOM 1229 O TYR A 854 -8.302 -10.766 6.042 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.137 -10.649 5.320 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.482 -9.810 6.397 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.802 -9.992 7.737 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -3.526 -8.857 6.076 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -4.194 -9.243 8.725 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -2.911 -8.106 7.059 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.249 -8.302 8.381 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.630 -7.561 9.363 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.482 -8.773 6.461 1.00 1.77 O ATOM 0 H TYR A 854 -5.194 -8.464 4.174 1.00 0.99 H new ATOM 0 HA TYR A 854 -6.840 -10.763 4.019 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.358 -11.634 5.730 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.424 -10.794 4.508 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -5.539 -10.732 8.011 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -3.258 -8.700 5.042 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -4.458 -9.394 9.761 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -2.168 -7.368 6.793 1.00 0.86 H new ATOM 0 HH TYR A 854 -1.746 -7.940 9.550 1.00 0.92 H new