USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 782 THR OG1 : rot -67:sc= 1.03 USER MOD Set 1.2: A 819 GLN :FLIP amide:sc= -0.452 F(o=-2!,f=0.08) USER MOD Set 1.3: A 850 ASN : amide:sc= -0.502! K(o=0.08!,f=-1) USER MOD Single : A 778 SER OG : rot -31:sc= 0.302 USER MOD Single : A 787 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.07) USER MOD Single : A 790 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.6) USER MOD Single : A 796 MET CE :methyl 137:sc= -0.114 (180deg=-0.673) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.843 F(o=-2.3!,f=-0.84) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 173:sc=-0.00738 (180deg=-0.139) USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 804 ASN :FLIP amide:sc= -0.0413 F(o=-2.1!,f=-0.041) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-3.4!) USER MOD Single : A 807 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 808 ASN :FLIP amide:sc= -0.229 F(o=-2.3!,f=-0.23) USER MOD Single : A 809 ASN :FLIP amide:sc= -4.3! C(o=-6.3!,f=-4.3!) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 58:sc= -0.0696 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= -0.0385 USER MOD Single : A 830 SER OG : rot 168:sc= 1.45 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 838 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 840 MET CE :methyl -122:sc= -4.78! (180deg=-4.92!) USER MOD Single : A 844 ASN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 845 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.7) USER MOD Single : A 847 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0663) USER MOD Single : A 854 TYR OH : rot -65:sc= 0.497 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -8.970 -11.476 1.836 1.00 2.40 N ATOM 2 CA SER A 778 -7.603 -11.504 1.275 1.00 2.10 C ATOM 3 C SER A 778 -7.570 -10.939 -0.139 1.00 1.16 C ATOM 4 O SER A 778 -6.828 -11.427 -0.993 1.00 1.09 O ATOM 5 CB SER A 778 -7.128 -12.954 1.291 1.00 2.58 C ATOM 6 OG SER A 778 -8.110 -13.818 0.742 1.00 3.17 O ATOM 0 HA SER A 778 -6.942 -10.879 1.876 1.00 2.10 H new ATOM 0 HB2 SER A 778 -6.202 -13.043 0.723 1.00 2.58 H new ATOM 0 HB3 SER A 778 -6.905 -13.256 2.314 1.00 2.58 H new ATOM 0 HG SER A 778 -9.002 -13.454 0.919 1.00 3.17 H new ATOM 14 N GLU A 779 -8.299 -9.852 -0.358 1.00 0.78 N ATOM 15 CA GLU A 779 -8.272 -9.184 -1.644 1.00 0.85 C ATOM 16 C GLU A 779 -6.918 -8.527 -1.856 1.00 0.75 C ATOM 17 O GLU A 779 -6.441 -7.760 -1.016 1.00 1.17 O ATOM 18 CB GLU A 779 -9.413 -8.162 -1.749 1.00 1.60 C ATOM 19 CG GLU A 779 -9.350 -7.046 -0.716 1.00 1.95 C ATOM 20 CD GLU A 779 -10.708 -6.457 -0.406 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.563 -7.191 0.132 1.00 2.92 O ATOM 22 OE2 GLU A 779 -10.924 -5.259 -0.680 1.00 3.25 O ATOM 0 H GLU A 779 -8.910 -9.420 0.335 1.00 0.78 H new ATOM 0 HA GLU A 779 -8.422 -9.922 -2.432 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -9.399 -7.720 -2.745 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -10.364 -8.684 -1.645 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.908 -7.432 0.203 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -8.691 -6.257 -1.080 1.00 1.95 H new ATOM 29 N ILE A 780 -6.271 -8.892 -2.947 1.00 0.62 N ATOM 30 CA ILE A 780 -4.965 -8.353 -3.267 1.00 0.43 C ATOM 31 C ILE A 780 -5.124 -7.108 -4.125 1.00 0.37 C ATOM 32 O ILE A 780 -5.996 -7.041 -4.992 1.00 0.49 O ATOM 33 CB ILE A 780 -4.066 -9.394 -3.989 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.698 -8.797 -4.353 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.754 -9.932 -5.235 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.849 -8.415 -3.157 1.00 0.51 C ATOM 0 H ILE A 780 -6.631 -9.561 -3.627 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.470 -8.094 -2.331 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.902 -10.220 -3.297 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.149 -9.518 -4.959 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.853 -7.913 -4.972 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -4.105 -10.659 -5.724 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.691 -10.413 -4.954 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.959 -9.110 -5.921 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.901 -8.002 -3.501 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.375 -7.669 -2.561 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.660 -9.299 -2.548 1.00 0.51 H new ATOM 48 N PHE A 781 -4.308 -6.117 -3.852 1.00 0.28 N ATOM 49 CA PHE A 781 -4.354 -4.859 -4.573 1.00 0.26 C ATOM 50 C PHE A 781 -2.962 -4.537 -5.085 1.00 0.22 C ATOM 51 O PHE A 781 -1.972 -4.924 -4.473 1.00 0.21 O ATOM 52 CB PHE A 781 -4.868 -3.741 -3.658 1.00 0.29 C ATOM 53 CG PHE A 781 -5.006 -2.403 -4.334 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.640 -2.290 -5.560 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.502 -1.261 -3.740 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.763 -1.062 -6.180 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.621 -0.031 -4.353 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.252 0.068 -5.574 1.00 0.52 C ATOM 0 H PHE A 781 -3.593 -6.156 -3.125 1.00 0.28 H new ATOM 0 HA PHE A 781 -5.039 -4.942 -5.417 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.838 -4.034 -3.256 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.189 -3.639 -2.811 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -6.043 -3.172 -6.036 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.008 -1.333 -2.782 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.258 -0.986 -7.137 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.221 0.852 -3.877 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.347 1.029 -6.057 1.00 0.52 H new ATOM 68 N THR A 782 -2.888 -3.926 -6.250 1.00 0.23 N ATOM 69 CA THR A 782 -1.612 -3.643 -6.870 1.00 0.23 C ATOM 70 C THR A 782 -1.530 -2.169 -7.232 1.00 0.23 C ATOM 71 O THR A 782 -2.506 -1.573 -7.692 1.00 0.25 O ATOM 72 CB THR A 782 -1.398 -4.510 -8.123 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.427 -5.897 -7.757 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.075 -4.190 -8.802 1.00 1.34 C ATOM 0 H THR A 782 -3.698 -3.616 -6.786 1.00 0.23 H new ATOM 0 HA THR A 782 -0.824 -3.884 -6.156 1.00 0.23 H new ATOM 0 HB THR A 782 -2.201 -4.292 -8.827 1.00 0.29 H new ATOM 0 HG1 THR A 782 -0.648 -6.105 -7.199 1.00 1.39 H new ATOM 0 HG21 THR A 782 0.044 -4.821 -9.683 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.064 -3.142 -9.102 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.745 -4.378 -8.108 1.00 1.34 H new ATOM 82 N LEU A 783 -0.447 -1.559 -6.804 1.00 0.22 N ATOM 83 CA LEU A 783 -0.298 -0.122 -6.848 1.00 0.21 C ATOM 84 C LEU A 783 1.173 0.228 -7.016 1.00 0.21 C ATOM 85 O LEU A 783 2.038 -0.511 -6.560 1.00 0.23 O ATOM 86 CB LEU A 783 -0.854 0.486 -5.559 1.00 0.26 C ATOM 87 CG LEU A 783 -1.000 2.007 -5.550 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.945 2.463 -6.650 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.496 2.473 -4.192 1.00 0.61 C ATOM 0 H LEU A 783 0.358 -2.048 -6.414 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.853 0.285 -7.694 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.831 0.045 -5.364 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.203 0.197 -4.733 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.023 2.452 -5.739 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.035 3.549 -6.626 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.553 2.153 -7.618 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.926 2.014 -6.496 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.597 3.558 -4.194 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.464 2.019 -3.983 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.783 2.177 -3.423 1.00 0.61 H new ATOM 101 N LEU A 784 1.466 1.319 -7.700 1.00 0.20 N ATOM 102 CA LEU A 784 2.847 1.720 -7.918 1.00 0.22 C ATOM 103 C LEU A 784 3.038 3.140 -7.438 1.00 0.21 C ATOM 104 O LEU A 784 2.221 4.017 -7.712 1.00 0.23 O ATOM 105 CB LEU A 784 3.234 1.615 -9.394 1.00 0.29 C ATOM 106 CG LEU A 784 4.010 0.354 -9.777 1.00 0.91 C ATOM 107 CD1 LEU A 784 3.143 -0.883 -9.639 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.541 0.475 -11.192 1.00 1.45 C ATOM 0 H LEU A 784 0.771 1.941 -8.113 1.00 0.20 H new ATOM 0 HA LEU A 784 3.492 1.046 -7.355 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.326 1.660 -9.995 1.00 0.29 H new ATOM 0 HB3 LEU A 784 3.834 2.486 -9.658 1.00 0.29 H new ATOM 0 HG LEU A 784 4.852 0.251 -9.093 1.00 0.91 H new ATOM 0 HD11 LEU A 784 3.720 -1.765 -9.918 1.00 1.53 H new ATOM 0 HD12 LEU A 784 2.809 -0.980 -8.606 1.00 1.53 H new ATOM 0 HD13 LEU A 784 2.276 -0.795 -10.294 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.091 -0.429 -11.453 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.708 0.605 -11.883 1.00 1.45 H new ATOM 0 HD23 LEU A 784 5.206 1.336 -11.259 1.00 1.45 H new ATOM 120 N VAL A 785 3.968 3.274 -6.509 1.00 0.22 N ATOM 121 CA VAL A 785 4.120 4.495 -5.745 1.00 0.25 C ATOM 122 C VAL A 785 4.686 5.631 -6.589 1.00 0.34 C ATOM 123 O VAL A 785 5.740 5.504 -7.210 1.00 0.79 O ATOM 124 CB VAL A 785 5.004 4.260 -4.512 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.839 5.390 -3.513 1.00 0.95 C ATOM 126 CG2 VAL A 785 4.675 2.919 -3.875 1.00 1.10 C ATOM 0 H VAL A 785 4.635 2.542 -6.265 1.00 0.22 H new ATOM 0 HA VAL A 785 3.124 4.792 -5.416 1.00 0.25 H new ATOM 0 HB VAL A 785 6.047 4.242 -4.829 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.474 5.205 -2.646 1.00 0.95 H new ATOM 0 HG12 VAL A 785 5.127 6.332 -3.979 1.00 0.95 H new ATOM 0 HG13 VAL A 785 3.798 5.445 -3.195 1.00 0.95 H new ATOM 0 HG21 VAL A 785 5.309 2.766 -3.002 1.00 1.10 H new ATOM 0 HG22 VAL A 785 3.629 2.908 -3.570 1.00 1.10 H new ATOM 0 HG23 VAL A 785 4.851 2.121 -4.596 1.00 1.10 H new ATOM 136 N GLU A 786 3.944 6.728 -6.623 1.00 0.69 N ATOM 137 CA GLU A 786 4.320 7.905 -7.392 1.00 0.81 C ATOM 138 C GLU A 786 5.357 8.741 -6.647 1.00 0.87 C ATOM 139 O GLU A 786 6.493 8.311 -6.442 1.00 1.56 O ATOM 140 CB GLU A 786 3.085 8.755 -7.672 1.00 0.99 C ATOM 141 CG GLU A 786 2.026 8.062 -8.506 1.00 1.51 C ATOM 142 CD GLU A 786 0.711 8.806 -8.467 1.00 2.26 C ATOM 143 OE1 GLU A 786 0.549 9.700 -7.612 1.00 3.06 O ATOM 144 OE2 GLU A 786 -0.161 8.512 -9.311 1.00 2.59 O ATOM 0 H GLU A 786 3.064 6.827 -6.118 1.00 0.69 H new ATOM 0 HA GLU A 786 4.759 7.571 -8.332 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.643 9.056 -6.722 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.394 9.667 -8.183 1.00 0.99 H new ATOM 0 HG2 GLU A 786 2.369 7.982 -9.538 1.00 1.51 H new ATOM 0 HG3 GLU A 786 1.881 7.046 -8.139 1.00 1.51 H new ATOM 151 N LYS A 787 4.963 9.959 -6.284 1.00 0.91 N ATOM 152 CA LYS A 787 5.844 10.907 -5.609 1.00 1.01 C ATOM 153 C LYS A 787 6.028 10.559 -4.131 1.00 0.96 C ATOM 154 O LYS A 787 5.821 11.402 -3.256 1.00 1.58 O ATOM 155 CB LYS A 787 5.312 12.344 -5.760 1.00 1.17 C ATOM 156 CG LYS A 787 3.867 12.549 -5.305 1.00 1.21 C ATOM 157 CD LYS A 787 2.866 12.214 -6.400 1.00 1.35 C ATOM 158 CE LYS A 787 1.440 12.514 -5.962 1.00 1.27 C ATOM 159 NZ LYS A 787 0.453 12.243 -7.042 1.00 1.80 N ATOM 0 H LYS A 787 4.022 10.317 -6.450 1.00 0.91 H new ATOM 0 HA LYS A 787 6.821 10.841 -6.087 1.00 1.01 H new ATOM 0 HB2 LYS A 787 5.955 13.015 -5.191 1.00 1.17 H new ATOM 0 HB3 LYS A 787 5.393 12.637 -6.807 1.00 1.17 H new ATOM 0 HG2 LYS A 787 3.671 11.925 -4.433 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.729 13.585 -4.994 1.00 1.21 H new ATOM 0 HD2 LYS A 787 3.101 12.787 -7.297 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.953 11.160 -6.664 1.00 1.35 H new ATOM 0 HE2 LYS A 787 1.195 11.910 -5.088 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.367 13.558 -5.658 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -0.509 12.412 -6.684 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 0.638 12.874 -7.848 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.538 11.253 -7.350 1.00 1.80 H new ATOM 173 N VAL A 788 6.454 9.322 -3.869 1.00 0.66 N ATOM 174 CA VAL A 788 6.745 8.847 -2.511 1.00 0.61 C ATOM 175 C VAL A 788 5.466 8.655 -1.682 1.00 0.70 C ATOM 176 O VAL A 788 5.265 7.588 -1.104 1.00 1.70 O ATOM 177 CB VAL A 788 7.723 9.798 -1.776 1.00 0.70 C ATOM 178 CG1 VAL A 788 7.982 9.334 -0.351 1.00 0.87 C ATOM 179 CG2 VAL A 788 9.033 9.905 -2.541 1.00 1.21 C ATOM 0 H VAL A 788 6.608 8.619 -4.592 1.00 0.66 H new ATOM 0 HA VAL A 788 7.224 7.874 -2.617 1.00 0.61 H new ATOM 0 HB VAL A 788 7.258 10.783 -1.729 1.00 0.70 H new ATOM 0 HG11 VAL A 788 8.672 10.023 0.136 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.042 9.311 0.201 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.418 8.335 -0.367 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.709 10.576 -2.012 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.490 8.918 -2.620 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.840 10.297 -3.540 1.00 1.21 H new ATOM 189 N TRP A 789 4.608 9.679 -1.656 1.00 0.50 N ATOM 190 CA TRP A 789 3.337 9.647 -0.920 1.00 0.33 C ATOM 191 C TRP A 789 3.563 9.696 0.591 1.00 0.29 C ATOM 192 O TRP A 789 4.136 8.772 1.172 1.00 0.34 O ATOM 193 CB TRP A 789 2.532 8.385 -1.250 1.00 0.32 C ATOM 194 CG TRP A 789 2.035 8.286 -2.660 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.865 9.293 -3.570 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.644 7.082 -3.318 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.347 8.783 -4.739 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.215 7.425 -4.608 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.609 5.741 -2.932 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.755 6.475 -5.510 1.00 0.44 C ATOM 201 CZ3 TRP A 789 1.158 4.800 -3.830 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.735 5.172 -5.107 1.00 0.44 C ATOM 0 H TRP A 789 4.774 10.558 -2.146 1.00 0.50 H new ATOM 0 HA TRP A 789 2.778 10.529 -1.232 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.153 7.514 -1.040 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.676 8.335 -0.577 1.00 0.32 H new ATOM 0 HD1 TRP A 789 2.102 10.332 -3.397 1.00 0.39 H new ATOM 0 HE1 TRP A 789 1.102 9.326 -5.567 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.931 5.446 -1.944 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.424 6.758 -6.498 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 1.131 3.759 -3.542 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.385 4.412 -5.790 1.00 0.44 H new ATOM 213 N ASN A 790 2.951 10.671 1.253 1.00 0.29 N ATOM 214 CA ASN A 790 2.983 10.719 2.714 1.00 0.32 C ATOM 215 C ASN A 790 1.892 9.831 3.310 1.00 0.37 C ATOM 216 O ASN A 790 1.169 10.239 4.217 1.00 0.82 O ATOM 217 CB ASN A 790 2.867 12.157 3.250 1.00 0.39 C ATOM 218 CG ASN A 790 1.718 12.949 2.649 1.00 1.20 C ATOM 219 OD1 ASN A 790 1.816 13.450 1.531 1.00 2.06 O ATOM 220 ND2 ASN A 790 0.623 13.066 3.386 1.00 1.79 N ATOM 0 H ASN A 790 2.433 11.430 0.811 1.00 0.29 H new ATOM 0 HA ASN A 790 3.954 10.336 3.026 1.00 0.32 H new ATOM 0 HB2 ASN A 790 2.744 12.122 4.332 1.00 0.39 H new ATOM 0 HB3 ASN A 790 3.801 12.684 3.053 1.00 0.39 H new ATOM 0 HD21 ASN A 790 -0.178 13.587 3.030 1.00 1.79 H new ATOM 0 HD22 ASN A 790 0.581 12.635 4.310 1.00 1.79 H new ATOM 227 N PHE A 791 1.804 8.604 2.786 1.00 0.30 N ATOM 228 CA PHE A 791 0.853 7.577 3.244 1.00 0.25 C ATOM 229 C PHE A 791 -0.592 7.924 2.885 1.00 0.23 C ATOM 230 O PHE A 791 -1.313 7.089 2.346 1.00 0.21 O ATOM 231 CB PHE A 791 0.996 7.330 4.752 1.00 0.28 C ATOM 232 CG PHE A 791 0.072 6.279 5.301 1.00 0.30 C ATOM 233 CD1 PHE A 791 -0.025 5.036 4.694 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.690 6.529 6.431 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.864 4.066 5.203 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.531 5.561 6.946 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.618 4.327 6.330 1.00 0.42 C ATOM 0 H PHE A 791 2.399 8.288 2.020 1.00 0.30 H new ATOM 0 HA PHE A 791 1.102 6.656 2.717 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.025 7.038 4.964 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.815 8.266 5.280 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.563 4.825 3.813 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.626 7.492 6.915 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.931 3.102 4.720 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.119 5.768 7.828 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.275 3.568 6.729 1.00 0.42 H new ATOM 247 N ASP A 792 -1.002 9.152 3.155 1.00 0.26 N ATOM 248 CA ASP A 792 -2.359 9.594 2.850 1.00 0.29 C ATOM 249 C ASP A 792 -2.630 9.501 1.355 1.00 0.25 C ATOM 250 O ASP A 792 -3.677 9.017 0.938 1.00 0.26 O ATOM 251 CB ASP A 792 -2.582 11.025 3.339 1.00 0.38 C ATOM 252 CG ASP A 792 -2.513 11.128 4.848 1.00 1.13 C ATOM 253 OD1 ASP A 792 -3.343 10.491 5.532 1.00 1.74 O ATOM 254 OD2 ASP A 792 -1.637 11.857 5.362 1.00 1.86 O ATOM 0 H ASP A 792 -0.414 9.865 3.586 1.00 0.26 H new ATOM 0 HA ASP A 792 -3.055 8.937 3.371 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.831 11.680 2.897 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -3.555 11.378 2.996 1.00 0.38 H new ATOM 259 N ASP A 793 -1.634 9.868 0.558 1.00 0.24 N ATOM 260 CA ASP A 793 -1.719 9.756 -0.897 1.00 0.23 C ATOM 261 C ASP A 793 -1.892 8.302 -1.303 1.00 0.19 C ATOM 262 O ASP A 793 -2.687 7.974 -2.183 1.00 0.18 O ATOM 263 CB ASP A 793 -0.450 10.291 -1.550 1.00 0.28 C ATOM 264 CG ASP A 793 -0.120 11.708 -1.158 1.00 0.75 C ATOM 265 OD1 ASP A 793 -0.877 12.613 -1.557 1.00 1.16 O ATOM 266 OD2 ASP A 793 0.892 11.927 -0.460 1.00 1.36 O ATOM 0 H ASP A 793 -0.750 10.249 0.896 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.577 10.341 -1.228 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.386 9.645 -1.282 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.559 10.239 -2.633 1.00 0.28 H new ATOM 271 N LEU A 794 -1.149 7.440 -0.621 1.00 0.18 N ATOM 272 CA LEU A 794 -1.208 6.005 -0.836 1.00 0.17 C ATOM 273 C LEU A 794 -2.602 5.480 -0.507 1.00 0.16 C ATOM 274 O LEU A 794 -3.204 4.762 -1.303 1.00 0.16 O ATOM 275 CB LEU A 794 -0.115 5.339 0.019 1.00 0.19 C ATOM 276 CG LEU A 794 -0.332 3.874 0.408 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.349 2.980 -0.823 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.749 3.418 1.376 1.00 0.22 C ATOM 0 H LEU A 794 -0.485 7.721 0.101 1.00 0.18 H new ATOM 0 HA LEU A 794 -1.022 5.764 -1.883 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.828 5.409 -0.523 1.00 0.19 H new ATOM 0 HB3 LEU A 794 -0.001 5.919 0.935 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.301 3.794 0.900 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.505 1.945 -0.519 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.157 3.289 -1.486 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.603 3.065 -1.347 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.581 2.375 1.643 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.726 3.519 0.904 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.715 4.033 2.275 1.00 0.22 H new ATOM 290 N ILE A 795 -3.156 5.947 0.604 1.00 0.18 N ATOM 291 CA ILE A 795 -4.519 5.596 0.982 1.00 0.20 C ATOM 292 C ILE A 795 -5.520 6.115 -0.049 1.00 0.19 C ATOM 293 O ILE A 795 -6.427 5.393 -0.448 1.00 0.20 O ATOM 294 CB ILE A 795 -4.883 6.139 2.385 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.968 5.522 3.446 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.343 5.855 2.716 1.00 0.51 C ATOM 297 CD1 ILE A 795 -4.059 4.011 3.530 1.00 0.48 C ATOM 0 H ILE A 795 -2.683 6.570 1.259 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.571 4.508 1.014 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.739 7.219 2.381 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.937 5.803 3.231 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.218 5.946 4.419 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.574 6.246 3.707 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.984 6.336 1.977 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.517 4.779 2.701 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.382 3.648 4.304 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -5.080 3.721 3.776 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.780 3.576 2.570 1.00 0.48 H new ATOM 309 N MET A 796 -5.321 7.350 -0.509 1.00 0.22 N ATOM 310 CA MET A 796 -6.199 7.952 -1.517 1.00 0.26 C ATOM 311 C MET A 796 -6.210 7.127 -2.800 1.00 0.22 C ATOM 312 O MET A 796 -7.269 6.848 -3.362 1.00 0.23 O ATOM 313 CB MET A 796 -5.767 9.388 -1.832 1.00 0.38 C ATOM 314 CG MET A 796 -5.924 10.346 -0.662 1.00 0.93 C ATOM 315 SD MET A 796 -5.478 12.042 -1.078 1.00 2.03 S ATOM 316 CE MET A 796 -6.725 12.426 -2.304 1.00 2.69 C ATOM 0 H MET A 796 -4.560 7.955 -0.201 1.00 0.22 H new ATOM 0 HA MET A 796 -7.207 7.969 -1.103 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.724 9.383 -2.148 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.353 9.758 -2.673 1.00 0.38 H new ATOM 0 HG2 MET A 796 -6.957 10.322 -0.316 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.302 10.005 0.166 1.00 0.93 H new ATOM 0 HE1 MET A 796 -7.114 13.429 -2.126 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.283 12.379 -3.299 1.00 2.69 H new ATOM 0 HE3 MET A 796 -7.539 11.704 -2.234 1.00 2.69 H new ATOM 326 N ALA A 797 -5.029 6.710 -3.239 1.00 0.21 N ATOM 327 CA ALA A 797 -4.902 5.883 -4.431 1.00 0.22 C ATOM 328 C ALA A 797 -5.620 4.554 -4.233 1.00 0.21 C ATOM 329 O ALA A 797 -6.414 4.127 -5.077 1.00 0.26 O ATOM 330 CB ALA A 797 -3.436 5.653 -4.762 1.00 0.27 C ATOM 0 H ALA A 797 -4.143 6.932 -2.785 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.367 6.405 -5.268 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.358 5.033 -5.655 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -2.949 6.611 -4.941 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.949 5.149 -3.927 1.00 0.27 H new ATOM 336 N ILE A 798 -5.409 3.960 -3.062 1.00 0.20 N ATOM 337 CA ILE A 798 -6.086 2.728 -2.686 1.00 0.26 C ATOM 338 C ILE A 798 -7.599 2.928 -2.668 1.00 0.27 C ATOM 339 O ILE A 798 -8.354 2.103 -3.183 1.00 0.33 O ATOM 340 CB ILE A 798 -5.633 2.240 -1.290 1.00 0.31 C ATOM 341 CG1 ILE A 798 -4.149 1.872 -1.292 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.467 1.051 -0.852 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.623 1.450 0.065 1.00 0.67 C ATOM 0 H ILE A 798 -4.768 4.318 -2.353 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.821 1.977 -3.430 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.780 3.056 -0.582 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.986 1.062 -2.003 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.572 2.727 -1.645 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -6.137 0.718 0.132 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.517 1.341 -0.804 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.347 0.239 -1.569 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.564 1.204 -0.016 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.753 2.266 0.776 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -4.173 0.575 0.412 1.00 0.67 H new ATOM 355 N ASN A 799 -8.024 4.010 -2.033 1.00 0.27 N ATOM 356 CA ASN A 799 -9.440 4.316 -1.878 1.00 0.33 C ATOM 357 C ASN A 799 -10.119 4.488 -3.224 1.00 0.31 C ATOM 358 O ASN A 799 -11.246 4.036 -3.419 1.00 0.40 O ATOM 359 CB ASN A 799 -9.629 5.585 -1.047 1.00 0.40 C ATOM 360 CG ASN A 799 -9.391 5.378 0.436 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.356 4.128 0.875 1.00 1.21 O flip ATOM 362 ND2 ASN A 799 -9.262 6.341 1.188 1.00 0.70 N flip ATOM 0 H ASN A 799 -7.401 4.699 -1.612 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.900 3.474 -1.361 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.948 6.354 -1.412 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.642 5.960 -1.196 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.295 7.289 0.813 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.122 6.193 2.187 1.00 0.70 H new ATOM 369 N SER A 800 -9.455 5.193 -4.125 1.00 0.30 N ATOM 370 CA SER A 800 -10.014 5.478 -5.432 1.00 0.35 C ATOM 371 C SER A 800 -10.142 4.197 -6.262 1.00 0.33 C ATOM 372 O SER A 800 -11.194 3.926 -6.845 1.00 0.41 O ATOM 373 CB SER A 800 -9.134 6.506 -6.153 1.00 0.44 C ATOM 374 OG SER A 800 -9.757 6.999 -7.328 1.00 1.29 O ATOM 0 H SER A 800 -8.523 5.579 -3.972 1.00 0.30 H new ATOM 0 HA SER A 800 -11.014 5.892 -5.306 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.918 7.336 -5.480 1.00 0.44 H new ATOM 0 HB3 SER A 800 -8.179 6.049 -6.412 1.00 0.44 H new ATOM 0 HG SER A 800 -9.169 7.653 -7.760 1.00 1.29 H new ATOM 380 N LYS A 801 -9.059 3.432 -6.341 1.00 0.29 N ATOM 381 CA LYS A 801 -9.048 2.213 -7.140 1.00 0.36 C ATOM 382 C LYS A 801 -9.936 1.115 -6.552 1.00 0.43 C ATOM 383 O LYS A 801 -10.777 0.557 -7.256 1.00 0.58 O ATOM 384 CB LYS A 801 -7.623 1.717 -7.333 1.00 0.43 C ATOM 385 CG LYS A 801 -6.840 2.561 -8.322 1.00 0.86 C ATOM 386 CD LYS A 801 -5.407 2.091 -8.452 1.00 1.06 C ATOM 387 CE LYS A 801 -4.690 2.800 -9.591 1.00 1.13 C ATOM 388 NZ LYS A 801 -4.728 4.280 -9.447 1.00 1.95 N ATOM 0 H LYS A 801 -8.181 3.634 -5.863 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.469 2.464 -8.113 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.108 1.719 -6.372 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.646 0.684 -7.681 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.325 2.522 -9.297 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.853 3.603 -8.001 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.877 2.273 -7.517 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.390 1.015 -8.624 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -3.653 2.467 -9.628 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -5.149 2.517 -10.538 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.129 4.715 -10.177 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.707 4.614 -9.557 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -4.375 4.546 -8.506 1.00 1.95 H new ATOM 402 N ILE A 802 -9.765 0.814 -5.270 1.00 0.39 N ATOM 403 CA ILE A 802 -10.576 -0.214 -4.621 1.00 0.52 C ATOM 404 C ILE A 802 -12.020 0.262 -4.468 1.00 0.70 C ATOM 405 O ILE A 802 -12.268 1.373 -3.998 1.00 1.56 O ATOM 406 CB ILE A 802 -10.005 -0.624 -3.240 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.635 -1.290 -3.405 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.967 -1.558 -2.513 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.028 -1.765 -2.102 1.00 0.71 C ATOM 0 H ILE A 802 -9.079 1.262 -4.662 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.551 -1.094 -5.263 1.00 0.52 H new ATOM 0 HB ILE A 802 -9.884 0.277 -2.639 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.733 -2.140 -4.081 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.952 -0.584 -3.877 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.546 -1.833 -1.546 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.921 -1.053 -2.363 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.122 -2.457 -3.110 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.060 -2.225 -2.298 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -7.897 -0.916 -1.431 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.690 -2.496 -1.637 1.00 0.71 H new ATOM 421 N SER A 803 -12.957 -0.564 -4.915 1.00 1.05 N ATOM 422 CA SER A 803 -14.365 -0.228 -4.894 1.00 1.14 C ATOM 423 C SER A 803 -15.157 -1.469 -5.270 1.00 1.66 C ATOM 424 O SER A 803 -14.609 -2.385 -5.886 1.00 2.28 O ATOM 425 CB SER A 803 -14.662 0.916 -5.876 1.00 2.03 C ATOM 426 OG SER A 803 -16.006 1.353 -5.773 1.00 2.88 O ATOM 0 H SER A 803 -12.756 -1.486 -5.302 1.00 1.05 H new ATOM 0 HA SER A 803 -14.650 0.109 -3.897 1.00 1.14 H new ATOM 0 HB2 SER A 803 -13.990 1.751 -5.677 1.00 2.03 H new ATOM 0 HB3 SER A 803 -14.464 0.583 -6.895 1.00 2.03 H new ATOM 0 HG SER A 803 -16.163 2.082 -6.409 1.00 2.88 H new ATOM 432 N ASN A 804 -16.401 -1.539 -4.811 1.00 2.33 N ATOM 433 CA ASN A 804 -17.250 -2.708 -5.034 1.00 3.40 C ATOM 434 C ASN A 804 -16.666 -3.929 -4.356 1.00 3.88 C ATOM 435 O ASN A 804 -16.229 -4.878 -5.009 1.00 4.66 O ATOM 436 CB ASN A 804 -17.486 -2.971 -6.523 1.00 4.12 C ATOM 437 CG ASN A 804 -18.376 -1.924 -7.161 1.00 4.56 C ATOM 438 OD1 ASN A 804 -18.724 -0.905 -6.396 1.00 5.02 O flip ATOM 439 ND2 ASN A 804 -18.739 -2.025 -8.333 1.00 4.87 N flip ATOM 0 H ASN A 804 -16.849 -0.794 -4.277 1.00 2.33 H new ATOM 0 HA ASN A 804 -18.222 -2.494 -4.588 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -16.527 -2.994 -7.041 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -17.939 -3.954 -6.648 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -18.448 -2.829 -8.890 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -19.331 -1.305 -8.747 1.00 4.87 H new ATOM 446 N THR A 805 -16.607 -3.860 -3.038 1.00 3.74 N ATOM 447 CA THR A 805 -16.015 -4.912 -2.239 1.00 4.53 C ATOM 448 C THR A 805 -16.251 -4.644 -0.750 1.00 4.65 C ATOM 449 O THR A 805 -16.580 -5.553 0.013 1.00 5.32 O ATOM 450 CB THR A 805 -14.505 -5.041 -2.547 1.00 4.91 C ATOM 451 OG1 THR A 805 -13.924 -6.109 -1.786 1.00 5.49 O ATOM 452 CG2 THR A 805 -13.759 -3.745 -2.260 1.00 4.80 C ATOM 0 H THR A 805 -16.967 -3.075 -2.495 1.00 3.74 H new ATOM 0 HA THR A 805 -16.493 -5.858 -2.495 1.00 4.53 H new ATOM 0 HB THR A 805 -14.411 -5.261 -3.610 1.00 4.91 H new ATOM 0 HG1 THR A 805 -12.969 -6.177 -1.994 1.00 5.49 H new ATOM 0 HG21 THR A 805 -12.701 -3.876 -2.489 1.00 4.80 H new ATOM 0 HG22 THR A 805 -14.168 -2.945 -2.878 1.00 4.80 H new ATOM 0 HG23 THR A 805 -13.873 -3.485 -1.208 1.00 4.80 H new ATOM 460 N HIS A 806 -16.197 -3.373 -0.370 1.00 4.26 N ATOM 461 CA HIS A 806 -16.503 -2.959 0.991 1.00 4.59 C ATOM 462 C HIS A 806 -17.753 -2.093 0.978 1.00 4.36 C ATOM 463 O HIS A 806 -18.154 -1.607 -0.082 1.00 4.80 O ATOM 464 CB HIS A 806 -15.323 -2.185 1.594 1.00 5.01 C ATOM 465 CG HIS A 806 -14.047 -2.970 1.624 1.00 5.39 C ATOM 466 ND1 HIS A 806 -13.881 -4.104 2.381 1.00 5.99 N ATOM 467 CD2 HIS A 806 -12.894 -2.810 0.937 1.00 5.63 C ATOM 468 CE1 HIS A 806 -12.684 -4.608 2.156 1.00 6.49 C ATOM 469 NE2 HIS A 806 -12.059 -3.846 1.276 1.00 6.32 N ATOM 0 H HIS A 806 -15.942 -2.606 -0.993 1.00 4.26 H new ATOM 0 HA HIS A 806 -16.679 -3.841 1.607 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -15.166 -1.272 1.019 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -15.578 -1.882 2.610 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -12.670 -2.011 0.246 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -12.280 -5.498 2.616 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -11.119 -4.001 0.912 1.00 6.32 H new ATOM 478 N ASN A 807 -18.361 -1.889 2.144 1.00 4.08 N ATOM 479 CA ASN A 807 -19.551 -1.040 2.246 1.00 4.33 C ATOM 480 C ASN A 807 -19.226 0.356 1.744 1.00 3.86 C ATOM 481 O ASN A 807 -19.958 0.931 0.937 1.00 4.10 O ATOM 482 CB ASN A 807 -20.066 -0.969 3.683 1.00 4.87 C ATOM 483 CG ASN A 807 -20.500 -2.318 4.222 1.00 5.24 C ATOM 484 OD1 ASN A 807 -21.356 -2.990 3.643 1.00 5.49 O ATOM 485 ND2 ASN A 807 -19.922 -2.718 5.342 1.00 5.72 N ATOM 0 H ASN A 807 -18.054 -2.296 3.028 1.00 4.08 H new ATOM 0 HA ASN A 807 -20.336 -1.480 1.631 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -19.284 -0.562 4.324 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -20.907 -0.278 3.728 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -20.180 -3.613 5.758 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -19.218 -2.132 5.790 1.00 5.72 H new ATOM 492 N ASN A 808 -18.033 0.811 2.090 1.00 3.63 N ATOM 493 CA ASN A 808 -17.482 2.046 1.550 1.00 3.49 C ATOM 494 C ASN A 808 -15.983 2.094 1.805 1.00 2.65 C ATOM 495 O ASN A 808 -15.519 1.771 2.897 1.00 3.08 O ATOM 496 CB ASN A 808 -18.187 3.301 2.111 1.00 4.33 C ATOM 497 CG ASN A 808 -18.170 3.452 3.631 1.00 4.99 C ATOM 498 OD1 ASN A 808 -17.678 2.460 4.354 1.00 5.77 O flip ATOM 499 ND2 ASN A 808 -18.627 4.468 4.156 1.00 5.03 N flip ATOM 0 H ASN A 808 -17.419 0.337 2.752 1.00 3.63 H new ATOM 0 HA ASN A 808 -17.662 2.051 0.475 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -17.720 4.183 1.672 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -19.225 3.291 1.778 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -19.000 5.218 3.575 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -18.632 4.559 5.172 1.00 5.03 H new ATOM 506 N ASN A 809 -15.221 2.301 0.748 1.00 1.96 N ATOM 507 CA ASN A 809 -13.772 2.213 0.836 1.00 1.56 C ATOM 508 C ASN A 809 -13.169 3.536 1.300 1.00 1.72 C ATOM 509 O ASN A 809 -12.372 4.157 0.596 1.00 2.42 O ATOM 510 CB ASN A 809 -13.182 1.777 -0.508 1.00 1.91 C ATOM 511 CG ASN A 809 -11.730 1.349 -0.398 1.00 2.28 C ATOM 512 OD1 ASN A 809 -10.917 1.771 -1.349 1.00 3.06 O flip ATOM 513 ND2 ASN A 809 -11.353 0.609 0.512 1.00 2.55 N flip ATOM 0 H ASN A 809 -15.578 2.531 -0.180 1.00 1.96 H new ATOM 0 HA ASN A 809 -13.518 1.458 1.581 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -13.771 0.952 -0.908 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -13.261 2.599 -1.219 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -12.012 0.305 1.228 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -10.381 0.301 0.549 1.00 2.55 H new ATOM 520 N ILE A 810 -13.544 3.948 2.506 1.00 1.83 N ATOM 521 CA ILE A 810 -12.992 5.146 3.123 1.00 2.18 C ATOM 522 C ILE A 810 -11.598 4.839 3.649 1.00 1.94 C ATOM 523 O ILE A 810 -10.662 5.614 3.485 1.00 2.25 O ATOM 524 CB ILE A 810 -13.868 5.637 4.292 1.00 2.63 C ATOM 525 CG1 ILE A 810 -15.320 5.841 3.835 1.00 3.05 C ATOM 526 CG2 ILE A 810 -13.307 6.925 4.881 1.00 3.04 C ATOM 527 CD1 ILE A 810 -15.478 6.855 2.720 1.00 3.44 C ATOM 0 H ILE A 810 -14.235 3.464 3.079 1.00 1.83 H new ATOM 0 HA ILE A 810 -12.957 5.930 2.367 1.00 2.18 H new ATOM 0 HB ILE A 810 -13.858 4.872 5.068 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -15.723 4.885 3.502 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -15.918 6.159 4.689 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -13.940 7.254 5.705 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -12.297 6.747 5.249 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -13.282 7.696 4.111 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -16.531 6.942 2.454 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -15.107 7.824 3.054 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -14.909 6.529 1.849 1.00 3.44 H new ATOM 539 N SER A 811 -11.468 3.669 4.239 1.00 1.61 N ATOM 540 CA SER A 811 -10.198 3.183 4.731 1.00 1.34 C ATOM 541 C SER A 811 -10.128 1.679 4.522 1.00 1.12 C ATOM 542 O SER A 811 -11.109 0.970 4.740 1.00 1.24 O ATOM 543 CB SER A 811 -10.025 3.531 6.210 1.00 1.36 C ATOM 544 OG SER A 811 -10.016 4.936 6.400 1.00 1.89 O ATOM 0 H SER A 811 -12.245 3.026 4.391 1.00 1.61 H new ATOM 0 HA SER A 811 -9.389 3.662 4.180 1.00 1.34 H new ATOM 0 HB2 SER A 811 -10.834 3.087 6.790 1.00 1.36 H new ATOM 0 HB3 SER A 811 -9.094 3.103 6.582 1.00 1.36 H new ATOM 0 HG SER A 811 -9.906 5.137 7.353 1.00 1.89 H new ATOM 550 N PRO A 812 -9.001 1.189 3.995 1.00 0.88 N ATOM 551 CA PRO A 812 -8.820 -0.225 3.664 1.00 0.80 C ATOM 552 C PRO A 812 -8.583 -1.078 4.909 1.00 0.77 C ATOM 553 O PRO A 812 -7.563 -1.758 5.019 1.00 0.82 O ATOM 554 CB PRO A 812 -7.584 -0.237 2.747 1.00 0.77 C ATOM 555 CG PRO A 812 -7.261 1.197 2.473 1.00 0.75 C ATOM 556 CD PRO A 812 -7.838 1.986 3.608 1.00 0.82 C ATOM 0 HA PRO A 812 -9.706 -0.650 3.191 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.746 -0.741 3.228 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.790 -0.774 1.821 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.183 1.346 2.405 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.688 1.516 1.522 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.129 2.092 4.429 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.121 2.992 3.299 1.00 0.82 H new ATOM 564 N ILE A 813 -9.490 -0.949 5.886 1.00 0.87 N ATOM 565 CA ILE A 813 -9.396 -1.646 7.180 1.00 0.96 C ATOM 566 C ILE A 813 -8.260 -1.066 8.036 1.00 0.96 C ATOM 567 O ILE A 813 -8.150 -1.359 9.228 1.00 1.64 O ATOM 568 CB ILE A 813 -9.189 -3.179 7.016 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.127 -3.747 5.940 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.423 -3.899 8.338 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.596 -3.505 6.214 1.00 1.67 C ATOM 0 H ILE A 813 -10.315 -0.355 5.803 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.350 -1.487 7.683 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.158 -3.343 6.703 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -9.870 -3.304 4.978 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -9.956 -4.820 5.853 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.273 -4.970 8.201 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -8.721 -3.527 9.084 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.443 -3.716 8.676 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.192 -3.936 5.409 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.871 -3.972 7.160 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.784 -2.433 6.271 1.00 1.67 H new ATOM 583 N THR A 814 -7.372 -0.313 7.382 1.00 0.83 N ATOM 584 CA THR A 814 -6.155 0.240 7.985 1.00 0.84 C ATOM 585 C THR A 814 -5.256 -0.857 8.551 1.00 0.71 C ATOM 586 O THR A 814 -4.214 -0.580 9.138 1.00 1.08 O ATOM 587 CB THR A 814 -6.429 1.319 9.064 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.794 1.297 9.507 1.00 1.03 O ATOM 589 CG2 THR A 814 -6.095 2.696 8.519 1.00 1.90 C ATOM 0 H THR A 814 -7.480 -0.065 6.399 1.00 0.83 H new ATOM 0 HA THR A 814 -5.634 0.738 7.168 1.00 0.84 H new ATOM 0 HB THR A 814 -5.793 1.094 9.920 1.00 1.10 H new ATOM 0 HG1 THR A 814 -8.010 0.408 9.858 1.00 1.03 H new ATOM 0 HG21 THR A 814 -6.291 3.447 9.284 1.00 1.90 H new ATOM 0 HG22 THR A 814 -5.043 2.730 8.237 1.00 1.90 H new ATOM 0 HG23 THR A 814 -6.712 2.900 7.644 1.00 1.90 H new ATOM 597 N LYS A 815 -5.578 -2.096 8.208 1.00 0.61 N ATOM 598 CA LYS A 815 -4.747 -3.236 8.543 1.00 0.82 C ATOM 599 C LYS A 815 -4.049 -3.715 7.290 1.00 0.88 C ATOM 600 O LYS A 815 -3.977 -4.908 7.012 1.00 1.68 O ATOM 601 CB LYS A 815 -5.597 -4.363 9.136 1.00 1.16 C ATOM 602 CG LYS A 815 -6.256 -4.021 10.465 1.00 1.29 C ATOM 603 CD LYS A 815 -5.230 -3.761 11.558 1.00 1.45 C ATOM 604 CE LYS A 815 -4.774 -2.311 11.586 1.00 1.74 C ATOM 605 NZ LYS A 815 -3.703 -2.074 12.590 1.00 2.52 N ATOM 0 H LYS A 815 -6.423 -2.336 7.690 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.008 -2.941 9.288 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.372 -4.633 8.419 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -4.968 -5.243 9.272 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -6.886 -3.140 10.342 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -6.909 -4.840 10.768 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -5.658 -4.024 12.525 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -4.367 -4.408 11.405 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -4.411 -2.028 10.598 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.626 -1.669 11.809 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -3.425 -1.072 12.572 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -4.055 -2.318 13.538 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -2.878 -2.666 12.364 1.00 2.52 H new ATOM 619 N ILE A 816 -3.658 -2.761 6.476 1.00 0.43 N ATOM 620 CA ILE A 816 -3.106 -3.046 5.181 1.00 0.34 C ATOM 621 C ILE A 816 -1.713 -3.629 5.287 1.00 0.30 C ATOM 622 O ILE A 816 -0.943 -3.331 6.205 1.00 0.33 O ATOM 623 CB ILE A 816 -3.072 -1.800 4.257 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.105 -0.719 4.778 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.471 -1.229 4.089 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.604 0.058 5.982 1.00 1.06 C ATOM 0 H ILE A 816 -3.716 -1.767 6.698 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.772 -3.782 4.732 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.700 -2.124 3.285 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -1.158 -1.193 5.037 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.899 -0.017 3.970 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.432 -0.355 3.438 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.121 -1.983 3.645 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -4.865 -0.939 5.063 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.856 0.795 6.275 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -3.534 0.567 5.727 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -2.781 -0.628 6.810 1.00 1.06 H new ATOM 638 N LYS A 817 -1.394 -4.407 4.293 1.00 0.26 N ATOM 639 CA LYS A 817 -0.109 -5.037 4.174 1.00 0.24 C ATOM 640 C LYS A 817 0.440 -4.690 2.819 1.00 0.23 C ATOM 641 O LYS A 817 -0.326 -4.491 1.887 1.00 0.24 O ATOM 642 CB LYS A 817 -0.256 -6.545 4.297 1.00 0.33 C ATOM 643 CG LYS A 817 -0.095 -7.078 5.702 1.00 0.74 C ATOM 644 CD LYS A 817 0.172 -8.573 5.692 1.00 0.68 C ATOM 645 CE LYS A 817 0.183 -9.140 7.098 1.00 1.18 C ATOM 646 NZ LYS A 817 0.529 -10.585 7.113 1.00 1.35 N ATOM 0 H LYS A 817 -2.031 -4.626 3.527 1.00 0.26 H new ATOM 0 HA LYS A 817 0.560 -4.693 4.963 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.238 -6.833 3.923 1.00 0.33 H new ATOM 0 HB3 LYS A 817 0.483 -7.023 3.654 1.00 0.33 H new ATOM 0 HG2 LYS A 817 0.727 -6.562 6.198 1.00 0.74 H new ATOM 0 HG3 LYS A 817 -0.996 -6.870 6.279 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.592 -9.077 5.100 1.00 0.68 H new ATOM 0 HD3 LYS A 817 1.130 -8.770 5.210 1.00 0.68 H new ATOM 0 HE2 LYS A 817 0.901 -8.589 7.705 1.00 1.18 H new ATOM 0 HE3 LYS A 817 -0.797 -8.997 7.554 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 0.525 -10.933 8.093 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 -0.170 -11.115 6.555 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 1.475 -10.720 6.702 1.00 1.35 H new ATOM 660 N TYR A 818 1.734 -4.536 2.714 1.00 0.20 N ATOM 661 CA TYR A 818 2.309 -4.108 1.468 1.00 0.19 C ATOM 662 C TYR A 818 3.382 -5.079 1.042 1.00 0.18 C ATOM 663 O TYR A 818 4.022 -5.737 1.864 1.00 0.19 O ATOM 664 CB TYR A 818 2.859 -2.670 1.566 1.00 0.20 C ATOM 665 CG TYR A 818 4.231 -2.539 2.202 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.388 -2.756 1.460 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.368 -2.191 3.539 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.637 -2.632 2.033 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.613 -2.065 4.120 1.00 0.27 C ATOM 670 CZ TYR A 818 6.744 -2.287 3.364 1.00 0.26 C ATOM 671 OH TYR A 818 7.987 -2.164 3.938 1.00 0.30 O ATOM 0 H TYR A 818 2.402 -4.699 3.467 1.00 0.20 H new ATOM 0 HA TYR A 818 1.527 -4.097 0.709 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.900 -2.246 0.563 1.00 0.20 H new ATOM 0 HB3 TYR A 818 2.153 -2.067 2.138 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.307 -3.026 0.417 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.484 -2.016 4.135 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.525 -2.804 1.443 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.701 -1.794 5.162 1.00 0.27 H new ATOM 0 HH TYR A 818 7.889 -1.915 4.881 1.00 0.30 H new ATOM 681 N GLN A 819 3.444 -5.271 -0.249 1.00 0.17 N ATOM 682 CA GLN A 819 4.325 -6.243 -0.843 1.00 0.19 C ATOM 683 C GLN A 819 5.133 -5.577 -1.928 1.00 0.19 C ATOM 684 O GLN A 819 4.643 -4.683 -2.612 1.00 0.18 O ATOM 685 CB GLN A 819 3.518 -7.423 -1.402 1.00 0.22 C ATOM 686 CG GLN A 819 4.288 -8.283 -2.392 1.00 0.35 C ATOM 687 CD GLN A 819 3.628 -9.622 -2.641 1.00 0.45 C ATOM 688 OE1 GLN A 819 3.164 -9.844 -3.859 1.00 1.08 O flip ATOM 689 NE2 GLN A 819 3.534 -10.452 -1.743 1.00 0.90 N flip ATOM 0 H GLN A 819 2.880 -4.754 -0.924 1.00 0.17 H new ATOM 0 HA GLN A 819 5.004 -6.635 -0.086 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.187 -8.049 -0.573 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.622 -7.039 -1.890 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.381 -7.747 -3.337 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.298 -8.445 -2.017 1.00 0.35 H new ATOM 0 HE21 GLN A 819 3.904 -10.244 -0.816 1.00 0.90 H new ATOM 0 HE22 GLN A 819 3.086 -11.350 -1.924 1.00 0.90 H new ATOM 698 N ASP A 820 6.388 -5.947 -2.017 1.00 0.22 N ATOM 699 CA ASP A 820 7.312 -5.265 -2.895 1.00 0.24 C ATOM 700 C ASP A 820 7.987 -6.261 -3.810 1.00 0.28 C ATOM 701 O ASP A 820 8.179 -7.428 -3.435 1.00 0.38 O ATOM 702 CB ASP A 820 8.362 -4.525 -2.068 1.00 0.31 C ATOM 703 CG ASP A 820 9.214 -5.464 -1.235 1.00 0.96 C ATOM 704 OD1 ASP A 820 10.160 -6.070 -1.783 1.00 1.38 O ATOM 705 OD2 ASP A 820 8.924 -5.621 -0.034 1.00 1.73 O ATOM 0 H ASP A 820 6.795 -6.720 -1.490 1.00 0.22 H new ATOM 0 HA ASP A 820 6.761 -4.545 -3.500 1.00 0.24 H new ATOM 0 HB2 ASP A 820 9.006 -3.950 -2.734 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.865 -3.811 -1.411 1.00 0.31 H new ATOM 710 N GLU A 821 8.145 -5.842 -5.069 1.00 0.28 N ATOM 711 CA GLU A 821 8.683 -6.691 -6.136 1.00 0.38 C ATOM 712 C GLU A 821 7.860 -7.974 -6.274 1.00 0.85 C ATOM 713 O GLU A 821 8.308 -8.961 -6.859 1.00 0.63 O ATOM 714 CB GLU A 821 10.158 -7.013 -5.868 1.00 1.20 C ATOM 715 CG GLU A 821 10.927 -7.457 -7.105 1.00 1.63 C ATOM 716 CD GLU A 821 12.399 -7.682 -6.831 1.00 2.62 C ATOM 717 OE1 GLU A 821 12.732 -8.561 -6.006 1.00 3.38 O ATOM 718 OE2 GLU A 821 13.237 -6.981 -7.437 1.00 3.04 O ATOM 0 H GLU A 821 7.902 -4.901 -5.378 1.00 0.28 H new ATOM 0 HA GLU A 821 8.617 -6.147 -7.078 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.642 -6.131 -5.448 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.217 -7.798 -5.114 1.00 1.20 H new ATOM 0 HG2 GLU A 821 10.489 -8.378 -7.489 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.818 -6.703 -7.885 1.00 1.63 H new ATOM 725 N ASP A 822 6.633 -7.921 -5.753 1.00 1.90 N ATOM 726 CA ASP A 822 5.702 -9.045 -5.797 1.00 2.86 C ATOM 727 C ASP A 822 6.339 -10.305 -5.203 1.00 2.24 C ATOM 728 O ASP A 822 6.298 -11.379 -5.804 1.00 2.49 O ATOM 729 CB ASP A 822 5.245 -9.291 -7.239 1.00 3.96 C ATOM 730 CG ASP A 822 4.021 -10.178 -7.321 1.00 5.04 C ATOM 731 OD1 ASP A 822 2.988 -9.831 -6.711 1.00 5.63 O ATOM 732 OD2 ASP A 822 4.100 -11.239 -7.970 1.00 5.45 O ATOM 0 H ASP A 822 6.258 -7.094 -5.288 1.00 1.90 H new ATOM 0 HA ASP A 822 4.829 -8.798 -5.193 1.00 2.86 H new ATOM 0 HB2 ASP A 822 5.028 -8.335 -7.715 1.00 3.96 H new ATOM 0 HB3 ASP A 822 6.059 -9.749 -7.801 1.00 3.96 H new ATOM 737 N GLY A 823 7.016 -10.148 -4.067 1.00 1.39 N ATOM 738 CA GLY A 823 7.754 -11.264 -3.505 1.00 0.79 C ATOM 739 C GLY A 823 7.811 -11.278 -1.985 1.00 0.74 C ATOM 740 O GLY A 823 7.987 -12.338 -1.381 1.00 0.91 O ATOM 0 H GLY A 823 7.066 -9.280 -3.533 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.300 -12.194 -3.848 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.772 -11.244 -3.894 1.00 0.79 H new ATOM 744 N ASP A 824 7.717 -10.114 -1.355 1.00 0.55 N ATOM 745 CA ASP A 824 7.840 -10.036 0.103 1.00 0.53 C ATOM 746 C ASP A 824 6.655 -9.303 0.697 1.00 0.40 C ATOM 747 O ASP A 824 6.064 -8.449 0.046 1.00 0.32 O ATOM 748 CB ASP A 824 9.136 -9.330 0.528 1.00 0.61 C ATOM 749 CG ASP A 824 10.389 -10.136 0.234 1.00 0.97 C ATOM 750 OD1 ASP A 824 10.709 -10.336 -0.959 1.00 1.42 O ATOM 751 OD2 ASP A 824 11.056 -10.583 1.188 1.00 1.47 O ATOM 0 H ASP A 824 7.558 -9.220 -1.819 1.00 0.55 H new ATOM 0 HA ASP A 824 7.866 -11.059 0.478 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.202 -8.370 0.016 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.092 -9.119 1.596 1.00 0.61 H new ATOM 756 N PHE A 825 6.248 -9.724 1.889 1.00 0.43 N ATOM 757 CA PHE A 825 5.029 -9.222 2.507 1.00 0.38 C ATOM 758 C PHE A 825 5.307 -8.692 3.907 1.00 0.40 C ATOM 759 O PHE A 825 6.026 -9.304 4.697 1.00 0.47 O ATOM 760 CB PHE A 825 3.992 -10.342 2.588 1.00 0.47 C ATOM 761 CG PHE A 825 2.730 -10.073 1.822 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.125 -8.826 1.858 1.00 0.55 C ATOM 763 CD2 PHE A 825 2.140 -11.078 1.077 1.00 0.91 C ATOM 764 CE1 PHE A 825 0.959 -8.588 1.157 1.00 0.80 C ATOM 765 CE2 PHE A 825 0.972 -10.846 0.377 1.00 1.16 C ATOM 766 CZ PHE A 825 0.382 -9.599 0.416 1.00 1.04 C ATOM 0 H PHE A 825 6.748 -10.415 2.448 1.00 0.43 H new ATOM 0 HA PHE A 825 4.647 -8.406 1.894 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.440 -11.263 2.215 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.739 -10.511 3.635 1.00 0.47 H new ATOM 0 HD1 PHE A 825 2.570 -8.033 2.440 1.00 0.55 H new ATOM 0 HD2 PHE A 825 2.598 -12.056 1.042 1.00 0.91 H new ATOM 0 HE1 PHE A 825 0.499 -7.611 1.189 1.00 0.80 H new ATOM 0 HE2 PHE A 825 0.521 -11.640 -0.200 1.00 1.16 H new ATOM 0 HZ PHE A 825 -0.530 -9.415 -0.133 1.00 1.04 H new ATOM 776 N VAL A 826 4.847 -7.477 4.132 1.00 0.35 N ATOM 777 CA VAL A 826 5.130 -6.722 5.344 1.00 0.39 C ATOM 778 C VAL A 826 3.955 -5.784 5.633 1.00 0.31 C ATOM 779 O VAL A 826 3.175 -5.492 4.731 1.00 0.29 O ATOM 780 CB VAL A 826 6.478 -5.960 5.227 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.728 -5.525 3.794 1.00 1.35 C ATOM 782 CG2 VAL A 826 6.532 -4.759 6.162 1.00 0.95 C ATOM 0 H VAL A 826 4.256 -6.976 3.469 1.00 0.35 H new ATOM 0 HA VAL A 826 5.240 -7.406 6.185 1.00 0.39 H new ATOM 0 HB VAL A 826 7.267 -6.650 5.528 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.678 -4.993 3.736 1.00 1.35 H new ATOM 0 HG12 VAL A 826 6.763 -6.402 3.148 1.00 1.35 H new ATOM 0 HG13 VAL A 826 5.923 -4.867 3.468 1.00 1.35 H new ATOM 0 HG21 VAL A 826 7.491 -4.253 6.050 1.00 0.95 H new ATOM 0 HG22 VAL A 826 5.726 -4.068 5.914 1.00 0.95 H new ATOM 0 HG23 VAL A 826 6.418 -5.095 7.193 1.00 0.95 H new ATOM 792 N VAL A 827 3.687 -5.496 6.900 1.00 0.33 N ATOM 793 CA VAL A 827 2.451 -4.809 7.264 1.00 0.32 C ATOM 794 C VAL A 827 2.745 -3.526 8.029 1.00 0.35 C ATOM 795 O VAL A 827 3.720 -3.438 8.778 1.00 0.40 O ATOM 796 CB VAL A 827 1.550 -5.724 8.137 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.279 -6.180 9.389 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.246 -5.030 8.508 1.00 1.22 C ATOM 0 H VAL A 827 4.298 -5.723 7.684 1.00 0.33 H new ATOM 0 HA VAL A 827 1.930 -4.563 6.339 1.00 0.32 H new ATOM 0 HB VAL A 827 1.309 -6.603 7.540 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.623 -6.819 9.980 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.172 -6.738 9.107 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.567 -5.310 9.980 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.361 -5.698 9.119 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.464 -4.122 9.070 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.300 -4.772 7.600 1.00 1.22 H new ATOM 808 N LEU A 828 1.992 -2.485 7.696 1.00 0.34 N ATOM 809 CA LEU A 828 2.242 -1.159 8.231 1.00 0.38 C ATOM 810 C LEU A 828 0.950 -0.516 8.708 1.00 0.44 C ATOM 811 O LEU A 828 -0.142 -1.032 8.462 1.00 0.48 O ATOM 812 CB LEU A 828 2.978 -0.260 7.199 1.00 0.38 C ATOM 813 CG LEU A 828 2.226 0.209 5.924 1.00 0.39 C ATOM 814 CD1 LEU A 828 1.538 -0.934 5.196 1.00 1.03 C ATOM 815 CD2 LEU A 828 1.239 1.328 6.230 1.00 0.96 C ATOM 0 H LEU A 828 1.200 -2.538 7.055 1.00 0.34 H new ATOM 0 HA LEU A 828 2.900 -1.265 9.093 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.317 0.632 7.725 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.869 -0.797 6.874 1.00 0.38 H new ATOM 0 HG LEU A 828 2.988 0.604 5.252 1.00 0.39 H new ATOM 0 HD11 LEU A 828 1.028 -0.549 4.313 1.00 1.03 H new ATOM 0 HD12 LEU A 828 2.281 -1.672 4.893 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.811 -1.402 5.859 1.00 1.03 H new ATOM 0 HD21 LEU A 828 0.733 1.628 5.312 1.00 0.96 H new ATOM 0 HD22 LEU A 828 0.502 0.976 6.952 1.00 0.96 H new ATOM 0 HD23 LEU A 828 1.774 2.182 6.645 1.00 0.96 H new ATOM 827 N GLY A 829 1.083 0.590 9.418 1.00 0.53 N ATOM 828 CA GLY A 829 -0.076 1.283 9.932 1.00 0.63 C ATOM 829 C GLY A 829 0.288 2.613 10.543 1.00 0.73 C ATOM 830 O GLY A 829 -0.481 3.571 10.466 1.00 1.20 O ATOM 0 H GLY A 829 1.978 1.022 9.649 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.793 1.438 9.126 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.568 0.662 10.681 1.00 0.63 H new ATOM 834 N SER A 830 1.451 2.669 11.178 1.00 0.74 N ATOM 835 CA SER A 830 1.896 3.887 11.833 1.00 0.85 C ATOM 836 C SER A 830 2.464 4.883 10.823 1.00 0.98 C ATOM 837 O SER A 830 1.810 5.870 10.480 1.00 1.93 O ATOM 838 CB SER A 830 2.932 3.549 12.907 1.00 0.89 C ATOM 839 OG SER A 830 3.934 2.680 12.399 1.00 1.58 O ATOM 0 H SER A 830 2.101 1.886 11.252 1.00 0.74 H new ATOM 0 HA SER A 830 1.036 4.359 12.308 1.00 0.85 H new ATOM 0 HB2 SER A 830 3.394 4.466 13.272 1.00 0.89 H new ATOM 0 HB3 SER A 830 2.438 3.080 13.758 1.00 0.89 H new ATOM 0 HG SER A 830 4.682 2.638 13.031 1.00 1.58 H new ATOM 845 N ASP A 831 3.672 4.601 10.339 1.00 0.62 N ATOM 846 CA ASP A 831 4.357 5.469 9.379 1.00 0.62 C ATOM 847 C ASP A 831 5.720 4.894 9.016 1.00 0.58 C ATOM 848 O ASP A 831 6.124 4.909 7.856 1.00 0.97 O ATOM 849 CB ASP A 831 4.546 6.876 9.961 1.00 0.86 C ATOM 850 CG ASP A 831 5.444 7.754 9.109 1.00 1.20 C ATOM 851 OD1 ASP A 831 5.043 8.084 7.970 1.00 1.79 O ATOM 852 OD2 ASP A 831 6.547 8.116 9.568 1.00 1.74 O ATOM 0 H ASP A 831 4.203 3.769 10.598 1.00 0.62 H new ATOM 0 HA ASP A 831 3.738 5.529 8.483 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.572 7.354 10.065 1.00 0.86 H new ATOM 0 HB3 ASP A 831 4.970 6.795 10.962 1.00 0.86 H new ATOM 857 N GLU A 832 6.448 4.463 10.042 1.00 0.50 N ATOM 858 CA GLU A 832 7.827 3.990 9.891 1.00 0.44 C ATOM 859 C GLU A 832 7.946 2.913 8.816 1.00 0.34 C ATOM 860 O GLU A 832 8.863 2.938 7.998 1.00 0.34 O ATOM 861 CB GLU A 832 8.359 3.433 11.218 1.00 0.56 C ATOM 862 CG GLU A 832 8.166 4.357 12.413 1.00 1.41 C ATOM 863 CD GLU A 832 6.749 4.333 12.946 1.00 2.19 C ATOM 864 OE1 GLU A 832 6.287 3.255 13.364 1.00 2.62 O ATOM 865 OE2 GLU A 832 6.079 5.385 12.925 1.00 2.93 O ATOM 0 H GLU A 832 6.103 4.430 11.001 1.00 0.50 H new ATOM 0 HA GLU A 832 8.423 4.851 9.587 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.863 2.485 11.424 1.00 0.56 H new ATOM 0 HB3 GLU A 832 9.422 3.219 11.108 1.00 0.56 H new ATOM 0 HG2 GLU A 832 8.854 4.066 13.207 1.00 1.41 H new ATOM 0 HG3 GLU A 832 8.424 5.376 12.125 1.00 1.41 H new ATOM 872 N ASP A 833 7.036 1.951 8.848 1.00 0.32 N ATOM 873 CA ASP A 833 7.068 0.834 7.911 1.00 0.29 C ATOM 874 C ASP A 833 6.808 1.305 6.483 1.00 0.24 C ATOM 875 O ASP A 833 7.473 0.872 5.543 1.00 0.23 O ATOM 876 CB ASP A 833 6.049 -0.226 8.317 1.00 0.38 C ATOM 877 CG ASP A 833 6.400 -0.892 9.631 1.00 1.21 C ATOM 878 OD1 ASP A 833 7.489 -1.499 9.731 1.00 2.14 O ATOM 879 OD2 ASP A 833 5.598 -0.789 10.578 1.00 1.50 O ATOM 0 H ASP A 833 6.264 1.920 9.514 1.00 0.32 H new ATOM 0 HA ASP A 833 8.065 0.394 7.942 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.064 0.233 8.398 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.985 -0.983 7.535 1.00 0.38 H new ATOM 884 N TRP A 834 5.913 2.267 6.331 1.00 0.22 N ATOM 885 CA TRP A 834 5.681 2.859 5.027 1.00 0.20 C ATOM 886 C TRP A 834 6.911 3.654 4.594 1.00 0.19 C ATOM 887 O TRP A 834 7.337 3.575 3.444 1.00 0.18 O ATOM 888 CB TRP A 834 4.433 3.750 5.030 1.00 0.23 C ATOM 889 CG TRP A 834 4.182 4.420 3.716 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.901 5.737 3.509 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.194 3.802 2.422 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.752 5.980 2.166 1.00 0.26 N ATOM 893 CE2 TRP A 834 3.929 4.810 1.479 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.414 2.496 1.970 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.876 4.558 0.113 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.362 2.250 0.612 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.098 3.276 -0.298 1.00 0.19 C ATOM 0 H TRP A 834 5.342 2.650 7.085 1.00 0.22 H new ATOM 0 HA TRP A 834 5.506 2.055 4.312 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.565 3.146 5.294 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.540 4.511 5.803 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.809 6.480 4.287 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.543 6.887 1.748 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.620 1.698 2.668 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.667 5.346 -0.595 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.528 1.247 0.248 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.069 3.049 -1.353 1.00 0.19 H new ATOM 908 N ASN A 835 7.512 4.369 5.540 1.00 0.22 N ATOM 909 CA ASN A 835 8.710 5.155 5.266 1.00 0.25 C ATOM 910 C ASN A 835 9.838 4.275 4.741 1.00 0.21 C ATOM 911 O ASN A 835 10.454 4.587 3.719 1.00 0.21 O ATOM 912 CB ASN A 835 9.173 5.897 6.522 1.00 0.34 C ATOM 913 CG ASN A 835 10.312 6.857 6.230 1.00 1.15 C ATOM 914 OD1 ASN A 835 10.161 7.796 5.449 1.00 1.66 O ATOM 915 ND2 ASN A 835 11.457 6.627 6.852 1.00 2.00 N ATOM 0 H ASN A 835 7.188 4.420 6.506 1.00 0.22 H new ATOM 0 HA ASN A 835 8.454 5.885 4.498 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.334 6.449 6.947 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.492 5.174 7.273 1.00 0.34 H new ATOM 0 HD21 ASN A 835 12.257 7.240 6.692 1.00 2.00 H new ATOM 0 HD22 ASN A 835 11.540 5.837 7.492 1.00 2.00 H new ATOM 922 N VAL A 836 10.076 3.149 5.408 1.00 0.22 N ATOM 923 CA VAL A 836 11.111 2.227 4.968 1.00 0.25 C ATOM 924 C VAL A 836 10.754 1.628 3.606 1.00 0.19 C ATOM 925 O VAL A 836 11.621 1.483 2.754 1.00 0.19 O ATOM 926 CB VAL A 836 11.411 1.110 6.007 1.00 0.39 C ATOM 927 CG1 VAL A 836 10.264 0.126 6.142 1.00 1.36 C ATOM 928 CG2 VAL A 836 12.695 0.381 5.650 1.00 1.22 C ATOM 0 H VAL A 836 9.571 2.858 6.245 1.00 0.22 H new ATOM 0 HA VAL A 836 12.028 2.807 4.870 1.00 0.25 H new ATOM 0 HB VAL A 836 11.534 1.597 6.974 1.00 0.39 H new ATOM 0 HG11 VAL A 836 10.522 -0.635 6.879 1.00 1.36 H new ATOM 0 HG12 VAL A 836 9.367 0.655 6.465 1.00 1.36 H new ATOM 0 HG13 VAL A 836 10.078 -0.350 5.179 1.00 1.36 H new ATOM 0 HG21 VAL A 836 12.889 -0.397 6.388 1.00 1.22 H new ATOM 0 HG22 VAL A 836 12.594 -0.072 4.664 1.00 1.22 H new ATOM 0 HG23 VAL A 836 13.525 1.088 5.642 1.00 1.22 H new ATOM 938 N ALA A 837 9.464 1.362 3.373 1.00 0.16 N ATOM 939 CA ALA A 837 9.010 0.863 2.073 1.00 0.15 C ATOM 940 C ALA A 837 9.336 1.850 0.958 1.00 0.15 C ATOM 941 O ALA A 837 9.917 1.475 -0.059 1.00 0.19 O ATOM 942 CB ALA A 837 7.517 0.586 2.086 1.00 0.17 C ATOM 0 H ALA A 837 8.722 1.483 4.062 1.00 0.16 H new ATOM 0 HA ALA A 837 9.542 -0.069 1.882 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.207 0.217 1.108 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.293 -0.163 2.845 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.978 1.506 2.314 1.00 0.17 H new ATOM 948 N LYS A 838 8.943 3.104 1.150 1.00 0.14 N ATOM 949 CA LYS A 838 9.191 4.150 0.159 1.00 0.19 C ATOM 950 C LYS A 838 10.682 4.260 -0.148 1.00 0.20 C ATOM 951 O LYS A 838 11.093 4.229 -1.314 1.00 0.24 O ATOM 952 CB LYS A 838 8.670 5.494 0.667 1.00 0.23 C ATOM 953 CG LYS A 838 7.219 5.459 1.115 1.00 0.23 C ATOM 954 CD LYS A 838 6.730 6.837 1.529 1.00 0.40 C ATOM 955 CE LYS A 838 7.311 7.260 2.866 1.00 0.49 C ATOM 956 NZ LYS A 838 6.823 8.596 3.298 1.00 1.22 N ATOM 0 H LYS A 838 8.450 3.424 1.984 1.00 0.14 H new ATOM 0 HA LYS A 838 8.663 3.883 -0.757 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.290 5.822 1.501 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.779 6.237 -0.123 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.596 5.079 0.305 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.112 4.768 1.951 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.005 7.565 0.766 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.642 6.834 1.590 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.052 6.519 3.623 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.399 7.278 2.797 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 7.247 8.841 4.215 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.092 9.309 2.591 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 5.787 8.574 3.391 1.00 1.22 H new ATOM 970 N GLU A 839 11.487 4.304 0.911 1.00 0.21 N ATOM 971 CA GLU A 839 12.938 4.338 0.778 1.00 0.26 C ATOM 972 C GLU A 839 13.442 3.095 0.056 1.00 0.27 C ATOM 973 O GLU A 839 14.264 3.187 -0.848 1.00 0.31 O ATOM 974 CB GLU A 839 13.590 4.438 2.156 1.00 0.32 C ATOM 975 CG GLU A 839 13.327 5.758 2.860 1.00 0.47 C ATOM 976 CD GLU A 839 14.102 6.912 2.254 1.00 1.34 C ATOM 977 OE1 GLU A 839 13.995 7.122 1.025 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.823 7.614 2.995 1.00 1.85 O ATOM 0 H GLU A 839 11.155 4.317 1.875 1.00 0.21 H new ATOM 0 HA GLU A 839 13.208 5.215 0.190 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.225 3.623 2.781 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.666 4.301 2.050 1.00 0.32 H new ATOM 0 HG2 GLU A 839 12.261 5.981 2.818 1.00 0.47 H new ATOM 0 HG3 GLU A 839 13.592 5.662 3.913 1.00 0.47 H new ATOM 985 N MET A 840 12.912 1.947 0.450 1.00 0.27 N ATOM 986 CA MET A 840 13.262 0.664 -0.153 1.00 0.31 C ATOM 987 C MET A 840 13.084 0.700 -1.668 1.00 0.34 C ATOM 988 O MET A 840 13.997 0.352 -2.414 1.00 0.40 O ATOM 989 CB MET A 840 12.379 -0.432 0.453 1.00 0.32 C ATOM 990 CG MET A 840 12.470 -1.780 -0.237 1.00 0.36 C ATOM 991 SD MET A 840 11.187 -2.913 0.327 1.00 0.76 S ATOM 992 CE MET A 840 9.712 -1.990 -0.112 1.00 0.35 C ATOM 0 H MET A 840 12.224 1.876 1.200 1.00 0.27 H new ATOM 0 HA MET A 840 14.311 0.454 0.055 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.649 -0.558 1.501 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.342 -0.097 0.429 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.384 -1.642 -1.315 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.450 -2.219 -0.049 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.109 -1.821 0.780 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.998 -1.031 -0.543 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.132 -2.557 -0.840 1.00 0.35 H new ATOM 1002 N LEU A 841 11.916 1.150 -2.107 1.00 0.30 N ATOM 1003 CA LEU A 841 11.601 1.241 -3.528 1.00 0.35 C ATOM 1004 C LEU A 841 12.585 2.159 -4.248 1.00 0.39 C ATOM 1005 O LEU A 841 13.238 1.754 -5.211 1.00 0.50 O ATOM 1006 CB LEU A 841 10.184 1.790 -3.706 1.00 0.33 C ATOM 1007 CG LEU A 841 9.089 1.056 -2.933 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.811 1.875 -2.930 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.835 -0.318 -3.530 1.00 0.62 C ATOM 0 H LEU A 841 11.163 1.461 -1.493 1.00 0.30 H new ATOM 0 HA LEU A 841 11.674 0.242 -3.958 1.00 0.35 H new ATOM 0 HB2 LEU A 841 10.179 2.837 -3.402 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.934 1.764 -4.767 1.00 0.33 H new ATOM 0 HG LEU A 841 9.425 0.923 -1.904 1.00 0.35 H new ATOM 0 HD11 LEU A 841 7.038 1.342 -2.376 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.997 2.839 -2.456 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.478 2.034 -3.956 1.00 0.62 H new ATOM 0 HD21 LEU A 841 8.052 -0.822 -2.963 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.520 -0.211 -4.568 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.750 -0.908 -3.487 1.00 0.62 H new ATOM 1021 N ALA A 842 12.668 3.401 -3.779 1.00 0.36 N ATOM 1022 CA ALA A 842 13.509 4.411 -4.414 1.00 0.44 C ATOM 1023 C ALA A 842 14.986 4.026 -4.398 1.00 0.52 C ATOM 1024 O ALA A 842 15.682 4.158 -5.409 1.00 0.61 O ATOM 1025 CB ALA A 842 13.310 5.754 -3.731 1.00 0.47 C ATOM 0 H ALA A 842 12.161 3.733 -2.958 1.00 0.36 H new ATOM 0 HA ALA A 842 13.205 4.482 -5.458 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.941 6.503 -4.210 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.265 6.053 -3.814 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.581 5.671 -2.679 1.00 0.47 H new ATOM 1031 N GLU A 843 15.467 3.608 -3.234 1.00 0.53 N ATOM 1032 CA GLU A 843 16.876 3.280 -3.053 1.00 0.66 C ATOM 1033 C GLU A 843 17.274 2.071 -3.887 1.00 0.71 C ATOM 1034 O GLU A 843 18.291 2.094 -4.582 1.00 0.81 O ATOM 1035 CB GLU A 843 17.154 3.002 -1.576 1.00 0.71 C ATOM 1036 CG GLU A 843 18.622 2.802 -1.245 1.00 1.45 C ATOM 1037 CD GLU A 843 18.840 2.424 0.206 1.00 2.11 C ATOM 1038 OE1 GLU A 843 17.847 2.145 0.909 1.00 2.92 O ATOM 1039 OE2 GLU A 843 20.005 2.398 0.653 1.00 2.43 O ATOM 0 H GLU A 843 14.898 3.487 -2.396 1.00 0.53 H new ATOM 0 HA GLU A 843 17.469 4.132 -3.386 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.769 3.832 -0.983 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.601 2.112 -1.275 1.00 0.71 H new ATOM 0 HG2 GLU A 843 19.034 2.023 -1.887 1.00 1.45 H new ATOM 0 HG3 GLU A 843 19.170 3.718 -1.465 1.00 1.45 H new ATOM 1046 N ASN A 844 16.526 0.984 -3.754 1.00 0.67 N ATOM 1047 CA ASN A 844 16.857 -0.247 -4.459 1.00 0.80 C ATOM 1048 C ASN A 844 16.648 -0.098 -5.957 1.00 0.79 C ATOM 1049 O ASN A 844 17.616 -0.162 -6.715 1.00 1.11 O ATOM 1050 CB ASN A 844 16.044 -1.423 -3.923 1.00 0.85 C ATOM 1051 CG ASN A 844 16.538 -1.899 -2.571 1.00 0.97 C ATOM 1052 OD1 ASN A 844 17.646 -2.422 -2.454 1.00 1.53 O ATOM 1053 ND2 ASN A 844 15.731 -1.708 -1.539 1.00 1.15 N ATOM 0 H ASN A 844 15.692 0.929 -3.169 1.00 0.67 H new ATOM 0 HA ASN A 844 17.913 -0.450 -4.282 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.997 -1.130 -3.842 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.090 -2.247 -4.635 1.00 0.85 H new ATOM 0 HD21 ASN A 844 16.020 -1.998 -0.605 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.820 -1.271 -1.678 1.00 1.15 H new ATOM 1060 N ASN A 845 15.407 0.233 -6.351 1.00 0.62 N ATOM 1061 CA ASN A 845 15.045 0.484 -7.758 1.00 0.71 C ATOM 1062 C ASN A 845 13.544 0.311 -7.970 1.00 0.61 C ATOM 1063 O ASN A 845 12.981 0.841 -8.929 1.00 0.71 O ATOM 1064 CB ASN A 845 15.801 -0.437 -8.746 1.00 0.92 C ATOM 1065 CG ASN A 845 15.475 -1.920 -8.591 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.369 -2.368 -8.887 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.445 -2.694 -8.133 1.00 1.48 N ATOM 0 H ASN A 845 14.625 0.334 -5.703 1.00 0.62 H new ATOM 0 HA ASN A 845 15.338 1.513 -7.965 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.566 -0.129 -9.765 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.873 -0.296 -8.610 1.00 0.92 H new ATOM 0 HD21 ASN A 845 16.287 -3.695 -8.016 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.351 -2.290 -7.897 1.00 1.48 H new ATOM 1074 N GLU A 846 12.948 -0.575 -7.181 1.00 0.55 N ATOM 1075 CA GLU A 846 11.575 -1.011 -7.407 1.00 0.63 C ATOM 1076 C GLU A 846 10.537 0.088 -7.210 1.00 0.73 C ATOM 1077 O GLU A 846 10.848 1.244 -6.912 1.00 1.49 O ATOM 1078 CB GLU A 846 11.236 -2.192 -6.496 1.00 0.77 C ATOM 1079 CG GLU A 846 11.216 -3.536 -7.213 1.00 1.40 C ATOM 1080 CD GLU A 846 10.133 -3.639 -8.281 1.00 2.19 C ATOM 1081 OE1 GLU A 846 9.319 -2.702 -8.411 1.00 2.97 O ATOM 1082 OE2 GLU A 846 10.091 -4.663 -8.992 1.00 2.54 O ATOM 0 H GLU A 846 13.397 -1.008 -6.374 1.00 0.55 H new ATOM 0 HA GLU A 846 11.528 -1.306 -8.455 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.964 -2.234 -5.685 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.261 -2.019 -6.041 1.00 0.77 H new ATOM 0 HG2 GLU A 846 12.188 -3.707 -7.675 1.00 1.40 H new ATOM 0 HG3 GLU A 846 11.068 -4.328 -6.479 1.00 1.40 H new ATOM 1089 N LYS A 847 9.293 -0.319 -7.392 1.00 0.42 N ATOM 1090 CA LYS A 847 8.137 0.549 -7.266 1.00 0.37 C ATOM 1091 C LYS A 847 6.864 -0.291 -7.155 1.00 0.35 C ATOM 1092 O LYS A 847 5.849 0.181 -6.638 1.00 0.44 O ATOM 1093 CB LYS A 847 8.030 1.498 -8.462 1.00 0.44 C ATOM 1094 CG LYS A 847 7.048 2.637 -8.237 1.00 0.63 C ATOM 1095 CD LYS A 847 6.932 3.555 -9.446 1.00 1.29 C ATOM 1096 CE LYS A 847 8.283 4.107 -9.877 1.00 1.80 C ATOM 1097 NZ LYS A 847 8.864 3.351 -11.020 1.00 2.40 N ATOM 0 H LYS A 847 9.054 -1.280 -7.636 1.00 0.42 H new ATOM 0 HA LYS A 847 8.257 1.148 -6.363 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.015 1.913 -8.677 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.724 0.931 -9.341 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.067 2.225 -8.002 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.364 3.219 -7.372 1.00 0.63 H new ATOM 0 HD2 LYS A 847 6.483 3.007 -10.275 1.00 1.29 H new ATOM 0 HD3 LYS A 847 6.262 4.381 -9.210 1.00 1.29 H new ATOM 0 HE2 LYS A 847 8.172 5.155 -10.156 1.00 1.80 H new ATOM 0 HE3 LYS A 847 8.973 4.073 -9.034 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 9.902 3.410 -10.984 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 8.572 2.355 -10.961 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 8.525 3.759 -11.914 1.00 2.40 H new ATOM 1111 N PHE A 848 6.913 -1.530 -7.668 1.00 0.32 N ATOM 1112 CA PHE A 848 5.766 -2.426 -7.613 1.00 0.30 C ATOM 1113 C PHE A 848 5.353 -2.636 -6.171 1.00 0.24 C ATOM 1114 O PHE A 848 6.142 -3.121 -5.352 1.00 0.21 O ATOM 1115 CB PHE A 848 6.115 -3.788 -8.223 1.00 0.31 C ATOM 1116 CG PHE A 848 4.932 -4.547 -8.771 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.200 -5.431 -7.979 1.00 0.35 C ATOM 1118 CD2 PHE A 848 4.572 -4.395 -10.101 1.00 0.46 C ATOM 1119 CE1 PHE A 848 3.139 -6.138 -8.513 1.00 0.42 C ATOM 1120 CE2 PHE A 848 3.509 -5.099 -10.633 1.00 0.54 C ATOM 1121 CZ PHE A 848 2.793 -5.971 -9.838 1.00 0.52 C ATOM 0 H PHE A 848 7.736 -1.926 -8.123 1.00 0.32 H new ATOM 0 HA PHE A 848 4.952 -1.974 -8.179 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.838 -3.639 -9.025 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.603 -4.399 -7.463 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.464 -5.564 -6.940 1.00 0.35 H new ATOM 0 HD2 PHE A 848 5.130 -3.717 -10.730 1.00 0.46 H new ATOM 0 HE1 PHE A 848 2.580 -6.822 -7.892 1.00 0.42 H new ATOM 0 HE2 PHE A 848 3.238 -4.967 -11.670 1.00 0.54 H new ATOM 0 HZ PHE A 848 1.962 -6.522 -10.253 1.00 0.52 H new ATOM 1131 N LEU A 849 4.104 -2.339 -5.884 1.00 0.22 N ATOM 1132 CA LEU A 849 3.579 -2.500 -4.552 1.00 0.18 C ATOM 1133 C LEU A 849 2.267 -3.259 -4.605 1.00 0.17 C ATOM 1134 O LEU A 849 1.466 -3.099 -5.527 1.00 0.19 O ATOM 1135 CB LEU A 849 3.381 -1.136 -3.883 1.00 0.20 C ATOM 1136 CG LEU A 849 3.220 -1.169 -2.365 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.477 -1.712 -1.707 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.910 0.218 -1.842 1.00 0.55 C ATOM 0 H LEU A 849 3.432 -1.982 -6.563 1.00 0.22 H new ATOM 0 HA LEU A 849 4.294 -3.069 -3.958 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.234 -0.503 -4.127 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.499 -0.663 -4.315 1.00 0.20 H new ATOM 0 HG LEU A 849 2.389 -1.831 -2.119 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.344 -1.728 -0.625 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.667 -2.724 -2.064 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.324 -1.074 -1.959 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.797 0.182 -0.758 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.725 0.895 -2.100 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.984 0.578 -2.291 1.00 0.55 H new ATOM 1150 N ASN A 850 2.069 -4.095 -3.619 1.00 0.16 N ATOM 1151 CA ASN A 850 0.866 -4.891 -3.501 1.00 0.17 C ATOM 1152 C ASN A 850 0.310 -4.686 -2.115 1.00 0.17 C ATOM 1153 O ASN A 850 1.064 -4.386 -1.195 1.00 0.16 O ATOM 1154 CB ASN A 850 1.164 -6.373 -3.735 1.00 0.19 C ATOM 1155 CG ASN A 850 1.539 -6.679 -5.170 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.702 -6.627 -6.072 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.807 -6.983 -5.394 1.00 0.45 N ATOM 0 H ASN A 850 2.741 -4.247 -2.867 1.00 0.16 H new ATOM 0 HA ASN A 850 0.143 -4.580 -4.255 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.977 -6.683 -3.078 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.289 -6.962 -3.460 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.123 -7.185 -6.342 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.468 -7.015 -4.618 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.999 -4.703 -1.983 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.620 -4.383 -0.713 1.00 0.21 C ATOM 1166 C ILE A 851 -2.540 -5.509 -0.320 1.00 0.24 C ATOM 1167 O ILE A 851 -3.387 -5.936 -1.104 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.466 -3.089 -0.764 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -1.995 -2.145 -1.869 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.435 -2.373 0.579 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.618 -1.549 -1.647 1.00 0.28 C ATOM 0 H ILE A 851 -1.651 -4.933 -2.733 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.813 -4.237 0.005 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.491 -3.384 -0.989 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -1.994 -2.686 -2.815 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.716 -1.333 -1.967 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.036 -1.466 0.522 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.840 -3.028 1.350 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.407 -2.112 0.828 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.367 -0.893 -2.480 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.615 -0.976 -0.720 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.119 -2.350 -1.581 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.317 -6.038 0.862 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.092 -7.145 1.332 1.00 0.37 C ATOM 1185 C ARG A 852 -4.222 -6.664 2.201 1.00 0.39 C ATOM 1186 O ARG A 852 -3.992 -6.139 3.293 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.238 -8.106 2.139 1.00 0.46 C ATOM 1188 CG ARG A 852 -2.923 -9.426 2.436 1.00 0.60 C ATOM 1189 CD ARG A 852 -1.936 -10.426 3.014 1.00 0.70 C ATOM 1190 NE ARG A 852 -2.580 -11.634 3.540 1.00 1.27 N ATOM 1191 CZ ARG A 852 -3.203 -12.555 2.800 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -3.223 -12.465 1.473 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -3.789 -13.586 3.396 1.00 2.38 N ATOM 0 H ARG A 852 -1.601 -5.712 1.511 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.488 -7.661 0.457 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.313 -8.301 1.596 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.961 -7.630 3.080 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -3.741 -9.267 3.139 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.362 -9.827 1.522 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.222 -10.710 2.241 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.369 -9.947 3.812 1.00 0.70 H new ATOM 0 HE ARG A 852 -2.550 -11.782 4.549 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -2.759 -11.685 1.008 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -3.703 -13.176 0.921 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -3.762 -13.671 4.412 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -4.267 -14.294 2.838 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.421 -7.015 1.806 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.566 -6.821 2.654 1.00 0.54 C ATOM 1209 C LEU A 853 -7.107 -8.181 3.024 1.00 0.63 C ATOM 1210 O LEU A 853 -8.169 -8.607 2.562 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.627 -5.952 1.994 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.231 -4.488 1.793 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.329 -4.329 0.575 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -8.470 -3.620 1.679 1.00 1.56 C ATOM 0 H LEU A 853 -5.627 -7.437 0.901 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.266 -6.284 3.554 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -7.875 -6.382 1.024 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.533 -5.988 2.600 1.00 0.71 H new ATOM 0 HG LEU A 853 -6.664 -4.159 2.664 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.062 -3.279 0.455 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -5.424 -4.920 0.713 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -6.855 -4.674 -0.315 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -8.174 -2.581 1.536 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -9.067 -3.948 0.828 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -9.061 -3.707 2.591 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.262 -8.906 3.735 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.517 -10.275 4.132 1.00 1.08 C ATOM 1228 C TYR A 854 -7.889 -10.434 4.775 1.00 1.25 C ATOM 1229 O TYR A 854 -8.309 -9.545 5.533 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.411 -10.762 5.079 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.897 -9.722 6.072 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -5.681 -8.652 6.504 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -3.606 -9.815 6.568 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -5.194 -7.719 7.393 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -3.112 -8.884 7.458 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.908 -7.841 7.869 1.00 0.79 C ATOM 1237 OH TYR A 854 -3.412 -6.909 8.753 1.00 0.92 O ATOM 1238 OXT TYR A 854 -8.559 -11.439 4.477 1.00 1.77 O ATOM 0 H TYR A 854 -5.362 -8.551 4.058 1.00 0.99 H new ATOM 0 HA TYR A 854 -6.512 -10.891 3.233 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.786 -11.620 5.638 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.571 -11.114 4.480 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -6.691 -8.553 6.134 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -2.975 -10.632 6.252 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -5.817 -6.897 7.714 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -2.102 -8.974 7.831 1.00 0.86 H new ATOM 0 HH TYR A 854 -3.356 -6.036 8.311 1.00 0.92 H new TER 1248 TYR A 854