USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 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 819 GLN :FLIP amide:sc= -0.13 F(o=-7.7!,f=-6) USER MOD Set 1.2: A 850 ASN : amide:sc= -5.91! C(o=-6!,f=-6.4!) USER MOD Set 2.1: A 835 ASN : amide:sc= 0.798 K(o=1.3,f=-6.9) USER MOD Set 2.2: A 838 LYS NZ :NH3+ 148:sc= 0.463 (180deg=-1.88!) USER MOD Set 3.1: A 814 THR OG1 : rot 171:sc= 0.798 USER MOD Set 3.2: A 815 LYS NZ :NH3+ -116:sc= 0.906 (180deg=0) USER MOD Set 4.1: A 809 ASN : amide:sc= 0.252 K(o=1.4,f=-3) USER MOD Set 4.2: A 811 SER OG : rot -10:sc= 1.18 USER MOD Single : A 778 SER OG : rot 26:sc= 0.192 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 LYS NZ :NH3+ -137:sc= 1.55 (180deg=-2.53!) USER MOD Single : A 790 ASN : amide:sc= -0.075 X(o=-0.075,f=-0.11) USER MOD Single : A 796 MET CE :methyl -169:sc= -1.53 (180deg=-1.62) USER MOD Single : A 799 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00226) USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 804 ASN :FLIP amide:sc= -0.15 F(o=-1.2,f=-0.15) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= 1.04 K(o=1,f=-5!) USER MOD Single : A 807 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 808 ASN :FLIP amide:sc= -0.304 F(o=-1.7!,f=-0.3) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 840 MET CE :methyl -171:sc= -3.83 (180deg=-3.93!) USER MOD Single : A 844 ASN :FLIP amide:sc= -0.0357 F(o=-1.8,f=-0.036) USER MOD Single : A 845 ASN : amide:sc= -0.366 K(o=-0.37,f=-1.2) USER MOD Single : A 847 LYS NZ :NH3+ -171:sc= -0.291 (180deg=-0.307) USER MOD Single : A 854 TYR OH : rot 180:sc=-0.00622 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -8.776 -10.474 2.919 1.00 2.40 N ATOM 2 CA SER A 778 -7.439 -10.713 2.339 1.00 2.10 C ATOM 3 C SER A 778 -7.467 -10.580 0.821 1.00 1.16 C ATOM 4 O SER A 778 -6.680 -11.218 0.118 1.00 1.09 O ATOM 5 CB SER A 778 -6.991 -12.108 2.763 1.00 2.58 C ATOM 6 OG SER A 778 -7.058 -12.242 4.176 1.00 3.17 O ATOM 0 HA SER A 778 -6.733 -9.967 2.704 1.00 2.10 H new ATOM 0 HB2 SER A 778 -7.623 -12.859 2.290 1.00 2.58 H new ATOM 0 HB3 SER A 778 -5.972 -12.289 2.422 1.00 2.58 H new ATOM 0 HG SER A 778 -7.729 -11.623 4.532 1.00 3.17 H new ATOM 14 N GLU A 779 -8.260 -9.630 0.333 1.00 0.78 N ATOM 15 CA GLU A 779 -8.240 -9.287 -1.079 1.00 0.85 C ATOM 16 C GLU A 779 -6.945 -8.559 -1.401 1.00 0.75 C ATOM 17 O GLU A 779 -6.609 -7.565 -0.753 1.00 1.17 O ATOM 18 CB GLU A 779 -9.442 -8.407 -1.432 1.00 1.60 C ATOM 19 CG GLU A 779 -10.772 -9.145 -1.401 1.00 1.95 C ATOM 20 CD GLU A 779 -11.967 -8.216 -1.522 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.942 -7.324 -2.398 1.00 3.25 O ATOM 22 OE2 GLU A 779 -12.925 -8.351 -0.729 1.00 2.92 O ATOM 0 H GLU A 779 -8.919 -9.089 0.893 1.00 0.78 H new ATOM 0 HA GLU A 779 -8.299 -10.201 -1.670 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -9.485 -7.570 -0.735 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -9.293 -7.986 -2.427 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -10.798 -9.870 -2.214 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -10.848 -9.707 -0.470 1.00 1.95 H new ATOM 29 N ILE A 780 -6.182 -9.095 -2.339 1.00 0.62 N ATOM 30 CA ILE A 780 -4.910 -8.496 -2.695 1.00 0.43 C ATOM 31 C ILE A 780 -5.140 -7.277 -3.578 1.00 0.37 C ATOM 32 O ILE A 780 -6.046 -7.250 -4.415 1.00 0.49 O ATOM 33 CB ILE A 780 -3.954 -9.519 -3.381 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.627 -9.619 -2.609 1.00 0.75 C ATOM 35 CG2 ILE A 780 -3.687 -9.174 -4.845 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.851 -8.317 -2.526 1.00 0.51 C ATOM 0 H ILE A 780 -6.420 -9.937 -2.863 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.418 -8.177 -1.776 1.00 0.43 H new ATOM 0 HB ILE A 780 -4.456 -10.486 -3.361 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.834 -9.970 -1.598 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -1.999 -10.372 -3.085 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.016 -9.916 -5.277 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -4.628 -9.171 -5.396 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -3.226 -8.188 -4.908 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.930 -8.477 -1.966 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -1.609 -7.973 -3.532 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -2.456 -7.564 -2.021 1.00 0.51 H new ATOM 48 N PHE A 781 -4.352 -6.257 -3.342 1.00 0.28 N ATOM 49 CA PHE A 781 -4.452 -5.017 -4.076 1.00 0.26 C ATOM 50 C PHE A 781 -3.083 -4.660 -4.622 1.00 0.22 C ATOM 51 O PHE A 781 -2.066 -5.047 -4.051 1.00 0.21 O ATOM 52 CB PHE A 781 -4.998 -3.900 -3.180 1.00 0.29 C ATOM 53 CG PHE A 781 -5.149 -2.583 -3.884 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.754 -2.506 -5.128 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.665 -1.423 -3.311 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.872 -1.297 -5.780 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.776 -0.213 -3.960 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.378 -0.150 -5.196 1.00 0.52 C ATOM 0 H PHE A 781 -3.619 -6.262 -2.632 1.00 0.28 H new ATOM 0 HA PHE A 781 -5.149 -5.137 -4.905 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.967 -4.204 -2.785 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.332 -3.772 -2.327 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -6.137 -3.403 -5.592 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.193 -1.465 -2.341 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.351 -1.249 -6.747 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.391 0.685 -3.500 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.463 0.797 -5.708 1.00 0.52 H new ATOM 68 N THR A 782 -3.061 -4.053 -5.790 1.00 0.23 N ATOM 69 CA THR A 782 -1.820 -3.784 -6.480 1.00 0.23 C ATOM 70 C THR A 782 -1.734 -2.306 -6.823 1.00 0.23 C ATOM 71 O THR A 782 -2.718 -1.690 -7.236 1.00 0.25 O ATOM 72 CB THR A 782 -1.717 -4.618 -7.775 1.00 0.29 C ATOM 73 OG1 THR A 782 -2.948 -4.540 -8.509 1.00 1.39 O ATOM 74 CG2 THR A 782 -1.414 -6.074 -7.471 1.00 1.34 C ATOM 0 H THR A 782 -3.895 -3.735 -6.283 1.00 0.23 H new ATOM 0 HA THR A 782 -0.996 -4.060 -5.822 1.00 0.23 H new ATOM 0 HB THR A 782 -0.901 -4.207 -8.369 1.00 0.29 H new ATOM 0 HG1 THR A 782 -2.874 -5.070 -9.330 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.348 -6.634 -8.404 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.466 -6.145 -6.937 1.00 1.34 H new ATOM 0 HG23 THR A 782 -2.210 -6.490 -6.854 1.00 1.34 H new ATOM 82 N LEU A 783 -0.622 -1.711 -6.445 1.00 0.22 N ATOM 83 CA LEU A 783 -0.457 -0.276 -6.516 1.00 0.21 C ATOM 84 C LEU A 783 1.004 0.058 -6.758 1.00 0.21 C ATOM 85 O LEU A 783 1.888 -0.691 -6.365 1.00 0.23 O ATOM 86 CB LEU A 783 -0.958 0.378 -5.223 1.00 0.26 C ATOM 87 CG LEU A 783 -1.033 1.908 -5.241 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.934 2.389 -6.369 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.538 2.426 -3.903 1.00 0.61 C ATOM 0 H LEU A 783 0.191 -2.208 -6.081 1.00 0.22 H new ATOM 0 HA LEU A 783 -1.047 0.115 -7.345 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.950 -0.014 -5.000 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.304 0.074 -4.406 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.031 2.300 -5.413 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -1.973 3.478 -6.364 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.537 2.045 -7.324 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.938 1.989 -6.228 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.587 3.515 -3.929 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.532 2.023 -3.708 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.858 2.112 -3.111 1.00 0.61 H new ATOM 101 N LEU A 784 1.261 1.130 -7.465 1.00 0.20 N ATOM 102 CA LEU A 784 2.626 1.493 -7.779 1.00 0.22 C ATOM 103 C LEU A 784 2.865 2.916 -7.328 1.00 0.21 C ATOM 104 O LEU A 784 2.187 3.838 -7.785 1.00 0.23 O ATOM 105 CB LEU A 784 2.870 1.374 -9.284 1.00 0.29 C ATOM 106 CG LEU A 784 4.316 1.582 -9.733 1.00 0.91 C ATOM 107 CD1 LEU A 784 5.092 0.282 -9.651 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.356 2.145 -11.141 1.00 1.45 C ATOM 0 H LEU A 784 0.552 1.764 -7.833 1.00 0.20 H new ATOM 0 HA LEU A 784 3.313 0.821 -7.265 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.545 0.386 -9.610 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.240 2.102 -9.796 1.00 0.29 H new ATOM 0 HG LEU A 784 4.787 2.301 -9.063 1.00 0.91 H new ATOM 0 HD11 LEU A 784 6.119 0.450 -9.975 1.00 1.53 H new ATOM 0 HD12 LEU A 784 5.090 -0.079 -8.622 1.00 1.53 H new ATOM 0 HD13 LEU A 784 4.625 -0.462 -10.297 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.393 2.288 -11.447 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.868 1.450 -11.825 1.00 1.45 H new ATOM 0 HD23 LEU A 784 3.836 3.103 -11.165 1.00 1.45 H new ATOM 120 N VAL A 785 3.717 3.066 -6.321 1.00 0.22 N ATOM 121 CA VAL A 785 3.940 4.369 -5.722 1.00 0.25 C ATOM 122 C VAL A 785 4.580 5.309 -6.742 1.00 0.34 C ATOM 123 O VAL A 785 5.651 5.032 -7.287 1.00 0.79 O ATOM 124 CB VAL A 785 4.786 4.280 -4.417 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.099 3.398 -3.386 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.185 3.760 -4.683 1.00 1.10 C ATOM 0 H VAL A 785 4.259 2.307 -5.908 1.00 0.22 H new ATOM 0 HA VAL A 785 2.971 4.776 -5.431 1.00 0.25 H new ATOM 0 HB VAL A 785 4.870 5.293 -4.025 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.708 3.351 -2.483 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.122 3.816 -3.143 1.00 0.95 H new ATOM 0 HG13 VAL A 785 3.973 2.394 -3.792 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.740 3.714 -3.746 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.126 2.763 -5.119 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.696 4.429 -5.375 1.00 1.10 H new ATOM 136 N GLU A 786 3.812 6.315 -7.138 1.00 0.69 N ATOM 137 CA GLU A 786 4.217 7.233 -8.196 1.00 0.81 C ATOM 138 C GLU A 786 5.453 8.006 -7.775 1.00 0.87 C ATOM 139 O GLU A 786 6.352 8.262 -8.575 1.00 1.56 O ATOM 140 CB GLU A 786 3.073 8.200 -8.510 1.00 0.99 C ATOM 141 CG GLU A 786 1.807 7.503 -8.982 1.00 1.51 C ATOM 142 CD GLU A 786 0.586 8.398 -8.925 1.00 2.26 C ATOM 143 OE1 GLU A 786 0.211 8.826 -7.813 1.00 3.06 O ATOM 144 OE2 GLU A 786 -0.014 8.671 -9.985 1.00 2.59 O ATOM 0 H GLU A 786 2.896 6.518 -6.738 1.00 0.69 H new ATOM 0 HA GLU A 786 4.453 6.659 -9.092 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.846 8.785 -7.619 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.400 8.902 -9.277 1.00 0.99 H new ATOM 0 HG2 GLU A 786 1.949 7.156 -10.005 1.00 1.51 H new ATOM 0 HG3 GLU A 786 1.633 6.620 -8.367 1.00 1.51 H new ATOM 151 N LYS A 787 5.503 8.320 -6.494 1.00 0.91 N ATOM 152 CA LYS A 787 6.622 9.027 -5.905 1.00 1.01 C ATOM 153 C LYS A 787 6.528 8.892 -4.397 1.00 0.96 C ATOM 154 O LYS A 787 5.709 8.114 -3.901 1.00 1.58 O ATOM 155 CB LYS A 787 6.617 10.513 -6.325 1.00 1.17 C ATOM 156 CG LYS A 787 5.553 11.387 -5.651 1.00 1.21 C ATOM 157 CD LYS A 787 4.136 10.898 -5.921 1.00 1.35 C ATOM 158 CE LYS A 787 3.086 11.852 -5.368 1.00 1.27 C ATOM 159 NZ LYS A 787 3.337 12.221 -3.945 1.00 1.80 N ATOM 0 H LYS A 787 4.764 8.090 -5.830 1.00 0.91 H new ATOM 0 HA LYS A 787 7.559 8.596 -6.258 1.00 1.01 H new ATOM 0 HB2 LYS A 787 7.598 10.936 -6.111 1.00 1.17 H new ATOM 0 HB3 LYS A 787 6.475 10.567 -7.404 1.00 1.17 H new ATOM 0 HG2 LYS A 787 5.729 11.403 -4.575 1.00 1.21 H new ATOM 0 HG3 LYS A 787 5.653 12.413 -6.005 1.00 1.21 H new ATOM 0 HD2 LYS A 787 3.991 10.783 -6.995 1.00 1.35 H new ATOM 0 HD3 LYS A 787 4.002 9.913 -5.474 1.00 1.35 H new ATOM 0 HE2 LYS A 787 3.067 12.757 -5.976 1.00 1.27 H new ATOM 0 HE3 LYS A 787 2.102 11.391 -5.451 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 2.441 12.198 -3.417 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 4.004 11.544 -3.523 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 3.741 13.178 -3.901 1.00 1.80 H new ATOM 173 N VAL A 788 7.284 9.704 -3.672 1.00 0.66 N ATOM 174 CA VAL A 788 7.185 9.730 -2.222 1.00 0.61 C ATOM 175 C VAL A 788 5.761 10.095 -1.799 1.00 0.70 C ATOM 176 O VAL A 788 5.222 11.128 -2.196 1.00 1.70 O ATOM 177 CB VAL A 788 8.185 10.730 -1.600 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.017 10.797 -0.089 1.00 0.87 C ATOM 179 CG2 VAL A 788 9.613 10.347 -1.960 1.00 1.21 C ATOM 0 H VAL A 788 7.969 10.350 -4.063 1.00 0.66 H new ATOM 0 HA VAL A 788 7.432 8.733 -1.856 1.00 0.61 H new ATOM 0 HB VAL A 788 7.976 11.719 -2.009 1.00 0.70 H new ATOM 0 HG11 VAL A 788 8.732 11.508 0.325 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.004 11.120 0.150 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.195 9.811 0.341 1.00 0.87 H new ATOM 0 HG21 VAL A 788 10.305 11.062 -1.514 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.828 9.348 -1.581 1.00 1.21 H new ATOM 0 HG23 VAL A 788 9.730 10.357 -3.044 1.00 1.21 H new ATOM 189 N TRP A 789 5.130 9.184 -1.078 1.00 0.50 N ATOM 190 CA TRP A 789 3.756 9.351 -0.635 1.00 0.33 C ATOM 191 C TRP A 789 3.720 9.541 0.874 1.00 0.29 C ATOM 192 O TRP A 789 4.188 8.680 1.610 1.00 0.34 O ATOM 193 CB TRP A 789 2.941 8.110 -1.011 1.00 0.32 C ATOM 194 CG TRP A 789 2.419 8.106 -2.419 1.00 0.34 C ATOM 195 CD1 TRP A 789 2.401 9.150 -3.298 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.840 6.994 -3.109 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.804 8.763 -4.474 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.460 7.445 -4.383 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.592 5.663 -2.770 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.847 6.615 -5.313 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.987 4.839 -3.696 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.616 5.319 -4.954 1.00 0.44 C ATOM 0 H TRP A 789 5.557 8.306 -0.783 1.00 0.50 H new ATOM 0 HA TRP A 789 3.329 10.229 -1.119 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.562 7.226 -0.866 1.00 0.32 H new ATOM 0 HB3 TRP A 789 2.098 8.024 -0.325 1.00 0.32 H new ATOM 0 HD1 TRP A 789 2.797 10.135 -3.099 1.00 0.39 H new ATOM 0 HE1 TRP A 789 1.644 9.363 -5.283 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.870 5.284 -1.797 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.563 6.983 -6.288 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.797 3.806 -3.444 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.137 4.652 -5.656 1.00 0.44 H new ATOM 213 N ASN A 790 3.166 10.649 1.346 1.00 0.29 N ATOM 214 CA ASN A 790 3.109 10.913 2.789 1.00 0.32 C ATOM 215 C ASN A 790 1.951 10.147 3.439 1.00 0.37 C ATOM 216 O ASN A 790 1.238 10.681 4.289 1.00 0.82 O ATOM 217 CB ASN A 790 2.979 12.418 3.065 1.00 0.39 C ATOM 218 CG ASN A 790 3.357 12.780 4.492 1.00 1.20 C ATOM 219 OD1 ASN A 790 4.478 12.517 4.932 1.00 2.06 O ATOM 220 ND2 ASN A 790 2.435 13.388 5.222 1.00 1.79 N ATOM 0 H ASN A 790 2.752 11.377 0.763 1.00 0.29 H new ATOM 0 HA ASN A 790 4.042 10.563 3.231 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.616 12.968 2.373 1.00 0.39 H new ATOM 0 HB3 ASN A 790 1.953 12.733 2.873 1.00 0.39 H new ATOM 0 HD21 ASN A 790 2.641 13.656 6.184 1.00 1.79 H new ATOM 0 HD22 ASN A 790 1.518 13.589 4.822 1.00 1.79 H new ATOM 227 N PHE A 791 1.783 8.889 3.015 1.00 0.30 N ATOM 228 CA PHE A 791 0.739 7.980 3.512 1.00 0.25 C ATOM 229 C PHE A 791 -0.657 8.413 3.064 1.00 0.23 C ATOM 230 O PHE A 791 -1.434 7.593 2.587 1.00 0.21 O ATOM 231 CB PHE A 791 0.798 7.844 5.037 1.00 0.28 C ATOM 232 CG PHE A 791 -0.128 6.797 5.600 1.00 0.30 C ATOM 233 CD1 PHE A 791 -0.089 5.497 5.126 1.00 0.30 C ATOM 234 CD2 PHE A 791 -1.045 7.116 6.594 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.940 4.532 5.631 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.901 6.155 7.100 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.827 4.865 6.659 1.00 0.42 C ATOM 0 H PHE A 791 2.379 8.465 2.304 1.00 0.30 H new ATOM 0 HA PHE A 791 0.937 7.002 3.073 1.00 0.25 H new ATOM 0 HB2 PHE A 791 1.820 7.604 5.330 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.555 8.807 5.486 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.616 5.233 4.351 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -1.090 8.125 6.976 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.920 3.528 5.234 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.632 6.426 7.848 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.452 4.104 7.103 1.00 0.42 H new ATOM 247 N ASP A 792 -0.955 9.700 3.176 1.00 0.26 N ATOM 248 CA ASP A 792 -2.244 10.232 2.750 1.00 0.29 C ATOM 249 C ASP A 792 -2.447 10.017 1.255 1.00 0.25 C ATOM 250 O ASP A 792 -3.492 9.531 0.834 1.00 0.26 O ATOM 251 CB ASP A 792 -2.363 11.720 3.087 1.00 0.38 C ATOM 252 CG ASP A 792 -2.529 11.971 4.571 1.00 1.13 C ATOM 253 OD1 ASP A 792 -3.530 11.501 5.150 1.00 1.74 O ATOM 254 OD2 ASP A 792 -1.658 12.641 5.168 1.00 1.86 O ATOM 0 H ASP A 792 -0.319 10.399 3.560 1.00 0.26 H new ATOM 0 HA ASP A 792 -3.022 9.693 3.291 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.474 12.241 2.732 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -3.215 12.142 2.554 1.00 0.38 H new ATOM 259 N ASP A 793 -1.406 10.289 0.469 1.00 0.24 N ATOM 260 CA ASP A 793 -1.448 10.050 -0.978 1.00 0.23 C ATOM 261 C ASP A 793 -1.700 8.584 -1.252 1.00 0.19 C ATOM 262 O ASP A 793 -2.559 8.218 -2.052 1.00 0.18 O ATOM 263 CB ASP A 793 -0.130 10.442 -1.651 1.00 0.28 C ATOM 264 CG ASP A 793 0.025 11.928 -1.881 1.00 0.75 C ATOM 265 OD1 ASP A 793 -0.794 12.702 -1.333 1.00 1.36 O ATOM 266 OD2 ASP A 793 0.931 12.331 -2.633 1.00 1.16 O ATOM 0 H ASP A 793 -0.524 10.674 0.806 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.253 10.662 -1.385 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.699 10.092 -1.035 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.056 9.927 -2.609 1.00 0.28 H new ATOM 271 N LEU A 794 -0.952 7.757 -0.545 1.00 0.18 N ATOM 272 CA LEU A 794 -1.060 6.317 -0.659 1.00 0.17 C ATOM 273 C LEU A 794 -2.472 5.840 -0.310 1.00 0.16 C ATOM 274 O LEU A 794 -3.096 5.134 -1.096 1.00 0.16 O ATOM 275 CB LEU A 794 0.007 5.669 0.240 1.00 0.19 C ATOM 276 CG LEU A 794 -0.294 4.256 0.746 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.306 3.251 -0.397 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.717 3.842 1.805 1.00 0.22 C ATOM 0 H LEU A 794 -0.250 8.068 0.127 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.881 6.014 -1.691 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.947 5.641 -0.311 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.163 6.315 1.104 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.287 4.267 1.195 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.523 2.257 -0.005 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.072 3.531 -1.120 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.668 3.244 -0.886 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.487 2.835 2.153 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.719 3.858 1.377 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.669 4.536 2.644 1.00 0.22 H new ATOM 290 N ILE A 795 -2.995 6.280 0.829 1.00 0.18 N ATOM 291 CA ILE A 795 -4.336 5.888 1.261 1.00 0.20 C ATOM 292 C ILE A 795 -5.424 6.441 0.341 1.00 0.19 C ATOM 293 O ILE A 795 -6.384 5.737 0.032 1.00 0.20 O ATOM 294 CB ILE A 795 -4.600 6.299 2.729 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.832 5.365 3.670 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.088 6.281 3.061 1.00 0.51 C ATOM 297 CD1 ILE A 795 -4.149 3.895 3.459 1.00 0.48 C ATOM 0 H ILE A 795 -2.513 6.908 1.471 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.378 4.801 1.198 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.249 7.322 2.864 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.762 5.521 3.530 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.061 5.633 4.701 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.232 6.575 4.101 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.615 6.979 2.410 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.482 5.276 2.910 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.569 3.294 4.159 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -5.212 3.724 3.628 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.893 3.611 2.438 1.00 0.48 H new ATOM 309 N MET A 796 -5.250 7.665 -0.153 1.00 0.22 N ATOM 310 CA MET A 796 -6.208 8.235 -1.099 1.00 0.26 C ATOM 311 C MET A 796 -6.267 7.384 -2.360 1.00 0.22 C ATOM 312 O MET A 796 -7.349 7.009 -2.817 1.00 0.23 O ATOM 313 CB MET A 796 -5.855 9.681 -1.459 1.00 0.38 C ATOM 314 CG MET A 796 -6.105 10.668 -0.330 1.00 0.93 C ATOM 315 SD MET A 796 -5.875 12.383 -0.838 1.00 2.03 S ATOM 316 CE MET A 796 -4.159 12.365 -1.347 1.00 2.69 C ATOM 0 H MET A 796 -4.466 8.274 0.081 1.00 0.22 H new ATOM 0 HA MET A 796 -7.186 8.240 -0.618 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.805 9.729 -1.746 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.438 9.982 -2.330 1.00 0.38 H new ATOM 0 HG2 MET A 796 -7.121 10.537 0.043 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.431 10.445 0.497 1.00 0.93 H new ATOM 0 HE1 MET A 796 -3.814 13.388 -1.501 1.00 2.69 H new ATOM 0 HE2 MET A 796 -3.555 11.891 -0.573 1.00 2.69 H new ATOM 0 HE3 MET A 796 -4.061 11.805 -2.277 1.00 2.69 H new ATOM 326 N ALA A 797 -5.094 6.990 -2.848 1.00 0.21 N ATOM 327 CA ALA A 797 -5.003 6.089 -3.990 1.00 0.22 C ATOM 328 C ALA A 797 -5.629 4.739 -3.650 1.00 0.21 C ATOM 329 O ALA A 797 -6.399 4.185 -4.442 1.00 0.26 O ATOM 330 CB ALA A 797 -3.551 5.919 -4.420 1.00 0.27 C ATOM 0 H ALA A 797 -4.193 7.282 -2.469 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.556 6.524 -4.823 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.501 5.243 -5.274 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.139 6.888 -4.700 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.973 5.504 -3.594 1.00 0.27 H new ATOM 336 N ILE A 798 -5.347 4.254 -2.439 1.00 0.20 N ATOM 337 CA ILE A 798 -5.924 3.007 -1.945 1.00 0.26 C ATOM 338 C ILE A 798 -7.446 3.060 -1.984 1.00 0.27 C ATOM 339 O ILE A 798 -8.086 2.246 -2.640 1.00 0.33 O ATOM 340 CB ILE A 798 -5.493 2.723 -0.486 1.00 0.31 C ATOM 341 CG1 ILE A 798 -4.000 2.423 -0.402 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.289 1.570 0.112 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.580 1.179 -1.144 1.00 0.67 C ATOM 0 H ILE A 798 -4.717 4.712 -1.780 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.558 2.213 -2.596 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.701 3.623 0.093 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.446 3.274 -0.798 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.719 2.320 0.646 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.962 1.396 1.137 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.350 1.819 0.107 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.125 0.669 -0.479 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.505 1.036 -1.035 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -4.104 0.316 -0.733 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.827 1.285 -2.200 1.00 0.67 H new ATOM 355 N ASN A 799 -8.012 4.041 -1.293 1.00 0.27 N ATOM 356 CA ASN A 799 -9.460 4.173 -1.168 1.00 0.33 C ATOM 357 C ASN A 799 -10.130 4.319 -2.522 1.00 0.31 C ATOM 358 O ASN A 799 -11.146 3.671 -2.791 1.00 0.40 O ATOM 359 CB ASN A 799 -9.825 5.372 -0.287 1.00 0.40 C ATOM 360 CG ASN A 799 -9.466 5.176 1.179 1.00 0.55 C ATOM 361 OD1 ASN A 799 -8.920 4.016 1.519 1.00 1.21 O flip ATOM 362 ND2 ASN A 799 -9.683 6.065 2.000 1.00 0.70 N flip ATOM 0 H ASN A 799 -7.484 4.765 -0.805 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.823 3.258 -0.700 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.314 6.259 -0.663 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.895 5.561 -0.369 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -10.105 6.944 1.700 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.441 5.923 2.981 1.00 0.70 H new ATOM 369 N SER A 800 -9.573 5.179 -3.359 1.00 0.30 N ATOM 370 CA SER A 800 -10.138 5.443 -4.670 1.00 0.35 C ATOM 371 C SER A 800 -10.192 4.163 -5.504 1.00 0.33 C ATOM 372 O SER A 800 -11.251 3.795 -6.016 1.00 0.41 O ATOM 373 CB SER A 800 -9.314 6.518 -5.385 1.00 0.44 C ATOM 374 OG SER A 800 -9.954 6.955 -6.570 1.00 1.29 O ATOM 0 H SER A 800 -8.726 5.708 -3.151 1.00 0.30 H new ATOM 0 HA SER A 800 -11.158 5.806 -4.545 1.00 0.35 H new ATOM 0 HB2 SER A 800 -9.162 7.366 -4.718 1.00 0.44 H new ATOM 0 HB3 SER A 800 -8.328 6.122 -5.627 1.00 0.44 H new ATOM 0 HG SER A 800 -9.406 7.642 -7.004 1.00 1.29 H new ATOM 380 N LYS A 801 -9.060 3.474 -5.604 1.00 0.29 N ATOM 381 CA LYS A 801 -8.978 2.237 -6.375 1.00 0.36 C ATOM 382 C LYS A 801 -9.773 1.092 -5.738 1.00 0.43 C ATOM 383 O LYS A 801 -10.402 0.315 -6.452 1.00 0.58 O ATOM 384 CB LYS A 801 -7.526 1.832 -6.588 1.00 0.43 C ATOM 385 CG LYS A 801 -6.837 2.605 -7.705 1.00 0.86 C ATOM 386 CD LYS A 801 -5.407 2.136 -7.899 1.00 1.06 C ATOM 387 CE LYS A 801 -4.804 2.656 -9.197 1.00 1.13 C ATOM 388 NZ LYS A 801 -4.743 4.142 -9.241 1.00 1.95 N ATOM 0 H LYS A 801 -8.185 3.751 -5.160 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.435 2.437 -7.344 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.975 1.983 -5.660 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.484 0.767 -6.815 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.393 2.479 -8.634 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.844 3.670 -7.472 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.799 2.470 -7.058 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.380 1.046 -7.898 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -3.799 2.251 -9.315 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -5.395 2.295 -10.039 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.294 4.445 -10.129 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.706 4.531 -9.190 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -4.186 4.491 -8.435 1.00 1.95 H new ATOM 402 N ILE A 802 -9.767 0.999 -4.404 1.00 0.39 N ATOM 403 CA ILE A 802 -10.545 -0.033 -3.707 1.00 0.52 C ATOM 404 C ILE A 802 -12.025 0.096 -4.070 1.00 0.70 C ATOM 405 O ILE A 802 -12.706 -0.896 -4.341 1.00 1.56 O ATOM 406 CB ILE A 802 -10.393 0.056 -2.162 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.964 -0.285 -1.716 1.00 0.64 C ATOM 408 CG2 ILE A 802 -11.392 -0.854 -1.462 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.547 -1.717 -1.973 1.00 0.71 C ATOM 0 H ILE A 802 -9.238 1.618 -3.790 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.156 -0.999 -4.029 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.601 1.087 -1.876 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.269 0.379 -2.230 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.872 -0.080 -0.649 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -11.264 -0.773 -0.383 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -12.406 -0.557 -1.731 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.223 -1.886 -1.771 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.524 -1.866 -1.626 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -9.214 -2.392 -1.437 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.602 -1.926 -3.041 1.00 0.71 H new ATOM 421 N SER A 803 -12.500 1.330 -4.124 1.00 1.05 N ATOM 422 CA SER A 803 -13.869 1.601 -4.524 1.00 1.14 C ATOM 423 C SER A 803 -14.027 1.385 -6.029 1.00 1.66 C ATOM 424 O SER A 803 -15.040 0.851 -6.487 1.00 2.28 O ATOM 425 CB SER A 803 -14.252 3.037 -4.149 1.00 2.03 C ATOM 426 OG SER A 803 -15.654 3.243 -4.225 1.00 2.88 O ATOM 0 H SER A 803 -11.955 2.161 -3.895 1.00 1.05 H new ATOM 0 HA SER A 803 -14.534 0.914 -4.000 1.00 1.14 H new ATOM 0 HB2 SER A 803 -13.907 3.254 -3.138 1.00 2.03 H new ATOM 0 HB3 SER A 803 -13.745 3.735 -4.815 1.00 2.03 H new ATOM 0 HG SER A 803 -15.863 4.168 -3.978 1.00 2.88 H new ATOM 432 N ASN A 804 -13.022 1.814 -6.789 1.00 2.33 N ATOM 433 CA ASN A 804 -13.041 1.725 -8.249 1.00 3.40 C ATOM 434 C ASN A 804 -12.744 0.301 -8.730 1.00 3.88 C ATOM 435 O ASN A 804 -11.809 0.065 -9.500 1.00 4.66 O ATOM 436 CB ASN A 804 -12.034 2.709 -8.848 1.00 4.12 C ATOM 437 CG ASN A 804 -12.131 2.850 -10.362 1.00 4.56 C ATOM 438 OD1 ASN A 804 -13.288 2.547 -10.937 1.00 5.02 O flip ATOM 439 ND2 ASN A 804 -11.172 3.273 -11.008 1.00 4.87 N flip ATOM 0 H ASN A 804 -12.172 2.233 -6.412 1.00 2.33 H new ATOM 0 HA ASN A 804 -14.043 1.986 -8.588 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -12.183 3.688 -8.392 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -11.026 2.386 -8.587 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -10.297 3.496 -10.534 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -11.253 3.400 -12.017 1.00 4.87 H new ATOM 446 N THR A 805 -13.581 -0.631 -8.314 1.00 3.74 N ATOM 447 CA THR A 805 -13.481 -2.016 -8.741 1.00 4.53 C ATOM 448 C THR A 805 -14.640 -2.809 -8.150 1.00 4.65 C ATOM 449 O THR A 805 -15.343 -3.525 -8.862 1.00 5.32 O ATOM 450 CB THR A 805 -12.124 -2.665 -8.361 1.00 4.91 C ATOM 451 OG1 THR A 805 -12.067 -4.008 -8.852 1.00 5.49 O ATOM 452 CG2 THR A 805 -11.888 -2.666 -6.856 1.00 4.80 C ATOM 0 H THR A 805 -14.351 -0.450 -7.670 1.00 3.74 H new ATOM 0 HA THR A 805 -13.534 -2.033 -9.830 1.00 4.53 H new ATOM 0 HB THR A 805 -11.340 -2.064 -8.822 1.00 4.91 H new ATOM 0 HG1 THR A 805 -11.206 -4.409 -8.609 1.00 5.49 H new ATOM 0 HG21 THR A 805 -10.926 -3.130 -6.639 1.00 4.80 H new ATOM 0 HG22 THR A 805 -11.888 -1.640 -6.487 1.00 4.80 H new ATOM 0 HG23 THR A 805 -12.681 -3.228 -6.364 1.00 4.80 H new ATOM 460 N HIS A 806 -14.945 -2.526 -6.891 1.00 4.26 N ATOM 461 CA HIS A 806 -16.130 -3.076 -6.260 1.00 4.59 C ATOM 462 C HIS A 806 -17.340 -2.201 -6.580 1.00 4.36 C ATOM 463 O HIS A 806 -17.319 -1.438 -7.546 1.00 4.80 O ATOM 464 CB HIS A 806 -15.919 -3.190 -4.746 1.00 5.01 C ATOM 465 CG HIS A 806 -15.282 -4.482 -4.326 1.00 5.39 C ATOM 466 ND1 HIS A 806 -15.933 -5.694 -4.402 1.00 5.99 N ATOM 467 CD2 HIS A 806 -14.049 -4.752 -3.833 1.00 5.63 C ATOM 468 CE1 HIS A 806 -15.133 -6.652 -3.971 1.00 6.49 C ATOM 469 NE2 HIS A 806 -13.985 -6.108 -3.620 1.00 6.32 N ATOM 0 H HIS A 806 -14.387 -1.919 -6.290 1.00 4.26 H new ATOM 0 HA HIS A 806 -16.315 -4.076 -6.651 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -15.296 -2.361 -4.411 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -16.881 -3.089 -4.244 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -13.264 -4.035 -3.643 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -15.378 -7.702 -3.916 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -13.179 -6.612 -3.250 1.00 6.32 H new ATOM 478 N ASN A 807 -18.361 -2.257 -5.743 1.00 4.08 N ATOM 479 CA ASN A 807 -19.540 -1.425 -5.935 1.00 4.33 C ATOM 480 C ASN A 807 -19.475 -0.205 -5.029 1.00 3.86 C ATOM 481 O ASN A 807 -19.436 0.932 -5.503 1.00 4.10 O ATOM 482 CB ASN A 807 -20.814 -2.228 -5.665 1.00 4.87 C ATOM 483 CG ASN A 807 -22.064 -1.377 -5.732 1.00 5.24 C ATOM 484 OD1 ASN A 807 -22.327 -0.714 -6.735 1.00 5.49 O ATOM 485 ND2 ASN A 807 -22.854 -1.407 -4.673 1.00 5.72 N ATOM 0 H ASN A 807 -18.400 -2.867 -4.926 1.00 4.08 H new ATOM 0 HA ASN A 807 -19.563 -1.088 -6.971 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -20.890 -3.037 -6.392 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -20.746 -2.690 -4.680 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -23.719 -0.867 -4.667 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -22.598 -1.970 -3.862 1.00 5.72 H new ATOM 492 N ASN A 808 -19.307 -0.457 -3.739 1.00 3.63 N ATOM 493 CA ASN A 808 -19.096 0.612 -2.774 1.00 3.49 C ATOM 494 C ASN A 808 -17.717 0.469 -2.152 1.00 2.65 C ATOM 495 O ASN A 808 -17.102 -0.597 -2.260 1.00 3.08 O ATOM 496 CB ASN A 808 -20.201 0.633 -1.695 1.00 4.33 C ATOM 497 CG ASN A 808 -20.321 -0.639 -0.851 1.00 4.99 C ATOM 498 OD1 ASN A 808 -19.389 -1.573 -0.983 1.00 5.77 O flip ATOM 499 ND2 ASN A 808 -21.248 -0.766 -0.053 1.00 5.03 N flip ATOM 0 H ASN A 808 -19.313 -1.394 -3.336 1.00 3.63 H new ATOM 0 HA ASN A 808 -19.151 1.567 -3.296 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -20.017 1.475 -1.028 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -21.158 0.816 -2.183 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -21.953 -0.034 0.031 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -21.312 -1.604 0.525 1.00 5.03 H new ATOM 506 N ASN A 809 -17.199 1.549 -1.591 1.00 1.96 N ATOM 507 CA ASN A 809 -15.858 1.542 -1.024 1.00 1.56 C ATOM 508 C ASN A 809 -15.771 0.531 0.113 1.00 1.72 C ATOM 509 O ASN A 809 -16.454 0.663 1.129 1.00 2.42 O ATOM 510 CB ASN A 809 -15.489 2.935 -0.507 1.00 1.91 C ATOM 511 CG ASN A 809 -13.995 3.114 -0.297 1.00 2.28 C ATOM 512 OD1 ASN A 809 -13.344 2.326 0.396 1.00 3.06 O ATOM 513 ND2 ASN A 809 -13.446 4.167 -0.880 1.00 2.55 N ATOM 0 H ASN A 809 -17.685 2.442 -1.515 1.00 1.96 H new ATOM 0 HA ASN A 809 -15.155 1.258 -1.807 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -15.843 3.685 -1.215 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -16.007 3.116 0.435 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -12.450 4.352 -0.765 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -14.019 4.794 -1.445 1.00 2.55 H new ATOM 520 N ILE A 810 -14.961 -0.496 -0.084 1.00 1.83 N ATOM 521 CA ILE A 810 -14.798 -1.543 0.914 1.00 2.18 C ATOM 522 C ILE A 810 -13.873 -1.074 2.030 1.00 1.94 C ATOM 523 O ILE A 810 -14.144 -1.313 3.209 1.00 2.25 O ATOM 524 CB ILE A 810 -14.243 -2.840 0.282 1.00 2.63 C ATOM 525 CG1 ILE A 810 -15.221 -3.375 -0.769 1.00 3.05 C ATOM 526 CG2 ILE A 810 -13.970 -3.896 1.347 1.00 3.04 C ATOM 527 CD1 ILE A 810 -16.605 -3.661 -0.224 1.00 3.44 C ATOM 0 H ILE A 810 -14.404 -0.628 -0.928 1.00 1.83 H new ATOM 0 HA ILE A 810 -15.782 -1.760 1.331 1.00 2.18 H new ATOM 0 HB ILE A 810 -13.297 -2.605 -0.205 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -15.302 -2.650 -1.579 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -14.813 -4.290 -1.199 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -13.580 -4.797 0.874 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -13.238 -3.514 2.059 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -14.896 -4.132 1.871 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -17.241 -4.036 -1.026 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -16.538 -4.409 0.566 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -17.034 -2.744 0.180 1.00 3.44 H new ATOM 539 N SER A 811 -12.798 -0.382 1.640 1.00 1.61 N ATOM 540 CA SER A 811 -11.796 0.123 2.580 1.00 1.34 C ATOM 541 C SER A 811 -10.999 -1.030 3.201 1.00 1.12 C ATOM 542 O SER A 811 -11.517 -2.133 3.387 1.00 1.24 O ATOM 543 CB SER A 811 -12.457 0.970 3.680 1.00 1.36 C ATOM 544 OG SER A 811 -13.267 1.995 3.115 1.00 1.89 O ATOM 0 H SER A 811 -12.599 -0.157 0.665 1.00 1.61 H new ATOM 0 HA SER A 811 -11.105 0.757 2.024 1.00 1.34 H new ATOM 0 HB2 SER A 811 -13.066 0.331 4.320 1.00 1.36 H new ATOM 0 HB3 SER A 811 -11.689 1.415 4.312 1.00 1.36 H new ATOM 0 HG SER A 811 -13.108 2.042 2.149 1.00 1.89 H new ATOM 550 N PRO A 812 -9.723 -0.796 3.540 1.00 0.88 N ATOM 551 CA PRO A 812 -8.885 -1.814 4.166 1.00 0.80 C ATOM 552 C PRO A 812 -9.217 -1.994 5.636 1.00 0.77 C ATOM 553 O PRO A 812 -8.478 -2.642 6.378 1.00 0.82 O ATOM 554 CB PRO A 812 -7.472 -1.261 3.992 1.00 0.77 C ATOM 555 CG PRO A 812 -7.642 0.218 3.963 1.00 0.75 C ATOM 556 CD PRO A 812 -9.006 0.481 3.374 1.00 0.82 C ATOM 0 HA PRO A 812 -9.023 -2.799 3.720 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.823 -1.568 4.812 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.016 -1.625 3.071 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -7.565 0.637 4.966 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -6.863 0.686 3.362 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -9.514 1.294 3.893 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.938 0.766 2.324 1.00 0.82 H new ATOM 564 N ILE A 813 -10.343 -1.412 6.033 1.00 0.87 N ATOM 565 CA ILE A 813 -10.825 -1.444 7.411 1.00 0.96 C ATOM 566 C ILE A 813 -9.950 -0.562 8.302 1.00 0.96 C ATOM 567 O ILE A 813 -10.444 0.349 8.968 1.00 1.64 O ATOM 568 CB ILE A 813 -10.856 -2.887 7.970 1.00 1.06 C ATOM 569 CG1 ILE A 813 -11.773 -3.776 7.119 1.00 1.46 C ATOM 570 CG2 ILE A 813 -11.295 -2.902 9.428 1.00 1.22 C ATOM 571 CD1 ILE A 813 -13.213 -3.307 7.068 1.00 1.67 C ATOM 0 H ILE A 813 -10.955 -0.898 5.400 1.00 0.87 H new ATOM 0 HA ILE A 813 -11.845 -1.059 7.411 1.00 0.96 H new ATOM 0 HB ILE A 813 -9.844 -3.288 7.921 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -11.380 -3.819 6.103 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -11.746 -4.791 7.514 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -11.307 -3.929 9.794 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -10.598 -2.313 10.024 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -12.294 -2.475 9.511 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -13.796 -3.988 6.447 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -13.627 -3.291 8.076 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -13.254 -2.304 6.643 1.00 1.67 H new ATOM 583 N THR A 814 -8.647 -0.816 8.264 1.00 0.83 N ATOM 584 CA THR A 814 -7.667 -0.067 9.033 1.00 0.84 C ATOM 585 C THR A 814 -6.278 -0.669 8.818 1.00 0.71 C ATOM 586 O THR A 814 -5.294 0.049 8.636 1.00 1.08 O ATOM 587 CB THR A 814 -8.017 -0.063 10.543 1.00 1.10 C ATOM 588 OG1 THR A 814 -6.946 0.498 11.315 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.326 -1.472 11.028 1.00 1.90 C ATOM 0 H THR A 814 -8.240 -1.556 7.692 1.00 0.83 H new ATOM 0 HA THR A 814 -7.677 0.966 8.686 1.00 0.84 H new ATOM 0 HB THR A 814 -8.904 0.556 10.678 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.242 0.625 12.241 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.569 -1.446 12.090 1.00 1.90 H new ATOM 0 HG22 THR A 814 -9.174 -1.871 10.471 1.00 1.90 H new ATOM 0 HG23 THR A 814 -7.456 -2.110 10.870 1.00 1.90 H new ATOM 597 N LYS A 815 -6.215 -1.998 8.816 1.00 0.61 N ATOM 598 CA LYS A 815 -4.962 -2.712 8.634 1.00 0.82 C ATOM 599 C LYS A 815 -4.649 -2.933 7.162 1.00 0.88 C ATOM 600 O LYS A 815 -5.540 -3.221 6.362 1.00 1.68 O ATOM 601 CB LYS A 815 -5.005 -4.055 9.360 1.00 1.16 C ATOM 602 CG LYS A 815 -4.171 -4.103 10.632 1.00 1.29 C ATOM 603 CD LYS A 815 -4.777 -3.289 11.771 1.00 1.45 C ATOM 604 CE LYS A 815 -4.460 -1.811 11.644 1.00 1.74 C ATOM 605 NZ LYS A 815 -4.993 -1.020 12.780 1.00 2.52 N ATOM 0 H LYS A 815 -7.027 -2.603 8.940 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.170 -2.095 9.059 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.040 -4.288 9.609 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -4.657 -4.834 8.681 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -4.063 -5.140 10.951 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -3.170 -3.729 10.418 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -5.858 -3.428 11.781 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -4.399 -3.660 12.723 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -3.380 -1.677 11.587 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -4.878 -1.431 10.712 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -5.711 -0.353 12.432 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -5.425 -1.660 13.477 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -4.218 -0.492 13.229 1.00 2.52 H new ATOM 619 N ILE A 816 -3.365 -2.879 6.839 1.00 0.43 N ATOM 620 CA ILE A 816 -2.887 -3.140 5.493 1.00 0.34 C ATOM 621 C ILE A 816 -1.524 -3.809 5.550 1.00 0.30 C ATOM 622 O ILE A 816 -0.730 -3.550 6.454 1.00 0.33 O ATOM 623 CB ILE A 816 -2.748 -1.856 4.645 1.00 0.39 C ATOM 624 CG1 ILE A 816 -1.969 -0.781 5.410 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.108 -1.332 4.217 1.00 0.55 C ATOM 626 CD1 ILE A 816 -1.757 0.500 4.627 1.00 1.06 C ATOM 0 H ILE A 816 -2.626 -2.653 7.505 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.630 -3.784 5.023 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.188 -2.109 3.745 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.502 -0.548 6.332 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -0.998 -1.185 5.696 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -3.979 -0.428 3.622 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.618 -2.089 3.621 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -4.704 -1.103 5.100 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.198 1.211 5.236 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.197 0.282 3.718 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -2.724 0.929 4.363 1.00 1.06 H new ATOM 638 N LYS A 817 -1.215 -4.572 4.525 1.00 0.26 N ATOM 639 CA LYS A 817 0.095 -5.170 4.383 1.00 0.24 C ATOM 640 C LYS A 817 0.619 -4.824 3.011 1.00 0.23 C ATOM 641 O LYS A 817 -0.168 -4.571 2.106 1.00 0.24 O ATOM 642 CB LYS A 817 0.038 -6.682 4.580 1.00 0.33 C ATOM 643 CG LYS A 817 -0.417 -7.067 5.968 1.00 0.74 C ATOM 644 CD LYS A 817 -0.368 -8.561 6.208 1.00 0.68 C ATOM 645 CE LYS A 817 1.063 -9.040 6.310 1.00 1.18 C ATOM 646 NZ LYS A 817 1.152 -10.483 6.655 1.00 1.35 N ATOM 0 H LYS A 817 -1.862 -4.795 3.769 1.00 0.26 H new ATOM 0 HA LYS A 817 0.764 -4.779 5.149 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -0.640 -7.116 3.845 1.00 0.33 H new ATOM 0 HB3 LYS A 817 1.024 -7.107 4.393 1.00 0.33 H new ATOM 0 HG2 LYS A 817 0.211 -6.565 6.704 1.00 0.74 H new ATOM 0 HG3 LYS A 817 -1.436 -6.712 6.123 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.904 -8.805 7.125 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.874 -9.082 5.395 1.00 0.68 H new ATOM 0 HE2 LYS A 817 1.571 -8.863 5.362 1.00 1.18 H new ATOM 0 HE3 LYS A 817 1.587 -8.455 7.066 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.151 -10.765 6.714 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 0.691 -10.650 7.572 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.676 -11.045 5.921 1.00 1.35 H new ATOM 660 N TYR A 818 1.916 -4.640 2.899 1.00 0.20 N ATOM 661 CA TYR A 818 2.484 -4.121 1.677 1.00 0.19 C ATOM 662 C TYR A 818 3.583 -5.034 1.174 1.00 0.18 C ATOM 663 O TYR A 818 4.211 -5.767 1.939 1.00 0.19 O ATOM 664 CB TYR A 818 3.000 -2.684 1.872 1.00 0.20 C ATOM 665 CG TYR A 818 4.366 -2.563 2.529 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.533 -2.602 1.769 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.489 -2.402 3.902 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.776 -2.481 2.361 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.729 -2.278 4.500 1.00 0.27 C ATOM 670 CZ TYR A 818 6.869 -2.319 3.728 1.00 0.26 C ATOM 671 OH TYR A 818 8.105 -2.193 4.325 1.00 0.30 O ATOM 0 H TYR A 818 2.593 -4.841 3.635 1.00 0.20 H new ATOM 0 HA TYR A 818 1.698 -4.087 0.922 1.00 0.19 H new ATOM 0 HB2 TYR A 818 3.040 -2.196 0.898 1.00 0.20 H new ATOM 0 HB3 TYR A 818 2.276 -2.135 2.475 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.465 -2.729 0.699 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.600 -2.373 4.514 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.670 -2.513 1.756 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.804 -2.149 5.570 1.00 0.27 H new ATOM 0 HH TYR A 818 7.992 -2.085 5.292 1.00 0.30 H new ATOM 681 N GLN A 819 3.674 -5.101 -0.134 1.00 0.17 N ATOM 682 CA GLN A 819 4.575 -6.011 -0.808 1.00 0.19 C ATOM 683 C GLN A 819 5.417 -5.245 -1.798 1.00 0.19 C ATOM 684 O GLN A 819 4.946 -4.286 -2.400 1.00 0.18 O ATOM 685 CB GLN A 819 3.776 -7.105 -1.526 1.00 0.22 C ATOM 686 CG GLN A 819 4.598 -8.010 -2.424 1.00 0.35 C ATOM 687 CD GLN A 819 3.995 -9.393 -2.566 1.00 0.45 C ATOM 688 OE1 GLN A 819 3.485 -9.711 -3.745 1.00 1.08 O flip ATOM 689 NE2 GLN A 819 3.977 -10.168 -1.616 1.00 0.90 N flip ATOM 0 H GLN A 819 3.121 -4.522 -0.766 1.00 0.17 H new ATOM 0 HA GLN A 819 5.228 -6.483 -0.074 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.274 -7.718 -0.778 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.998 -6.632 -2.125 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.687 -7.554 -3.410 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.607 -8.097 -2.020 1.00 0.35 H new ATOM 0 HE21 GLN A 819 4.380 -9.888 -0.722 1.00 0.90 H new ATOM 0 HE22 GLN A 819 3.559 -11.093 -1.720 1.00 0.90 H new ATOM 698 N ASP A 820 6.662 -5.648 -1.938 1.00 0.22 N ATOM 699 CA ASP A 820 7.592 -4.931 -2.784 1.00 0.24 C ATOM 700 C ASP A 820 8.214 -5.879 -3.790 1.00 0.28 C ATOM 701 O ASP A 820 8.423 -7.073 -3.496 1.00 0.38 O ATOM 702 CB ASP A 820 8.691 -4.273 -1.949 1.00 0.31 C ATOM 703 CG ASP A 820 9.587 -5.279 -1.252 1.00 0.96 C ATOM 704 OD1 ASP A 820 9.065 -6.133 -0.506 1.00 1.73 O ATOM 705 OD2 ASP A 820 10.815 -5.235 -1.464 1.00 1.38 O ATOM 0 H ASP A 820 7.054 -6.469 -1.476 1.00 0.22 H new ATOM 0 HA ASP A 820 7.043 -4.151 -3.311 1.00 0.24 H new ATOM 0 HB2 ASP A 820 9.299 -3.638 -2.594 1.00 0.31 H new ATOM 0 HB3 ASP A 820 8.233 -3.624 -1.203 1.00 0.31 H new ATOM 710 N GLU A 821 8.280 -5.387 -5.034 1.00 0.28 N ATOM 711 CA GLU A 821 8.718 -6.167 -6.195 1.00 0.38 C ATOM 712 C GLU A 821 7.880 -7.438 -6.336 1.00 0.85 C ATOM 713 O GLU A 821 8.323 -8.443 -6.901 1.00 0.63 O ATOM 714 CB GLU A 821 10.213 -6.501 -6.091 1.00 1.20 C ATOM 715 CG GLU A 821 10.829 -6.999 -7.393 1.00 1.63 C ATOM 716 CD GLU A 821 10.786 -5.972 -8.507 1.00 2.62 C ATOM 717 OE1 GLU A 821 9.683 -5.472 -8.818 1.00 3.38 O ATOM 718 OE2 GLU A 821 11.853 -5.642 -9.068 1.00 3.04 O ATOM 0 H GLU A 821 8.028 -4.426 -5.263 1.00 0.28 H new ATOM 0 HA GLU A 821 8.570 -5.564 -7.091 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.751 -5.612 -5.763 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.353 -7.260 -5.321 1.00 1.20 H new ATOM 0 HG2 GLU A 821 11.865 -7.284 -7.211 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.303 -7.897 -7.716 1.00 1.63 H new ATOM 725 N ASP A 822 6.662 -7.372 -5.801 1.00 1.90 N ATOM 726 CA ASP A 822 5.726 -8.491 -5.817 1.00 2.86 C ATOM 727 C ASP A 822 6.391 -9.762 -5.285 1.00 2.24 C ATOM 728 O ASP A 822 6.271 -10.836 -5.875 1.00 2.49 O ATOM 729 CB ASP A 822 5.186 -8.712 -7.232 1.00 3.96 C ATOM 730 CG ASP A 822 3.907 -9.520 -7.243 1.00 5.04 C ATOM 731 OD1 ASP A 822 2.939 -9.123 -6.564 1.00 5.63 O ATOM 732 OD2 ASP A 822 3.879 -10.575 -7.904 1.00 5.45 O ATOM 0 H ASP A 822 6.297 -6.537 -5.343 1.00 1.90 H new ATOM 0 HA ASP A 822 4.889 -8.250 -5.162 1.00 2.86 H new ATOM 0 HB2 ASP A 822 5.006 -7.746 -7.704 1.00 3.96 H new ATOM 0 HB3 ASP A 822 5.940 -9.223 -7.830 1.00 3.96 H new ATOM 737 N GLY A 823 7.195 -9.607 -4.239 1.00 1.39 N ATOM 738 CA GLY A 823 7.972 -10.724 -3.747 1.00 0.79 C ATOM 739 C GLY A 823 7.835 -10.954 -2.255 1.00 0.74 C ATOM 740 O GLY A 823 7.843 -12.100 -1.805 1.00 0.91 O ATOM 0 H GLY A 823 7.321 -8.734 -3.728 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.666 -11.628 -4.274 1.00 0.79 H new ATOM 0 HA3 GLY A 823 9.023 -10.557 -3.985 1.00 0.79 H new ATOM 744 N ASP A 824 7.803 -9.884 -1.476 1.00 0.55 N ATOM 745 CA ASP A 824 7.792 -10.020 -0.013 1.00 0.53 C ATOM 746 C ASP A 824 6.658 -9.230 0.615 1.00 0.40 C ATOM 747 O ASP A 824 6.235 -8.216 0.068 1.00 0.32 O ATOM 748 CB ASP A 824 9.136 -9.604 0.587 1.00 0.61 C ATOM 749 CG ASP A 824 10.085 -10.778 0.733 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.773 -11.708 1.508 1.00 1.47 O ATOM 751 OD2 ASP A 824 11.146 -10.785 0.071 1.00 1.42 O ATOM 0 H ASP A 824 7.784 -8.923 -1.817 1.00 0.55 H new ATOM 0 HA ASP A 824 7.626 -11.073 0.213 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.595 -8.844 -0.046 1.00 0.61 H new ATOM 0 HB3 ASP A 824 8.971 -9.149 1.563 1.00 0.61 H new ATOM 756 N PHE A 825 6.115 -9.745 1.718 1.00 0.43 N ATOM 757 CA PHE A 825 4.920 -9.164 2.332 1.00 0.38 C ATOM 758 C PHE A 825 5.186 -8.826 3.796 1.00 0.40 C ATOM 759 O PHE A 825 5.888 -9.543 4.503 1.00 0.47 O ATOM 760 CB PHE A 825 3.736 -10.144 2.246 1.00 0.47 C ATOM 761 CG PHE A 825 2.432 -9.498 1.845 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.342 -8.663 0.739 1.00 0.91 C ATOM 763 CD2 PHE A 825 1.297 -9.710 2.598 1.00 0.55 C ATOM 764 CE1 PHE A 825 1.146 -8.063 0.408 1.00 1.16 C ATOM 765 CE2 PHE A 825 0.098 -9.117 2.268 1.00 0.80 C ATOM 766 CZ PHE A 825 0.043 -8.331 1.042 1.00 1.04 C ATOM 0 H PHE A 825 6.483 -10.563 2.205 1.00 0.43 H new ATOM 0 HA PHE A 825 4.671 -8.252 1.789 1.00 0.38 H new ATOM 0 HB2 PHE A 825 3.978 -10.927 1.528 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.607 -10.628 3.214 1.00 0.47 H new ATOM 0 HD1 PHE A 825 3.217 -8.482 0.133 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.349 -10.354 3.464 1.00 0.55 H new ATOM 0 HE1 PHE A 825 1.125 -7.349 -0.402 1.00 1.16 H new ATOM 0 HE2 PHE A 825 -0.772 -9.231 2.897 1.00 0.80 H new ATOM 0 HZ PHE A 825 -0.904 -7.975 0.664 1.00 1.04 H new ATOM 776 N VAL A 826 4.799 -7.613 4.138 1.00 0.35 N ATOM 777 CA VAL A 826 5.130 -6.976 5.405 1.00 0.39 C ATOM 778 C VAL A 826 4.000 -6.014 5.770 1.00 0.31 C ATOM 779 O VAL A 826 3.204 -5.675 4.903 1.00 0.29 O ATOM 780 CB VAL A 826 6.501 -6.256 5.339 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.657 -5.510 4.032 1.00 1.35 C ATOM 782 CG2 VAL A 826 6.697 -5.306 6.509 1.00 0.95 C ATOM 0 H VAL A 826 4.231 -7.025 3.529 1.00 0.35 H new ATOM 0 HA VAL A 826 5.225 -7.734 6.183 1.00 0.39 H new ATOM 0 HB VAL A 826 7.270 -7.026 5.400 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.627 -5.013 4.010 1.00 1.35 H new ATOM 0 HG12 VAL A 826 6.590 -6.213 3.202 1.00 1.35 H new ATOM 0 HG13 VAL A 826 5.866 -4.766 3.941 1.00 1.35 H new ATOM 0 HG21 VAL A 826 7.670 -4.822 6.425 1.00 0.95 H new ATOM 0 HG22 VAL A 826 5.913 -4.549 6.498 1.00 0.95 H new ATOM 0 HG23 VAL A 826 6.649 -5.865 7.444 1.00 0.95 H new ATOM 792 N VAL A 827 3.760 -5.778 7.050 1.00 0.33 N ATOM 793 CA VAL A 827 2.531 -5.108 7.456 1.00 0.32 C ATOM 794 C VAL A 827 2.834 -3.831 8.221 1.00 0.35 C ATOM 795 O VAL A 827 3.818 -3.742 8.961 1.00 0.40 O ATOM 796 CB VAL A 827 1.670 -6.036 8.349 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.471 -6.540 9.542 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.408 -5.329 8.828 1.00 1.22 C ATOM 0 H VAL A 827 4.385 -6.034 7.814 1.00 0.33 H new ATOM 0 HA VAL A 827 1.980 -4.861 6.549 1.00 0.32 H new ATOM 0 HB VAL A 827 1.374 -6.890 7.740 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.844 -7.189 10.153 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.337 -7.100 9.189 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.806 -5.692 10.140 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.174 -6.007 9.452 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.682 -4.448 9.408 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.188 -5.026 7.967 1.00 1.22 H new ATOM 808 N LEU A 828 2.103 -2.789 7.843 1.00 0.34 N ATOM 809 CA LEU A 828 2.373 -1.443 8.307 1.00 0.38 C ATOM 810 C LEU A 828 1.073 -0.713 8.617 1.00 0.44 C ATOM 811 O LEU A 828 -0.001 -1.104 8.155 1.00 0.48 O ATOM 812 CB LEU A 828 3.225 -0.663 7.266 1.00 0.38 C ATOM 813 CG LEU A 828 2.546 -0.125 5.978 1.00 0.39 C ATOM 814 CD1 LEU A 828 1.675 -1.167 5.300 1.00 1.03 C ATOM 815 CD2 LEU A 828 1.754 1.149 6.245 1.00 0.96 C ATOM 0 H LEU A 828 1.309 -2.858 7.207 1.00 0.34 H new ATOM 0 HA LEU A 828 2.950 -1.504 9.229 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.672 0.188 7.780 1.00 0.38 H new ATOM 0 HB3 LEU A 828 4.042 -1.315 6.958 1.00 0.38 H new ATOM 0 HG LEU A 828 3.355 0.118 5.289 1.00 0.39 H new ATOM 0 HD11 LEU A 828 1.224 -0.738 4.405 1.00 1.03 H new ATOM 0 HD12 LEU A 828 2.285 -2.027 5.023 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.889 -1.486 5.985 1.00 1.03 H new ATOM 0 HD21 LEU A 828 1.295 1.493 5.318 1.00 0.96 H new ATOM 0 HD22 LEU A 828 0.977 0.947 6.982 1.00 0.96 H new ATOM 0 HD23 LEU A 828 2.423 1.920 6.626 1.00 0.96 H new ATOM 827 N GLY A 829 1.170 0.327 9.422 1.00 0.53 N ATOM 828 CA GLY A 829 -0.001 1.097 9.770 1.00 0.63 C ATOM 829 C GLY A 829 0.289 2.153 10.806 1.00 0.73 C ATOM 830 O GLY A 829 -0.452 2.296 11.778 1.00 1.20 O ATOM 0 H GLY A 829 2.040 0.654 9.842 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.399 1.572 8.873 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.774 0.427 10.146 1.00 0.63 H new ATOM 834 N SER A 830 1.380 2.879 10.625 1.00 0.74 N ATOM 835 CA SER A 830 1.754 3.904 11.576 1.00 0.85 C ATOM 836 C SER A 830 2.385 5.094 10.861 1.00 0.98 C ATOM 837 O SER A 830 1.721 6.109 10.632 1.00 1.93 O ATOM 838 CB SER A 830 2.720 3.322 12.615 1.00 0.89 C ATOM 839 OG SER A 830 3.051 4.277 13.608 1.00 1.58 O ATOM 0 H SER A 830 2.016 2.777 9.834 1.00 0.74 H new ATOM 0 HA SER A 830 0.858 4.255 12.088 1.00 0.85 H new ATOM 0 HB2 SER A 830 2.268 2.449 13.085 1.00 0.89 H new ATOM 0 HB3 SER A 830 3.629 2.982 12.118 1.00 0.89 H new ATOM 0 HG SER A 830 3.667 3.875 14.256 1.00 1.58 H new ATOM 845 N ASP A 831 3.627 4.924 10.427 1.00 0.62 N ATOM 846 CA ASP A 831 4.353 5.959 9.693 1.00 0.62 C ATOM 847 C ASP A 831 5.775 5.501 9.425 1.00 0.58 C ATOM 848 O ASP A 831 6.221 5.488 8.283 1.00 0.97 O ATOM 849 CB ASP A 831 4.384 7.276 10.474 1.00 0.86 C ATOM 850 CG ASP A 831 5.199 8.352 9.783 1.00 1.20 C ATOM 851 OD1 ASP A 831 4.869 8.702 8.629 1.00 1.79 O ATOM 852 OD2 ASP A 831 6.185 8.841 10.377 1.00 1.74 O ATOM 0 H ASP A 831 4.161 4.067 10.572 1.00 0.62 H new ATOM 0 HA ASP A 831 3.833 6.128 8.750 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.364 7.634 10.614 1.00 0.86 H new ATOM 0 HB3 ASP A 831 4.798 7.095 11.466 1.00 0.86 H new ATOM 857 N GLU A 832 6.467 5.090 10.483 1.00 0.50 N ATOM 858 CA GLU A 832 7.841 4.613 10.368 1.00 0.44 C ATOM 859 C GLU A 832 7.913 3.424 9.420 1.00 0.34 C ATOM 860 O GLU A 832 8.743 3.386 8.516 1.00 0.34 O ATOM 861 CB GLU A 832 8.387 4.212 11.739 1.00 0.56 C ATOM 862 CG GLU A 832 9.825 3.718 11.702 1.00 1.41 C ATOM 863 CD GLU A 832 10.270 3.108 13.011 1.00 2.19 C ATOM 864 OE1 GLU A 832 10.244 3.816 14.040 1.00 2.93 O ATOM 865 OE2 GLU A 832 10.648 1.920 13.026 1.00 2.62 O ATOM 0 H GLU A 832 6.097 5.078 11.433 1.00 0.50 H new ATOM 0 HA GLU A 832 8.450 5.424 9.969 1.00 0.44 H new ATOM 0 HB2 GLU A 832 8.323 5.068 12.411 1.00 0.56 H new ATOM 0 HB3 GLU A 832 7.754 3.430 12.158 1.00 0.56 H new ATOM 0 HG2 GLU A 832 9.930 2.979 10.908 1.00 1.41 H new ATOM 0 HG3 GLU A 832 10.484 4.550 11.452 1.00 1.41 H new ATOM 872 N ASP A 833 6.975 2.505 9.587 1.00 0.32 N ATOM 873 CA ASP A 833 6.857 1.340 8.717 1.00 0.29 C ATOM 874 C ASP A 833 6.689 1.746 7.251 1.00 0.24 C ATOM 875 O ASP A 833 7.415 1.260 6.377 1.00 0.23 O ATOM 876 CB ASP A 833 5.690 0.443 9.168 1.00 0.38 C ATOM 877 CG ASP A 833 4.467 1.208 9.668 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.358 2.414 9.357 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.626 0.629 10.387 1.00 1.50 O ATOM 0 H ASP A 833 6.274 2.543 10.327 1.00 0.32 H new ATOM 0 HA ASP A 833 7.784 0.773 8.798 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.391 -0.191 8.334 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.040 -0.218 9.961 1.00 0.38 H new ATOM 884 N TRP A 834 5.787 2.682 6.991 1.00 0.22 N ATOM 885 CA TRP A 834 5.583 3.177 5.635 1.00 0.20 C ATOM 886 C TRP A 834 6.821 3.929 5.141 1.00 0.19 C ATOM 887 O TRP A 834 7.221 3.783 3.985 1.00 0.18 O ATOM 888 CB TRP A 834 4.342 4.071 5.560 1.00 0.23 C ATOM 889 CG TRP A 834 4.151 4.716 4.221 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.953 6.043 3.983 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.147 4.072 2.936 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.840 6.266 2.635 1.00 0.26 N ATOM 893 CE2 TRP A 834 3.950 5.077 1.972 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.290 2.745 2.500 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.900 4.807 0.608 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.241 2.483 1.140 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.048 3.509 0.214 1.00 0.19 C ATOM 0 H TRP A 834 5.188 3.112 7.695 1.00 0.22 H new ATOM 0 HA TRP A 834 5.421 2.318 4.983 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.460 3.476 5.797 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.417 4.847 6.321 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.894 6.807 4.744 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.697 7.176 2.197 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.435 1.944 3.210 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.749 5.597 -0.113 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.354 1.467 0.791 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.015 3.270 -0.839 1.00 0.19 H new ATOM 908 N ASN A 835 7.460 4.683 6.033 1.00 0.22 N ATOM 909 CA ASN A 835 8.698 5.383 5.696 1.00 0.25 C ATOM 910 C ASN A 835 9.764 4.391 5.260 1.00 0.21 C ATOM 911 O ASN A 835 10.441 4.602 4.251 1.00 0.21 O ATOM 912 CB ASN A 835 9.213 6.220 6.872 1.00 0.34 C ATOM 913 CG ASN A 835 8.490 7.545 7.008 1.00 1.15 C ATOM 914 OD1 ASN A 835 8.398 8.316 6.052 1.00 1.66 O ATOM 915 ND2 ASN A 835 8.009 7.839 8.201 1.00 2.00 N ATOM 0 H ASN A 835 7.142 4.825 6.992 1.00 0.22 H new ATOM 0 HA ASN A 835 8.477 6.061 4.872 1.00 0.25 H new ATOM 0 HB2 ASN A 835 9.098 5.652 7.795 1.00 0.34 H new ATOM 0 HB3 ASN A 835 10.279 6.404 6.742 1.00 0.34 H new ATOM 0 HD21 ASN A 835 7.541 8.732 8.356 1.00 2.00 H new ATOM 0 HD22 ASN A 835 8.105 7.173 8.968 1.00 2.00 H new ATOM 922 N VAL A 836 9.849 3.275 5.979 1.00 0.22 N ATOM 923 CA VAL A 836 10.770 2.203 5.630 1.00 0.25 C ATOM 924 C VAL A 836 10.467 1.676 4.234 1.00 0.19 C ATOM 925 O VAL A 836 11.370 1.541 3.412 1.00 0.19 O ATOM 926 CB VAL A 836 10.711 1.035 6.644 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.573 -0.132 6.179 1.00 1.36 C ATOM 928 CG2 VAL A 836 11.156 1.501 8.023 1.00 1.22 C ATOM 0 H VAL A 836 9.287 3.091 6.810 1.00 0.22 H new ATOM 0 HA VAL A 836 11.775 2.624 5.655 1.00 0.25 H new ATOM 0 HB VAL A 836 9.677 0.695 6.707 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.515 -0.940 6.908 1.00 1.36 H new ATOM 0 HG12 VAL A 836 11.214 -0.488 5.213 1.00 1.36 H new ATOM 0 HG13 VAL A 836 12.608 0.196 6.082 1.00 1.36 H new ATOM 0 HG21 VAL A 836 11.108 0.666 8.722 1.00 1.22 H new ATOM 0 HG22 VAL A 836 12.180 1.871 7.969 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.499 2.300 8.366 1.00 1.22 H new ATOM 938 N ALA A 837 9.186 1.448 3.946 1.00 0.16 N ATOM 939 CA ALA A 837 8.779 0.987 2.623 1.00 0.15 C ATOM 940 C ALA A 837 9.216 1.966 1.543 1.00 0.15 C ATOM 941 O ALA A 837 9.848 1.575 0.567 1.00 0.19 O ATOM 942 CB ALA A 837 7.275 0.781 2.554 1.00 0.17 C ATOM 0 H ALA A 837 8.419 1.574 4.606 1.00 0.16 H new ATOM 0 HA ALA A 837 9.271 0.030 2.447 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.000 0.437 1.557 1.00 0.17 H new ATOM 0 HB2 ALA A 837 6.976 0.035 3.290 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.769 1.723 2.766 1.00 0.17 H new ATOM 948 N LYS A 838 8.877 3.238 1.721 1.00 0.14 N ATOM 949 CA LYS A 838 9.224 4.259 0.738 1.00 0.19 C ATOM 950 C LYS A 838 10.730 4.331 0.515 1.00 0.20 C ATOM 951 O LYS A 838 11.188 4.348 -0.628 1.00 0.24 O ATOM 952 CB LYS A 838 8.721 5.632 1.171 1.00 0.23 C ATOM 953 CG LYS A 838 7.239 5.678 1.480 1.00 0.23 C ATOM 954 CD LYS A 838 6.702 7.096 1.345 1.00 0.40 C ATOM 955 CE LYS A 838 7.348 8.057 2.334 1.00 0.49 C ATOM 956 NZ LYS A 838 6.978 7.757 3.743 1.00 1.22 N ATOM 0 H LYS A 838 8.365 3.586 2.532 1.00 0.14 H new ATOM 0 HA LYS A 838 8.740 3.974 -0.196 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.275 5.948 2.055 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.939 6.352 0.383 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.701 5.015 0.803 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.062 5.312 2.492 1.00 0.23 H new ATOM 0 HD2 LYS A 838 6.876 7.452 0.330 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.623 7.090 1.500 1.00 0.40 H new ATOM 0 HE2 LYS A 838 8.432 8.008 2.228 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.049 9.077 2.092 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 7.769 8.007 4.370 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 6.138 8.311 4.007 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 6.768 6.743 3.838 1.00 1.22 H new ATOM 970 N GLU A 839 11.494 4.364 1.605 1.00 0.21 N ATOM 971 CA GLU A 839 12.947 4.421 1.513 1.00 0.26 C ATOM 972 C GLU A 839 13.493 3.167 0.847 1.00 0.27 C ATOM 973 O GLU A 839 14.328 3.253 -0.045 1.00 0.31 O ATOM 974 CB GLU A 839 13.581 4.618 2.893 1.00 0.32 C ATOM 975 CG GLU A 839 13.439 6.037 3.420 1.00 0.47 C ATOM 976 CD GLU A 839 14.137 6.251 4.747 1.00 1.34 C ATOM 977 OE1 GLU A 839 15.322 5.874 4.867 1.00 2.22 O ATOM 978 OE2 GLU A 839 13.496 6.761 5.690 1.00 1.85 O ATOM 0 H GLU A 839 11.130 4.352 2.558 1.00 0.21 H new ATOM 0 HA GLU A 839 13.210 5.281 0.897 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.120 3.927 3.599 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.639 4.361 2.840 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.845 6.733 2.686 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.381 6.273 3.531 1.00 0.47 H new ATOM 985 N MET A 840 12.940 2.020 1.214 1.00 0.27 N ATOM 986 CA MET A 840 13.302 0.749 0.596 1.00 0.31 C ATOM 987 C MET A 840 13.091 0.805 -0.919 1.00 0.34 C ATOM 988 O MET A 840 14.015 0.548 -1.691 1.00 0.40 O ATOM 989 CB MET A 840 12.474 -0.383 1.225 1.00 0.32 C ATOM 990 CG MET A 840 12.544 -1.713 0.489 1.00 0.36 C ATOM 991 SD MET A 840 11.276 -1.876 -0.787 1.00 0.76 S ATOM 992 CE MET A 840 9.783 -1.703 0.188 1.00 0.35 C ATOM 0 H MET A 840 12.232 1.942 1.944 1.00 0.27 H new ATOM 0 HA MET A 840 14.359 0.553 0.775 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.811 -0.534 2.250 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.432 -0.067 1.275 1.00 0.32 H new ATOM 0 HG2 MET A 840 13.528 -1.819 0.032 1.00 0.36 H new ATOM 0 HG3 MET A 840 12.437 -2.526 1.207 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.916 -1.939 -0.429 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.821 -2.386 1.037 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.702 -0.678 0.550 1.00 0.35 H new ATOM 1002 N LEU A 841 11.891 1.204 -1.328 1.00 0.30 N ATOM 1003 CA LEU A 841 11.550 1.308 -2.743 1.00 0.35 C ATOM 1004 C LEU A 841 12.460 2.305 -3.463 1.00 0.39 C ATOM 1005 O LEU A 841 13.114 1.972 -4.457 1.00 0.50 O ATOM 1006 CB LEU A 841 10.093 1.775 -2.891 1.00 0.33 C ATOM 1007 CG LEU A 841 9.028 0.853 -2.293 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.734 1.615 -2.063 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.774 -0.331 -3.204 1.00 0.62 C ATOM 0 H LEU A 841 11.134 1.462 -0.695 1.00 0.30 H new ATOM 0 HA LEU A 841 11.683 0.323 -3.191 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.998 2.756 -2.426 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.880 1.903 -3.952 1.00 0.33 H new ATOM 0 HG LEU A 841 9.397 0.485 -1.335 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.988 0.944 -1.637 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.915 2.440 -1.374 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.370 2.008 -3.012 1.00 0.62 H new ATOM 0 HD21 LEU A 841 8.014 -0.974 -2.761 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.428 0.024 -4.175 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.697 -0.896 -3.333 1.00 0.62 H new ATOM 1021 N ALA A 842 12.458 3.539 -2.975 1.00 0.36 N ATOM 1022 CA ALA A 842 13.171 4.631 -3.625 1.00 0.44 C ATOM 1023 C ALA A 842 14.676 4.407 -3.641 1.00 0.52 C ATOM 1024 O ALA A 842 15.333 4.629 -4.659 1.00 0.61 O ATOM 1025 CB ALA A 842 12.835 5.952 -2.946 1.00 0.47 C ATOM 0 H ALA A 842 11.966 3.810 -2.124 1.00 0.36 H new ATOM 0 HA ALA A 842 12.842 4.665 -4.664 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.373 6.762 -3.439 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.763 6.134 -3.015 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.129 5.907 -1.897 1.00 0.47 H new ATOM 1031 N GLU A 843 15.229 4.029 -2.499 1.00 0.53 N ATOM 1032 CA GLU A 843 16.665 3.852 -2.388 1.00 0.66 C ATOM 1033 C GLU A 843 17.136 2.654 -3.200 1.00 0.71 C ATOM 1034 O GLU A 843 18.124 2.749 -3.925 1.00 0.81 O ATOM 1035 CB GLU A 843 17.090 3.691 -0.922 1.00 0.71 C ATOM 1036 CG GLU A 843 18.597 3.733 -0.722 1.00 1.45 C ATOM 1037 CD GLU A 843 19.205 5.059 -1.136 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.452 6.037 -1.333 1.00 2.92 O ATOM 1039 OE2 GLU A 843 20.443 5.133 -1.258 1.00 2.43 O ATOM 0 H GLU A 843 14.708 3.840 -1.643 1.00 0.53 H new ATOM 0 HA GLU A 843 17.135 4.749 -2.790 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.630 4.482 -0.329 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.707 2.744 -0.542 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.826 3.545 0.327 1.00 1.45 H new ATOM 0 HG3 GLU A 843 19.058 2.931 -1.298 1.00 1.45 H new ATOM 1046 N ASN A 844 16.499 1.506 -3.003 1.00 0.67 N ATOM 1047 CA ASN A 844 16.946 0.281 -3.656 1.00 0.80 C ATOM 1048 C ASN A 844 16.702 0.326 -5.160 1.00 0.79 C ATOM 1049 O ASN A 844 17.661 0.298 -5.931 1.00 1.11 O ATOM 1050 CB ASN A 844 16.278 -0.952 -3.046 1.00 0.85 C ATOM 1051 CG ASN A 844 16.677 -1.200 -1.596 1.00 0.97 C ATOM 1052 OD1 ASN A 844 17.469 -0.303 -1.024 1.00 1.53 O flip ATOM 1053 ND2 ASN A 844 16.272 -2.193 -0.994 1.00 1.15 N flip ATOM 0 H ASN A 844 15.681 1.397 -2.404 1.00 0.67 H new ATOM 0 HA ASN A 844 18.021 0.206 -3.489 1.00 0.80 H new ATOM 0 HB2 ASN A 844 15.196 -0.835 -3.103 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.536 -1.828 -3.641 1.00 0.85 H new ATOM 0 HD21 ASN A 844 15.664 -2.862 -1.466 1.00 1.15 H new ATOM 0 HD22 ASN A 844 16.544 -2.347 -0.023 1.00 1.15 H new ATOM 1060 N ASN A 845 15.429 0.511 -5.553 1.00 0.62 N ATOM 1061 CA ASN A 845 15.029 0.640 -6.968 1.00 0.71 C ATOM 1062 C ASN A 845 13.551 0.297 -7.118 1.00 0.61 C ATOM 1063 O ASN A 845 12.892 0.759 -8.051 1.00 0.71 O ATOM 1064 CB ASN A 845 15.861 -0.258 -7.915 1.00 0.92 C ATOM 1065 CG ASN A 845 15.421 -1.713 -7.924 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.405 -2.067 -8.527 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.189 -2.571 -7.272 1.00 1.48 N ATOM 0 H ASN A 845 14.648 0.575 -4.900 1.00 0.62 H new ATOM 0 HA ASN A 845 15.215 1.675 -7.256 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.794 0.138 -8.928 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.909 -0.207 -7.621 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.948 -3.562 -7.257 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.022 -2.241 -6.784 1.00 1.48 H new ATOM 1074 N GLU A 846 13.079 -0.607 -6.259 1.00 0.55 N ATOM 1075 CA GLU A 846 11.719 -1.134 -6.331 1.00 0.63 C ATOM 1076 C GLU A 846 10.667 -0.033 -6.301 1.00 0.73 C ATOM 1077 O GLU A 846 10.930 1.091 -5.880 1.00 1.49 O ATOM 1078 CB GLU A 846 11.473 -2.121 -5.186 1.00 0.77 C ATOM 1079 CG GLU A 846 11.995 -3.525 -5.462 1.00 1.40 C ATOM 1080 CD GLU A 846 13.504 -3.631 -5.379 1.00 2.19 C ATOM 1081 OE1 GLU A 846 14.145 -2.714 -4.829 1.00 2.97 O ATOM 1082 OE2 GLU A 846 14.055 -4.655 -5.840 1.00 2.54 O ATOM 0 H GLU A 846 13.631 -0.994 -5.493 1.00 0.55 H new ATOM 0 HA GLU A 846 11.625 -1.649 -7.287 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.946 -1.739 -4.281 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.402 -2.174 -4.988 1.00 0.77 H new ATOM 0 HG2 GLU A 846 11.549 -4.218 -4.748 1.00 1.40 H new ATOM 0 HG3 GLU A 846 11.670 -3.837 -6.454 1.00 1.40 H new ATOM 1089 N LYS A 847 9.477 -0.362 -6.775 1.00 0.42 N ATOM 1090 CA LYS A 847 8.384 0.597 -6.818 1.00 0.37 C ATOM 1091 C LYS A 847 7.032 -0.113 -6.756 1.00 0.35 C ATOM 1092 O LYS A 847 6.037 0.480 -6.331 1.00 0.44 O ATOM 1093 CB LYS A 847 8.473 1.458 -8.082 1.00 0.44 C ATOM 1094 CG LYS A 847 8.175 2.934 -7.844 1.00 0.63 C ATOM 1095 CD LYS A 847 9.262 3.603 -7.013 1.00 1.29 C ATOM 1096 CE LYS A 847 10.606 3.573 -7.727 1.00 1.80 C ATOM 1097 NZ LYS A 847 11.726 3.937 -6.820 1.00 2.40 N ATOM 0 H LYS A 847 9.242 -1.287 -7.136 1.00 0.42 H new ATOM 0 HA LYS A 847 8.471 1.246 -5.946 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.473 1.363 -8.506 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.774 1.071 -8.824 1.00 0.44 H new ATOM 0 HG2 LYS A 847 8.083 3.445 -8.802 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.216 3.034 -7.336 1.00 0.63 H new ATOM 0 HD2 LYS A 847 8.981 4.636 -6.807 1.00 1.29 H new ATOM 0 HD3 LYS A 847 9.348 3.099 -6.051 1.00 1.29 H new ATOM 0 HE2 LYS A 847 10.778 2.577 -8.134 1.00 1.80 H new ATOM 0 HE3 LYS A 847 10.584 4.263 -8.571 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 12.598 4.053 -7.375 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 11.503 4.829 -6.334 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 11.861 3.184 -6.116 1.00 2.40 H new ATOM 1111 N PHE A 848 6.988 -1.373 -7.198 1.00 0.32 N ATOM 1112 CA PHE A 848 5.747 -2.140 -7.171 1.00 0.30 C ATOM 1113 C PHE A 848 5.317 -2.382 -5.739 1.00 0.24 C ATOM 1114 O PHE A 848 6.106 -2.864 -4.921 1.00 0.21 O ATOM 1115 CB PHE A 848 5.893 -3.490 -7.874 1.00 0.31 C ATOM 1116 CG PHE A 848 4.574 -4.053 -8.344 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.001 -3.663 -9.555 1.00 0.46 C ATOM 1118 CD2 PHE A 848 3.912 -4.996 -7.574 1.00 0.35 C ATOM 1119 CE1 PHE A 848 2.800 -4.205 -9.971 1.00 0.54 C ATOM 1120 CE2 PHE A 848 2.712 -5.539 -7.990 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.128 -5.040 -9.232 1.00 0.52 C ATOM 0 H PHE A 848 7.791 -1.877 -7.575 1.00 0.32 H new ATOM 0 HA PHE A 848 4.996 -1.554 -7.701 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.560 -3.379 -8.729 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.363 -4.200 -7.193 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.501 -2.931 -10.173 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.341 -5.311 -6.634 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.407 -3.928 -10.938 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.221 -6.309 -7.414 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.143 -5.362 -9.536 1.00 0.52 H new ATOM 1131 N LEU A 849 4.058 -2.108 -5.462 1.00 0.22 N ATOM 1132 CA LEU A 849 3.520 -2.306 -4.139 1.00 0.18 C ATOM 1133 C LEU A 849 2.240 -3.130 -4.206 1.00 0.17 C ATOM 1134 O LEU A 849 1.451 -3.020 -5.143 1.00 0.19 O ATOM 1135 CB LEU A 849 3.248 -0.957 -3.465 1.00 0.20 C ATOM 1136 CG LEU A 849 3.215 -0.988 -1.937 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.562 -1.422 -1.384 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.843 0.376 -1.393 1.00 0.55 C ATOM 0 H LEU A 849 3.389 -1.746 -6.142 1.00 0.22 H new ATOM 0 HA LEU A 849 4.254 -2.849 -3.544 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.014 -0.250 -3.782 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.293 -0.575 -3.825 1.00 0.20 H new ATOM 0 HG LEU A 849 2.462 -1.710 -1.623 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.520 -1.438 -0.295 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.803 -2.419 -1.753 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.331 -0.720 -1.707 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.823 0.340 -0.304 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.579 1.111 -1.719 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.858 0.660 -1.765 1.00 0.55 H new ATOM 1150 N ASN A 850 2.046 -3.950 -3.207 1.00 0.16 N ATOM 1151 CA ASN A 850 0.855 -4.772 -3.098 1.00 0.17 C ATOM 1152 C ASN A 850 0.268 -4.558 -1.723 1.00 0.17 C ATOM 1153 O ASN A 850 1.000 -4.235 -0.794 1.00 0.16 O ATOM 1154 CB ASN A 850 1.193 -6.249 -3.287 1.00 0.19 C ATOM 1155 CG ASN A 850 1.596 -6.590 -4.703 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.756 -6.704 -5.586 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.889 -6.744 -4.934 1.00 0.45 N ATOM 0 H ASN A 850 2.708 -4.072 -2.440 1.00 0.16 H new ATOM 0 HA ASN A 850 0.143 -4.490 -3.873 1.00 0.17 H new ATOM 0 HB2 ASN A 850 2.004 -6.519 -2.610 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.329 -6.852 -3.007 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.216 -6.966 -5.874 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.559 -6.641 -4.172 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.046 -4.583 -1.621 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.701 -4.218 -0.376 1.00 0.21 C ATOM 1166 C ILE A 851 -2.663 -5.305 0.049 1.00 0.24 C ATOM 1167 O ILE A 851 -3.535 -5.708 -0.717 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.520 -2.912 -0.497 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.031 -2.030 -1.649 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.482 -2.133 0.805 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.645 -1.438 -1.455 1.00 0.28 C ATOM 0 H ILE A 851 -1.678 -4.849 -2.376 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.903 -4.078 0.354 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.549 -3.200 -0.713 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.034 -2.620 -2.566 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.742 -1.216 -1.792 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.064 -1.218 0.699 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.904 -2.741 1.605 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.450 -1.880 1.048 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.385 -0.829 -2.321 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.637 -0.817 -0.559 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.082 -2.243 -1.345 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.545 -5.731 1.289 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.472 -6.686 1.833 1.00 0.37 C ATOM 1185 C ARG A 852 -4.403 -6.016 2.816 1.00 0.39 C ATOM 1186 O ARG A 852 -3.962 -5.536 3.860 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.758 -7.821 2.533 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.703 -8.873 3.099 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.968 -10.157 3.423 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.814 -11.131 4.109 1.00 1.27 N ATOM 1191 CZ ARG A 852 -3.539 -12.434 4.161 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -2.606 -12.945 3.368 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -4.240 -13.229 4.953 1.00 2.38 N ATOM 0 H ARG A 852 -1.815 -5.428 1.934 1.00 0.30 H new ATOM 0 HA ARG A 852 -4.041 -7.092 0.997 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -2.074 -8.298 1.831 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.152 -7.415 3.343 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.181 -8.488 4.000 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -4.496 -9.077 2.380 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -2.589 -10.597 2.501 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -2.104 -9.929 4.047 1.00 0.70 H new ATOM 0 HE ARG A 852 -4.659 -10.796 4.572 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -2.101 -12.341 2.720 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -2.394 -13.942 3.406 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -4.992 -12.845 5.525 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -4.028 -14.226 4.992 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.686 -6.149 2.578 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.667 -5.740 3.553 1.00 0.54 C ATOM 1209 C LEU A 853 -7.491 -6.945 3.943 1.00 0.63 C ATOM 1210 O LEU A 853 -7.655 -7.869 3.144 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.551 -4.569 3.078 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.845 -4.420 1.571 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.591 -4.057 0.785 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -8.507 -5.667 1.003 1.00 1.56 C ATOM 0 H LEU A 853 -6.074 -6.537 1.718 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.140 -5.353 4.425 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.508 -4.648 3.594 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -7.082 -3.644 3.415 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.549 -3.595 1.464 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.839 -3.961 -0.272 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -6.193 -3.111 1.152 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -5.843 -4.839 0.912 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -8.699 -5.525 -0.061 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -7.848 -6.524 1.141 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -9.449 -5.847 1.521 1.00 1.56 H new ATOM 1226 N TYR A 854 -7.763 -7.063 5.222 1.00 0.99 N ATOM 1227 CA TYR A 854 -8.313 -8.289 5.753 1.00 1.08 C ATOM 1228 C TYR A 854 -9.167 -7.995 6.975 1.00 1.25 C ATOM 1229 O TYR A 854 -10.022 -8.837 7.318 1.00 1.67 O ATOM 1230 CB TYR A 854 -7.165 -9.253 6.091 1.00 0.91 C ATOM 1231 CG TYR A 854 -6.119 -8.655 7.007 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -6.287 -8.641 8.385 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -4.958 -8.111 6.481 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -5.324 -8.097 9.212 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -3.992 -7.568 7.298 1.00 0.86 C ATOM 1236 CZ TYR A 854 -4.178 -7.562 8.663 1.00 0.79 C ATOM 1237 OH TYR A 854 -3.207 -7.028 9.481 1.00 0.92 O ATOM 1238 OXT TYR A 854 -8.990 -6.911 7.572 1.00 1.77 O ATOM 0 H TYR A 854 -7.613 -6.327 5.913 1.00 0.99 H new ATOM 0 HA TYR A 854 -8.955 -8.759 5.008 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -7.578 -10.146 6.560 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -6.685 -9.572 5.166 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -7.183 -9.061 8.816 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -4.808 -8.113 5.411 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -5.468 -8.091 10.282 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -3.093 -7.149 6.871 1.00 0.86 H new ATOM 0 HH TYR A 854 -2.465 -6.695 8.934 1.00 0.92 H new TER 1248 TYR A 854