USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 835 ASN : amide:sc= 0.363 K(o=1.3,f=0.75) USER MOD Set 1.2: A 838 LYS NZ :NH3+ -159:sc= 0.902 (180deg=0.76) USER MOD Set 2.1: A 782 THR OG1 : rot 180:sc= -0.0721 USER MOD Set 2.2: A 850 ASN : amide:sc= -1.92 K(o=-2,f=1.4) USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -6.8! C(o=-6.8!,f=-6!) USER MOD Single : A 796 MET CE :methyl -163:sc=-0.00712 (180deg=-0.534) USER MOD Single : A 799 ASN : amide:sc= -4.38! C(o=-4.4!,f=-3.6!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : A 815 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.133) USER MOD Single : A 817 LYS NZ :NH3+ -119:sc= -0.0667 (180deg=-1.13) USER MOD Single : A 818 TYR OH : rot 136:sc= 0.187 USER MOD Single : A 819 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 830 SER OG : rot -17:sc= 0.203 USER MOD Single : A 840 MET CE :methyl 149:sc= -0.13 (180deg=-0.616) USER MOD Single : A 844 ASN : amide:sc= 0.0144 X(o=0.014,f=-0.0015) USER MOD Single : A 845 ASN : amide:sc= -0.0556 K(o=-0.056,f=-2!) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -6.367 4.423 3.273 1.00 0.79 N ATOM 56 CA ILE A 780 -5.711 3.120 3.198 1.00 0.51 C ATOM 57 C ILE A 780 -5.144 2.873 1.802 1.00 0.46 C ATOM 58 O ILE A 780 -5.023 3.798 0.999 1.00 0.53 O ATOM 59 CB ILE A 780 -6.680 1.973 3.554 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.982 2.530 4.136 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.023 1.012 4.535 1.00 0.58 C ATOM 62 CD1 ILE A 780 -9.078 1.493 4.275 1.00 1.22 C ATOM 0 HA ILE A 780 -4.899 3.135 3.925 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.920 1.426 2.642 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.776 2.962 5.115 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -8.338 3.339 3.498 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.718 0.208 4.777 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.124 0.591 4.085 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.756 1.548 5.446 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.970 1.960 4.693 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -9.312 1.077 3.295 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.742 0.695 4.937 1.00 1.22 H new ATOM 74 N PHE A 781 -4.807 1.617 1.517 1.00 0.39 N ATOM 75 CA PHE A 781 -4.261 1.243 0.220 1.00 0.36 C ATOM 76 C PHE A 781 -4.765 -0.139 -0.178 1.00 0.30 C ATOM 77 O PHE A 781 -4.097 -1.147 0.053 1.00 0.35 O ATOM 78 CB PHE A 781 -2.731 1.262 0.258 1.00 0.41 C ATOM 79 CG PHE A 781 -2.102 2.133 -0.795 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.615 3.390 -1.078 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.993 1.694 -1.501 1.00 0.81 C ATOM 82 CE1 PHE A 781 -2.037 4.190 -2.045 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.410 2.490 -2.470 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.933 3.740 -2.741 1.00 0.73 C ATOM 0 H PHE A 781 -4.904 0.841 2.171 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.595 1.967 -0.523 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.407 1.606 1.240 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.362 0.243 0.139 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.477 3.748 -0.536 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.579 0.719 -1.292 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.448 5.166 -2.256 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.453 2.135 -3.014 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.479 4.364 -3.496 1.00 0.73 H new ATOM 94 N THR A 782 -5.956 -0.177 -0.763 1.00 0.28 N ATOM 95 CA THR A 782 -6.564 -1.434 -1.180 1.00 0.29 C ATOM 96 C THR A 782 -6.353 -1.693 -2.664 1.00 0.35 C ATOM 97 O THR A 782 -7.033 -1.111 -3.511 1.00 0.52 O ATOM 98 CB THR A 782 -8.076 -1.449 -0.883 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.411 -0.387 0.019 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.501 -2.782 -0.286 1.00 0.44 C ATOM 0 H THR A 782 -6.520 0.650 -0.959 1.00 0.28 H new ATOM 0 HA THR A 782 -6.074 -2.221 -0.607 1.00 0.29 H new ATOM 0 HB THR A 782 -8.607 -1.307 -1.824 1.00 0.41 H new ATOM 0 HG1 THR A 782 -9.374 -0.404 0.201 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.572 -2.766 -0.086 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.275 -3.584 -0.989 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.960 -2.953 0.645 1.00 0.44 H new ATOM 108 N LEU A 783 -5.410 -2.577 -2.973 1.00 0.40 N ATOM 109 CA LEU A 783 -5.109 -2.930 -4.355 1.00 0.56 C ATOM 110 C LEU A 783 -5.824 -4.217 -4.740 1.00 0.58 C ATOM 111 O LEU A 783 -6.728 -4.665 -4.041 1.00 0.99 O ATOM 112 CB LEU A 783 -3.601 -3.103 -4.553 1.00 0.67 C ATOM 113 CG LEU A 783 -2.720 -2.427 -3.500 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.502 -3.284 -3.204 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.300 -1.042 -3.967 1.00 1.53 C ATOM 0 H LEU A 783 -4.839 -3.064 -2.282 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.458 -2.120 -4.995 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.373 -4.169 -4.564 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.333 -2.710 -5.534 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.297 -2.318 -2.582 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.884 -2.791 -2.453 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.823 -4.256 -2.829 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -0.923 -3.421 -4.117 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.674 -0.576 -3.206 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -1.738 -1.127 -4.897 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -3.186 -0.430 -4.133 1.00 1.53 H new ATOM 127 N LEU A 784 -5.403 -4.816 -5.846 1.00 0.27 N ATOM 128 CA LEU A 784 -5.998 -6.062 -6.311 1.00 0.26 C ATOM 129 C LEU A 784 -4.947 -7.161 -6.353 1.00 0.23 C ATOM 130 O LEU A 784 -4.049 -7.148 -7.195 1.00 0.29 O ATOM 131 CB LEU A 784 -6.624 -5.881 -7.688 1.00 0.31 C ATOM 132 CG LEU A 784 -7.111 -7.168 -8.358 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.584 -7.060 -8.717 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.278 -7.472 -9.593 1.00 0.75 C ATOM 0 H LEU A 784 -4.652 -4.460 -6.438 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.784 -6.349 -5.612 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.467 -5.196 -7.599 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.893 -5.404 -8.342 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.992 -7.990 -7.653 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.911 -7.985 -9.192 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.168 -6.891 -7.812 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.731 -6.227 -9.405 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.637 -8.390 -10.057 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.365 -6.649 -10.302 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.234 -7.595 -9.306 1.00 0.75 H new ATOM 146 N VAL A 785 -5.065 -8.102 -5.431 1.00 0.25 N ATOM 147 CA VAL A 785 -4.126 -9.213 -5.336 1.00 0.30 C ATOM 148 C VAL A 785 -4.717 -10.487 -5.936 1.00 0.34 C ATOM 149 O VAL A 785 -5.926 -10.714 -5.867 1.00 0.55 O ATOM 150 CB VAL A 785 -3.734 -9.472 -3.869 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.777 -10.649 -3.760 1.00 1.11 C ATOM 152 CG2 VAL A 785 -3.121 -8.220 -3.255 1.00 1.18 C ATOM 0 H VAL A 785 -5.807 -8.120 -4.731 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.236 -8.938 -5.902 1.00 0.30 H new ATOM 0 HB VAL A 785 -4.638 -9.723 -3.314 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.516 -10.810 -2.714 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -3.255 -11.545 -4.157 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -1.873 -10.437 -4.331 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -2.849 -8.419 -2.218 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -2.230 -7.938 -3.816 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -3.845 -7.406 -3.291 1.00 1.18 H new ATOM 162 N GLU A 786 -3.857 -11.315 -6.523 1.00 0.38 N ATOM 163 CA GLU A 786 -4.290 -12.568 -7.134 1.00 0.42 C ATOM 164 C GLU A 786 -3.934 -13.759 -6.248 1.00 0.46 C ATOM 165 O GLU A 786 -3.178 -13.624 -5.286 1.00 0.48 O ATOM 166 CB GLU A 786 -3.648 -12.736 -8.514 1.00 0.43 C ATOM 167 CG GLU A 786 -4.529 -13.472 -9.510 1.00 0.56 C ATOM 168 CD GLU A 786 -4.002 -13.386 -10.929 1.00 0.75 C ATOM 169 OE1 GLU A 786 -3.819 -12.255 -11.426 1.00 1.02 O ATOM 170 OE2 GLU A 786 -3.774 -14.449 -11.544 1.00 1.40 O ATOM 0 H GLU A 786 -2.854 -11.140 -6.588 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.374 -12.532 -7.246 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.405 -11.752 -8.915 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.708 -13.277 -8.405 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -4.605 -14.519 -9.217 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.536 -13.057 -9.475 1.00 0.56 H new ATOM 177 N LYS A 787 -4.478 -14.928 -6.585 1.00 0.51 N ATOM 178 CA LYS A 787 -4.210 -16.144 -5.822 1.00 0.57 C ATOM 179 C LYS A 787 -2.961 -16.839 -6.348 1.00 0.60 C ATOM 180 O LYS A 787 -2.996 -18.008 -6.733 1.00 1.07 O ATOM 181 CB LYS A 787 -5.406 -17.097 -5.879 1.00 0.64 C ATOM 182 CG LYS A 787 -6.105 -17.136 -7.229 1.00 1.29 C ATOM 183 CD LYS A 787 -7.402 -16.342 -7.208 1.00 1.49 C ATOM 184 CE LYS A 787 -7.915 -16.069 -8.612 1.00 2.24 C ATOM 185 NZ LYS A 787 -8.990 -15.039 -8.622 1.00 2.85 N ATOM 0 H LYS A 787 -5.105 -15.057 -7.379 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.043 -15.861 -4.783 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.068 -18.102 -5.628 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -6.128 -16.803 -5.117 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -5.442 -16.733 -7.995 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.315 -18.170 -7.502 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -8.156 -16.892 -6.645 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -7.242 -15.397 -6.689 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -7.089 -15.738 -9.242 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -8.295 -16.994 -9.045 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -9.312 -14.883 -9.598 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -9.789 -15.366 -8.042 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -8.621 -14.148 -8.232 1.00 2.85 H new ATOM 199 N VAL A 788 -1.860 -16.102 -6.360 1.00 0.29 N ATOM 200 CA VAL A 788 -0.584 -16.620 -6.836 1.00 0.29 C ATOM 201 C VAL A 788 0.560 -15.718 -6.385 1.00 0.26 C ATOM 202 O VAL A 788 1.697 -16.164 -6.223 1.00 0.29 O ATOM 203 CB VAL A 788 -0.569 -16.731 -8.378 1.00 0.32 C ATOM 204 CG1 VAL A 788 -1.159 -15.477 -9.006 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.842 -16.975 -8.896 1.00 0.33 C ATOM 0 H VAL A 788 -1.825 -15.133 -6.042 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.452 -17.615 -6.410 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.183 -17.585 -8.662 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -1.141 -15.571 -10.092 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.188 -15.351 -8.669 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.571 -14.609 -8.707 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.823 -17.049 -9.983 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.486 -16.147 -8.600 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.228 -17.904 -8.476 1.00 0.33 H new ATOM 215 N TRP A 789 0.240 -14.445 -6.187 1.00 0.21 N ATOM 216 CA TRP A 789 1.223 -13.455 -5.759 1.00 0.18 C ATOM 217 C TRP A 789 2.010 -13.925 -4.542 1.00 0.18 C ATOM 218 O TRP A 789 1.433 -14.235 -3.499 1.00 0.19 O ATOM 219 CB TRP A 789 0.529 -12.138 -5.424 1.00 0.18 C ATOM 220 CG TRP A 789 0.182 -11.324 -6.630 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.188 -11.735 -7.932 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.222 -9.954 -6.639 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.186 -10.700 -8.750 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.444 -9.594 -7.982 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.417 -8.999 -5.640 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.852 -8.313 -8.348 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.823 -7.730 -6.002 1.00 0.28 C ATOM 228 CH2 TRP A 789 -1.037 -7.397 -7.346 1.00 0.30 C ATOM 0 H TRP A 789 -0.700 -14.071 -6.317 1.00 0.21 H new ATOM 0 HA TRP A 789 1.920 -13.314 -6.585 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.382 -12.348 -4.863 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.176 -11.551 -4.773 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.449 -12.728 -8.268 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.260 -10.746 -9.766 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.253 -9.248 -4.602 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -1.016 -8.052 -9.383 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.978 -6.983 -5.238 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.355 -6.396 -7.598 1.00 0.30 H new ATOM 239 N ASN A 790 3.329 -13.942 -4.671 1.00 0.18 N ATOM 240 CA ASN A 790 4.196 -14.335 -3.571 1.00 0.20 C ATOM 241 C ASN A 790 4.621 -13.085 -2.805 1.00 0.18 C ATOM 242 O ASN A 790 4.477 -11.975 -3.315 1.00 0.20 O ATOM 243 CB ASN A 790 5.407 -15.118 -4.097 1.00 0.24 C ATOM 244 CG ASN A 790 6.657 -14.275 -4.235 1.00 0.93 C ATOM 245 OD1 ASN A 790 7.502 -14.247 -3.343 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.788 -13.596 -5.370 1.00 0.77 N ATOM 0 H ASN A 790 3.822 -13.688 -5.527 1.00 0.18 H new ATOM 0 HA ASN A 790 3.659 -14.995 -2.890 1.00 0.20 H new ATOM 0 HB2 ASN A 790 5.612 -15.950 -3.424 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.159 -15.547 -5.068 1.00 0.24 H new ATOM 0 HD21 ASN A 790 7.616 -13.022 -5.528 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.061 -13.649 -6.083 1.00 0.77 H new ATOM 253 N PHE A 791 5.112 -13.259 -1.581 1.00 0.20 N ATOM 254 CA PHE A 791 5.524 -12.122 -0.753 1.00 0.20 C ATOM 255 C PHE A 791 6.326 -11.107 -1.561 1.00 0.16 C ATOM 256 O PHE A 791 6.285 -9.908 -1.286 1.00 0.17 O ATOM 257 CB PHE A 791 6.334 -12.609 0.453 1.00 0.26 C ATOM 258 CG PHE A 791 7.025 -11.507 1.208 1.00 0.35 C ATOM 259 CD1 PHE A 791 6.317 -10.699 2.084 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.382 -11.279 1.039 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.950 -9.687 2.778 1.00 0.57 C ATOM 262 CE2 PHE A 791 9.019 -10.268 1.733 1.00 0.59 C ATOM 263 CZ PHE A 791 8.304 -9.472 2.603 1.00 0.63 C ATOM 0 H PHE A 791 5.235 -14.170 -1.139 1.00 0.20 H new ATOM 0 HA PHE A 791 4.623 -11.623 -0.395 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.669 -13.141 1.134 1.00 0.26 H new ATOM 0 HB3 PHE A 791 7.081 -13.326 0.111 1.00 0.26 H new ATOM 0 HD1 PHE A 791 5.259 -10.863 2.225 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.947 -11.898 0.358 1.00 0.47 H new ATOM 0 HE1 PHE A 791 6.387 -9.064 3.457 1.00 0.57 H new ATOM 0 HE2 PHE A 791 10.077 -10.101 1.594 1.00 0.59 H new ATOM 0 HZ PHE A 791 8.801 -8.682 3.147 1.00 0.63 H new ATOM 273 N ASP A 792 7.041 -11.592 -2.567 1.00 0.17 N ATOM 274 CA ASP A 792 7.834 -10.721 -3.423 1.00 0.17 C ATOM 275 C ASP A 792 6.933 -9.991 -4.405 1.00 0.16 C ATOM 276 O ASP A 792 6.881 -8.763 -4.406 1.00 0.19 O ATOM 277 CB ASP A 792 8.888 -11.526 -4.180 1.00 0.22 C ATOM 278 CG ASP A 792 10.052 -10.670 -4.641 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.472 -9.776 -3.876 1.00 1.47 O ATOM 280 OD2 ASP A 792 10.542 -10.894 -5.767 1.00 2.05 O ATOM 0 H ASP A 792 7.088 -12.582 -2.810 1.00 0.17 H new ATOM 0 HA ASP A 792 8.342 -9.989 -2.794 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.260 -12.325 -3.539 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.426 -12.001 -5.045 1.00 0.22 H new ATOM 285 N ASP A 793 6.200 -10.748 -5.226 1.00 0.17 N ATOM 286 CA ASP A 793 5.285 -10.146 -6.189 1.00 0.18 C ATOM 287 C ASP A 793 4.355 -9.186 -5.465 1.00 0.17 C ATOM 288 O ASP A 793 3.793 -8.263 -6.057 1.00 0.24 O ATOM 289 CB ASP A 793 4.473 -11.227 -6.907 1.00 0.19 C ATOM 290 CG ASP A 793 5.070 -11.605 -8.248 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.215 -10.710 -9.107 1.00 1.07 O ATOM 292 OD2 ASP A 793 5.395 -12.796 -8.439 1.00 1.04 O ATOM 0 H ASP A 793 6.224 -11.768 -5.241 1.00 0.17 H new ATOM 0 HA ASP A 793 5.861 -9.600 -6.936 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.415 -12.114 -6.275 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.452 -10.873 -7.054 1.00 0.19 H new ATOM 297 N LEU A 794 4.230 -9.409 -4.162 1.00 0.14 N ATOM 298 CA LEU A 794 3.402 -8.576 -3.306 1.00 0.15 C ATOM 299 C LEU A 794 4.086 -7.238 -3.063 1.00 0.15 C ATOM 300 O LEU A 794 3.708 -6.215 -3.633 1.00 0.17 O ATOM 301 CB LEU A 794 3.169 -9.278 -1.962 1.00 0.19 C ATOM 302 CG LEU A 794 2.207 -8.581 -1.001 1.00 0.26 C ATOM 303 CD1 LEU A 794 2.987 -7.725 -0.030 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.163 -7.752 -1.748 1.00 0.70 C ATOM 0 H LEU A 794 4.699 -10.171 -3.673 1.00 0.14 H new ATOM 0 HA LEU A 794 2.445 -8.408 -3.799 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.791 -10.281 -2.159 1.00 0.19 H new ATOM 0 HB3 LEU A 794 4.131 -9.392 -1.463 1.00 0.19 H new ATOM 0 HG LEU A 794 1.665 -9.346 -0.444 1.00 0.26 H new ATOM 0 HD11 LEU A 794 2.297 -7.230 0.654 1.00 0.93 H new ATOM 0 HD12 LEU A 794 3.673 -8.353 0.538 1.00 0.93 H new ATOM 0 HD13 LEU A 794 3.554 -6.974 -0.581 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.498 -7.272 -1.030 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.663 -6.990 -2.345 1.00 0.70 H new ATOM 0 HD23 LEU A 794 0.582 -8.402 -2.402 1.00 0.70 H new ATOM 316 N ILE A 795 5.097 -7.272 -2.204 1.00 0.19 N ATOM 317 CA ILE A 795 5.866 -6.084 -1.851 1.00 0.22 C ATOM 318 C ILE A 795 6.263 -5.273 -3.083 1.00 0.21 C ATOM 319 O ILE A 795 6.355 -4.051 -3.020 1.00 0.23 O ATOM 320 CB ILE A 795 7.128 -6.468 -1.058 1.00 0.26 C ATOM 321 CG1 ILE A 795 6.750 -6.946 0.348 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.110 -5.304 -0.984 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.040 -5.897 1.179 1.00 0.32 C ATOM 0 H ILE A 795 5.407 -8.122 -1.733 1.00 0.19 H new ATOM 0 HA ILE A 795 5.222 -5.462 -1.229 1.00 0.22 H new ATOM 0 HB ILE A 795 7.621 -7.286 -1.584 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.110 -7.824 0.263 1.00 0.30 H new ATOM 0 HG13 ILE A 795 7.654 -7.260 0.870 1.00 0.30 H new ATOM 0 HG21 ILE A 795 8.991 -5.607 -0.418 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.408 -5.015 -1.992 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.634 -4.457 -0.490 1.00 0.28 H new ATOM 0 HD11 ILE A 795 5.805 -6.308 2.161 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.686 -5.027 1.296 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.118 -5.600 0.679 1.00 0.32 H new ATOM 335 N MET A 796 6.492 -5.953 -4.199 1.00 0.23 N ATOM 336 CA MET A 796 6.876 -5.277 -5.435 1.00 0.26 C ATOM 337 C MET A 796 5.708 -4.477 -6.001 1.00 0.23 C ATOM 338 O MET A 796 5.881 -3.344 -6.450 1.00 0.22 O ATOM 339 CB MET A 796 7.365 -6.292 -6.470 1.00 0.36 C ATOM 340 CG MET A 796 8.596 -7.068 -6.030 1.00 0.46 C ATOM 341 SD MET A 796 9.622 -7.584 -7.419 1.00 0.67 S ATOM 342 CE MET A 796 8.841 -9.135 -7.858 1.00 1.53 C ATOM 0 H MET A 796 6.419 -6.968 -4.276 1.00 0.23 H new ATOM 0 HA MET A 796 7.688 -4.588 -5.204 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.560 -6.995 -6.685 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.589 -5.770 -7.400 1.00 0.36 H new ATOM 0 HG2 MET A 796 9.188 -6.450 -5.355 1.00 0.46 H new ATOM 0 HG3 MET A 796 8.285 -7.948 -5.466 1.00 0.46 H new ATOM 0 HE1 MET A 796 9.517 -9.719 -8.483 1.00 1.53 H new ATOM 0 HE2 MET A 796 8.610 -9.695 -6.952 1.00 1.53 H new ATOM 0 HE3 MET A 796 7.920 -8.936 -8.407 1.00 1.53 H new ATOM 352 N ALA A 797 4.515 -5.068 -5.968 1.00 0.26 N ATOM 353 CA ALA A 797 3.323 -4.397 -6.470 1.00 0.30 C ATOM 354 C ALA A 797 3.031 -3.156 -5.637 1.00 0.28 C ATOM 355 O ALA A 797 2.801 -2.070 -6.174 1.00 0.30 O ATOM 356 CB ALA A 797 2.132 -5.345 -6.455 1.00 0.38 C ATOM 0 H ALA A 797 4.351 -6.005 -5.600 1.00 0.26 H new ATOM 0 HA ALA A 797 3.501 -4.090 -7.501 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.250 -4.828 -6.833 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.345 -6.207 -7.087 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.946 -5.680 -5.434 1.00 0.38 H new ATOM 362 N ILE A 798 3.064 -3.325 -4.321 1.00 0.27 N ATOM 363 CA ILE A 798 2.825 -2.223 -3.403 1.00 0.31 C ATOM 364 C ILE A 798 3.895 -1.154 -3.576 1.00 0.29 C ATOM 365 O ILE A 798 3.591 0.029 -3.726 1.00 0.33 O ATOM 366 CB ILE A 798 2.825 -2.711 -1.944 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.562 -3.522 -1.653 1.00 0.40 C ATOM 368 CG2 ILE A 798 2.939 -1.533 -0.982 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.729 -4.515 -0.524 1.00 0.50 C ATOM 0 H ILE A 798 3.255 -4.218 -3.866 1.00 0.27 H new ATOM 0 HA ILE A 798 1.846 -1.802 -3.633 1.00 0.31 H new ATOM 0 HB ILE A 798 3.691 -3.356 -1.797 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.749 -2.838 -1.408 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.267 -4.057 -2.556 1.00 0.40 H new ATOM 0 HG21 ILE A 798 2.937 -1.900 0.044 1.00 0.42 H new ATOM 0 HG22 ILE A 798 3.868 -0.995 -1.174 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.094 -0.861 -1.128 1.00 0.42 H new ATOM 0 HD11 ILE A 798 0.794 -5.055 -0.373 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.520 -5.222 -0.775 1.00 0.50 H new ATOM 0 HD13 ILE A 798 1.994 -3.985 0.391 1.00 0.50 H new ATOM 381 N ASN A 799 5.150 -1.589 -3.553 1.00 0.25 N ATOM 382 CA ASN A 799 6.284 -0.687 -3.709 1.00 0.29 C ATOM 383 C ASN A 799 6.135 0.177 -4.956 1.00 0.27 C ATOM 384 O ASN A 799 6.575 1.327 -4.982 1.00 0.36 O ATOM 385 CB ASN A 799 7.586 -1.482 -3.785 1.00 0.30 C ATOM 386 CG ASN A 799 8.721 -0.812 -3.038 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.796 -0.587 -3.594 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.490 -0.494 -1.769 1.00 0.78 N ATOM 0 H ASN A 799 5.408 -2.568 -3.427 1.00 0.25 H new ATOM 0 HA ASN A 799 6.311 -0.032 -2.838 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.424 -2.479 -3.374 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.869 -1.610 -4.830 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.219 -0.045 -1.215 1.00 0.78 H new ATOM 0 HD22 ASN A 799 7.584 -0.699 -1.349 1.00 0.78 H new ATOM 395 N SER A 800 5.509 -0.380 -5.987 1.00 0.22 N ATOM 396 CA SER A 800 5.301 0.345 -7.234 1.00 0.25 C ATOM 397 C SER A 800 4.229 1.416 -7.065 1.00 0.28 C ATOM 398 O SER A 800 4.286 2.471 -7.695 1.00 0.33 O ATOM 399 CB SER A 800 4.901 -0.621 -8.351 1.00 0.28 C ATOM 400 OG SER A 800 5.815 -0.558 -9.432 1.00 0.98 O ATOM 0 H SER A 800 5.137 -1.330 -5.983 1.00 0.22 H new ATOM 0 HA SER A 800 6.238 0.831 -7.504 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.864 -1.638 -7.961 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.899 -0.379 -8.704 1.00 0.28 H new ATOM 0 HG SER A 800 5.538 -1.186 -10.132 1.00 0.98 H new ATOM 406 N LYS A 801 3.250 1.134 -6.210 1.00 0.30 N ATOM 407 CA LYS A 801 2.162 2.072 -5.957 1.00 0.37 C ATOM 408 C LYS A 801 2.518 3.049 -4.837 1.00 0.40 C ATOM 409 O LYS A 801 1.759 3.974 -4.548 1.00 0.49 O ATOM 410 CB LYS A 801 0.885 1.311 -5.597 1.00 0.42 C ATOM 411 CG LYS A 801 -0.211 1.430 -6.644 1.00 0.67 C ATOM 412 CD LYS A 801 -0.906 2.779 -6.574 1.00 1.05 C ATOM 413 CE LYS A 801 -1.832 2.991 -7.761 1.00 1.43 C ATOM 414 NZ LYS A 801 -2.100 4.436 -8.008 1.00 2.25 N ATOM 0 H LYS A 801 3.188 0.264 -5.681 1.00 0.30 H new ATOM 0 HA LYS A 801 1.997 2.647 -6.868 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.128 0.258 -5.455 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.507 1.682 -4.644 1.00 0.42 H new ATOM 0 HG2 LYS A 801 0.217 1.291 -7.637 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.942 0.635 -6.498 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -1.478 2.847 -5.648 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.160 3.573 -6.547 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.387 2.547 -8.652 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -2.774 2.473 -7.583 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -2.735 4.537 -8.825 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -2.548 4.855 -7.168 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -1.204 4.927 -8.203 1.00 2.25 H new ATOM 428 N ILE A 802 3.674 2.840 -4.212 1.00 0.39 N ATOM 429 CA ILE A 802 4.120 3.707 -3.126 1.00 0.45 C ATOM 430 C ILE A 802 5.341 4.527 -3.533 1.00 0.50 C ATOM 431 O ILE A 802 5.625 5.569 -2.941 1.00 0.60 O ATOM 432 CB ILE A 802 4.458 2.897 -1.857 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.723 2.070 -2.069 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.289 2.003 -1.470 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.914 2.573 -1.282 1.00 0.75 C ATOM 0 H ILE A 802 4.316 2.081 -4.438 1.00 0.39 H new ATOM 0 HA ILE A 802 3.292 4.382 -2.908 1.00 0.45 H new ATOM 0 HB ILE A 802 4.641 3.595 -1.040 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.523 1.036 -1.788 1.00 0.42 H new ATOM 0 HG13 ILE A 802 5.973 2.069 -3.130 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.544 1.439 -0.573 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.410 2.617 -1.275 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.074 1.312 -2.285 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.777 1.937 -1.482 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.141 3.597 -1.580 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.683 2.548 -0.217 1.00 0.75 H new ATOM 447 N SER A 803 6.061 4.051 -4.545 1.00 0.45 N ATOM 448 CA SER A 803 7.253 4.740 -5.026 1.00 0.53 C ATOM 449 C SER A 803 7.564 4.356 -6.468 1.00 0.61 C ATOM 450 O SER A 803 8.276 3.383 -6.724 1.00 1.19 O ATOM 451 CB SER A 803 8.450 4.418 -4.129 1.00 0.60 C ATOM 452 OG SER A 803 9.146 5.596 -3.763 1.00 1.53 O ATOM 0 H SER A 803 5.839 3.191 -5.047 1.00 0.45 H new ATOM 0 HA SER A 803 7.059 5.812 -4.992 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.108 3.901 -3.233 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.126 3.740 -4.649 1.00 0.60 H new ATOM 0 HG SER A 803 9.905 5.362 -3.189 1.00 1.53 H new ATOM 576 N PRO A 812 11.780 3.522 -0.926 1.00 0.70 N ATOM 577 CA PRO A 812 10.759 2.476 -0.813 1.00 0.66 C ATOM 578 C PRO A 812 10.597 1.975 0.617 1.00 0.62 C ATOM 579 O PRO A 812 11.131 2.564 1.557 1.00 0.73 O ATOM 580 CB PRO A 812 11.292 1.360 -1.713 1.00 0.70 C ATOM 581 CG PRO A 812 12.767 1.559 -1.728 1.00 0.95 C ATOM 582 CD PRO A 812 12.983 3.045 -1.637 1.00 0.77 C ATOM 0 HA PRO A 812 9.772 2.839 -1.100 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.029 0.377 -1.323 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.873 1.427 -2.717 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.239 1.044 -0.892 1.00 0.95 H new ATOM 0 HG3 PRO A 812 13.206 1.155 -2.640 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.895 3.286 -1.091 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.073 3.499 -2.624 1.00 0.77 H new ATOM 590 N ILE A 813 9.855 0.883 0.774 1.00 0.62 N ATOM 591 CA ILE A 813 9.618 0.300 2.088 1.00 0.61 C ATOM 592 C ILE A 813 9.776 -1.216 2.052 1.00 0.59 C ATOM 593 O ILE A 813 10.100 -1.794 1.014 1.00 0.75 O ATOM 594 CB ILE A 813 8.209 0.644 2.608 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.165 0.395 1.517 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.159 2.088 3.082 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.746 0.353 2.036 1.00 1.94 C ATOM 0 H ILE A 813 9.407 0.384 0.005 1.00 0.62 H new ATOM 0 HA ILE A 813 10.361 0.725 2.762 1.00 0.61 H new ATOM 0 HB ILE A 813 7.980 -0.003 3.455 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.245 1.179 0.764 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.389 -0.549 1.020 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.158 2.317 3.447 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.880 2.232 3.887 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.404 2.752 2.253 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.061 0.173 1.208 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.650 -0.449 2.768 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.503 1.305 2.508 1.00 1.94 H new ATOM 609 N THR A 814 9.545 -1.855 3.194 1.00 0.49 N ATOM 610 CA THR A 814 9.659 -3.306 3.300 1.00 0.49 C ATOM 611 C THR A 814 8.585 -3.875 4.220 1.00 0.47 C ATOM 612 O THR A 814 7.693 -4.599 3.776 1.00 0.54 O ATOM 613 CB THR A 814 11.045 -3.722 3.825 1.00 0.53 C ATOM 614 OG1 THR A 814 11.428 -2.882 4.921 1.00 1.16 O ATOM 615 CG2 THR A 814 12.092 -3.633 2.723 1.00 1.07 C ATOM 0 H THR A 814 9.277 -1.390 4.061 1.00 0.49 H new ATOM 0 HA THR A 814 9.524 -3.710 2.297 1.00 0.49 H new ATOM 0 HB THR A 814 10.983 -4.756 4.164 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.310 -3.155 5.250 1.00 1.16 H new ATOM 0 HG21 THR A 814 13.063 -3.932 3.118 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.815 -4.296 1.903 1.00 1.07 H new ATOM 0 HG23 THR A 814 12.149 -2.608 2.357 1.00 1.07 H new ATOM 623 N LYS A 815 8.673 -3.537 5.502 1.00 0.42 N ATOM 624 CA LYS A 815 7.708 -4.009 6.488 1.00 0.42 C ATOM 625 C LYS A 815 6.450 -3.146 6.466 1.00 0.40 C ATOM 626 O LYS A 815 6.531 -1.918 6.519 1.00 0.48 O ATOM 627 CB LYS A 815 8.328 -3.992 7.887 1.00 0.49 C ATOM 628 CG LYS A 815 7.913 -5.172 8.751 1.00 0.89 C ATOM 629 CD LYS A 815 6.704 -4.834 9.612 1.00 1.30 C ATOM 630 CE LYS A 815 7.117 -4.210 10.933 1.00 1.97 C ATOM 631 NZ LYS A 815 6.071 -3.292 11.466 1.00 2.69 N ATOM 0 H LYS A 815 9.404 -2.937 5.883 1.00 0.42 H new ATOM 0 HA LYS A 815 7.432 -5.033 6.234 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.414 -3.985 7.794 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.045 -3.067 8.390 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.681 -6.026 8.115 1.00 0.89 H new ATOM 0 HG3 LYS A 815 8.745 -5.467 9.390 1.00 0.89 H new ATOM 0 HD2 LYS A 815 6.052 -4.147 9.072 1.00 1.30 H new ATOM 0 HD3 LYS A 815 6.126 -5.739 9.801 1.00 1.30 H new ATOM 0 HE2 LYS A 815 7.314 -4.997 11.661 1.00 1.97 H new ATOM 0 HE3 LYS A 815 8.048 -3.660 10.799 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 6.176 -3.208 12.497 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 6.177 -2.354 11.029 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 5.129 -3.673 11.244 1.00 2.69 H new ATOM 645 N ILE A 816 5.291 -3.792 6.383 1.00 0.36 N ATOM 646 CA ILE A 816 4.023 -3.073 6.347 1.00 0.38 C ATOM 647 C ILE A 816 2.919 -3.851 7.056 1.00 0.33 C ATOM 648 O ILE A 816 3.030 -5.058 7.271 1.00 0.37 O ATOM 649 CB ILE A 816 3.580 -2.782 4.901 1.00 0.41 C ATOM 650 CG1 ILE A 816 4.076 -3.878 3.954 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.092 -1.421 4.457 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.181 -5.099 3.921 1.00 0.53 C ATOM 0 H ILE A 816 5.204 -4.807 6.340 1.00 0.36 H new ATOM 0 HA ILE A 816 4.187 -2.130 6.868 1.00 0.38 H new ATOM 0 HB ILE A 816 2.491 -2.771 4.868 1.00 0.41 H new ATOM 0 HG12 ILE A 816 4.155 -3.468 2.947 1.00 0.59 H new ATOM 0 HG13 ILE A 816 5.079 -4.181 4.255 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.772 -1.228 3.433 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.691 -0.649 5.114 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.181 -1.409 4.505 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.593 -5.834 3.230 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.121 -5.533 4.919 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.183 -4.810 3.591 1.00 0.53 H new ATOM 664 N LYS A 817 1.851 -3.143 7.413 1.00 0.32 N ATOM 665 CA LYS A 817 0.713 -3.748 8.094 1.00 0.31 C ATOM 666 C LYS A 817 -0.438 -3.972 7.116 1.00 0.32 C ATOM 667 O LYS A 817 -0.488 -3.349 6.055 1.00 0.59 O ATOM 668 CB LYS A 817 0.254 -2.854 9.248 1.00 0.37 C ATOM 669 CG LYS A 817 1.271 -2.745 10.373 1.00 0.39 C ATOM 670 CD LYS A 817 0.780 -3.433 11.633 1.00 0.38 C ATOM 671 CE LYS A 817 1.462 -2.877 12.874 1.00 0.50 C ATOM 672 NZ LYS A 817 0.937 -3.499 14.121 1.00 0.85 N ATOM 0 H LYS A 817 1.751 -2.143 7.240 1.00 0.32 H new ATOM 0 HA LYS A 817 1.022 -4.713 8.494 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.042 -1.857 8.862 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.680 -3.245 9.650 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.214 -3.191 10.057 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.470 -1.694 10.585 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.299 -3.305 11.722 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.970 -4.504 11.561 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.536 -3.050 12.806 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.315 -1.798 12.917 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 0.514 -2.765 14.724 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.214 -4.207 13.878 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 1.716 -3.961 14.633 1.00 0.85 H new ATOM 686 N TYR A 818 -1.360 -4.863 7.472 1.00 0.23 N ATOM 687 CA TYR A 818 -2.503 -5.155 6.612 1.00 0.22 C ATOM 688 C TYR A 818 -3.753 -5.455 7.434 1.00 0.23 C ATOM 689 O TYR A 818 -3.667 -5.852 8.594 1.00 0.31 O ATOM 690 CB TYR A 818 -2.188 -6.328 5.679 1.00 0.26 C ATOM 691 CG TYR A 818 -2.127 -7.674 6.369 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.087 -7.980 7.237 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.113 -8.630 6.163 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.030 -9.202 7.879 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.064 -9.854 6.804 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.009 -10.157 7.616 1.00 0.56 C ATOM 697 OH TYR A 818 -1.968 -11.353 8.298 1.00 0.71 O ATOM 0 H TYR A 818 -1.339 -5.392 8.344 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.700 -4.269 6.009 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.946 -6.368 4.896 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.233 -6.141 5.189 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.310 -7.251 7.413 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -3.931 -8.414 5.492 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.234 -9.415 8.578 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -3.860 -10.570 6.662 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.870 -11.589 8.600 1.00 0.71 H new ATOM 707 N GLN A 819 -4.913 -5.257 6.817 1.00 0.27 N ATOM 708 CA GLN A 819 -6.188 -5.499 7.472 1.00 0.34 C ATOM 709 C GLN A 819 -6.508 -6.983 7.494 1.00 0.40 C ATOM 710 O GLN A 819 -6.850 -7.575 6.469 1.00 0.45 O ATOM 711 CB GLN A 819 -7.305 -4.732 6.763 1.00 0.44 C ATOM 712 CG GLN A 819 -8.566 -4.584 7.598 1.00 0.56 C ATOM 713 CD GLN A 819 -9.620 -3.734 6.915 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.313 -2.697 6.327 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.871 -4.174 6.988 1.00 1.44 N ATOM 0 H GLN A 819 -4.993 -4.926 5.855 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.115 -5.145 8.500 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.939 -3.741 6.493 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.553 -5.244 5.833 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.979 -5.571 7.805 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.311 -4.137 8.559 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -11.079 -5.039 7.486 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.624 -3.647 6.546 1.00 1.44 H new ATOM 724 N ASP A 820 -6.394 -7.575 8.670 1.00 0.43 N ATOM 725 CA ASP A 820 -6.669 -8.996 8.844 1.00 0.53 C ATOM 726 C ASP A 820 -8.173 -9.248 8.903 1.00 0.62 C ATOM 727 O ASP A 820 -8.970 -8.311 8.865 1.00 0.65 O ATOM 728 CB ASP A 820 -6.001 -9.513 10.119 1.00 0.58 C ATOM 729 CG ASP A 820 -5.479 -10.928 9.966 1.00 1.13 C ATOM 730 OD1 ASP A 820 -4.997 -11.269 8.864 1.00 1.80 O ATOM 731 OD2 ASP A 820 -5.549 -11.697 10.947 1.00 1.34 O ATOM 0 H ASP A 820 -6.112 -7.094 9.524 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.260 -9.532 7.988 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.177 -8.852 10.388 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.717 -9.480 10.940 1.00 0.58 H new ATOM 736 N GLU A 821 -8.553 -10.519 8.986 1.00 0.71 N ATOM 737 CA GLU A 821 -9.962 -10.895 9.041 1.00 0.82 C ATOM 738 C GLU A 821 -10.556 -10.628 10.420 1.00 0.83 C ATOM 739 O GLU A 821 -11.712 -10.962 10.681 1.00 0.97 O ATOM 740 CB GLU A 821 -10.129 -12.372 8.677 1.00 0.96 C ATOM 741 CG GLU A 821 -9.377 -13.315 9.601 1.00 1.10 C ATOM 742 CD GLU A 821 -9.929 -14.726 9.566 1.00 1.30 C ATOM 743 OE1 GLU A 821 -9.530 -15.498 8.668 1.00 1.62 O ATOM 744 OE2 GLU A 821 -10.762 -15.061 10.434 1.00 1.53 O ATOM 0 H GLU A 821 -7.905 -11.306 9.017 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.499 -10.282 8.317 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.189 -12.625 8.698 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -9.784 -12.527 7.655 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.325 -13.333 9.318 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.426 -12.934 10.621 1.00 1.10 H new ATOM 751 N ASP A 822 -9.763 -10.024 11.298 1.00 0.79 N ATOM 752 CA ASP A 822 -10.218 -9.713 12.648 1.00 0.81 C ATOM 753 C ASP A 822 -10.566 -8.232 12.776 1.00 0.73 C ATOM 754 O ASP A 822 -10.685 -7.707 13.882 1.00 0.78 O ATOM 755 CB ASP A 822 -9.143 -10.088 13.670 1.00 0.86 C ATOM 756 CG ASP A 822 -9.196 -11.555 14.052 1.00 1.20 C ATOM 757 OD1 ASP A 822 -9.365 -12.399 13.146 1.00 1.56 O ATOM 758 OD2 ASP A 822 -9.067 -11.861 15.256 1.00 1.65 O ATOM 0 H ASP A 822 -8.804 -9.740 11.100 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.116 -10.297 12.847 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.160 -9.857 13.260 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.267 -9.478 14.564 1.00 0.86 H new ATOM 763 N GLY A 823 -10.726 -7.567 11.635 1.00 0.68 N ATOM 764 CA GLY A 823 -11.060 -6.155 11.638 1.00 0.70 C ATOM 765 C GLY A 823 -10.037 -5.322 12.385 1.00 0.67 C ATOM 766 O GLY A 823 -10.389 -4.525 13.255 1.00 0.88 O ATOM 0 H GLY A 823 -10.630 -7.982 10.708 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.134 -5.799 10.610 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.040 -6.017 12.094 1.00 0.70 H new ATOM 770 N ASP A 824 -8.764 -5.511 12.046 1.00 0.54 N ATOM 771 CA ASP A 824 -7.681 -4.780 12.687 1.00 0.57 C ATOM 772 C ASP A 824 -6.356 -5.066 11.993 1.00 0.55 C ATOM 773 O ASP A 824 -6.023 -6.221 11.720 1.00 0.93 O ATOM 774 CB ASP A 824 -7.584 -5.158 14.168 1.00 0.65 C ATOM 775 CG ASP A 824 -6.918 -4.080 14.998 1.00 1.15 C ATOM 776 OD1 ASP A 824 -7.425 -2.937 15.007 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.887 -4.376 15.638 1.00 1.48 O ATOM 0 H ASP A 824 -8.459 -6.168 11.328 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.896 -3.715 12.606 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.584 -5.347 14.558 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -7.023 -6.087 14.267 1.00 0.65 H new ATOM 782 N PHE A 825 -5.606 -4.010 11.710 1.00 0.42 N ATOM 783 CA PHE A 825 -4.313 -4.143 11.046 1.00 0.37 C ATOM 784 C PHE A 825 -3.357 -4.978 11.891 1.00 0.38 C ATOM 785 O PHE A 825 -3.352 -4.881 13.119 1.00 0.44 O ATOM 786 CB PHE A 825 -3.707 -2.764 10.779 1.00 0.39 C ATOM 787 CG PHE A 825 -4.458 -1.970 9.747 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.415 -2.329 8.410 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.206 -0.863 10.116 1.00 0.59 C ATOM 790 CE1 PHE A 825 -5.104 -1.599 7.460 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.896 -0.129 9.172 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.847 -0.502 7.840 1.00 0.52 C ATOM 0 H PHE A 825 -5.870 -3.049 11.930 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.470 -4.651 10.094 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.681 -2.200 11.712 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.675 -2.887 10.452 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.837 -3.189 8.106 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.250 -0.571 11.155 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -5.060 -1.888 6.420 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.472 0.734 9.472 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.390 0.066 7.099 1.00 0.52 H new ATOM 802 N VAL A 826 -2.548 -5.798 11.228 1.00 0.38 N ATOM 803 CA VAL A 826 -1.588 -6.647 11.922 1.00 0.45 C ATOM 804 C VAL A 826 -0.224 -6.598 11.244 1.00 0.36 C ATOM 805 O VAL A 826 -0.046 -5.908 10.241 1.00 0.31 O ATOM 806 CB VAL A 826 -2.075 -8.108 11.986 1.00 0.54 C ATOM 807 CG1 VAL A 826 -3.087 -8.282 13.105 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.670 -8.531 10.653 1.00 0.79 C ATOM 0 H VAL A 826 -2.538 -5.892 10.212 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.496 -6.262 12.938 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.219 -8.749 12.196 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.420 -9.319 13.136 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.625 -8.021 14.057 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.943 -7.631 12.926 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.008 -9.565 10.717 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.516 -7.887 10.411 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.913 -8.445 9.873 1.00 0.79 H new ATOM 818 N VAL A 827 0.737 -7.326 11.799 1.00 0.37 N ATOM 819 CA VAL A 827 2.086 -7.350 11.248 1.00 0.33 C ATOM 820 C VAL A 827 2.312 -8.586 10.387 1.00 0.30 C ATOM 821 O VAL A 827 2.329 -9.711 10.886 1.00 0.35 O ATOM 822 CB VAL A 827 3.153 -7.315 12.357 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.405 -6.599 11.873 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.603 -6.653 13.614 1.00 0.56 C ATOM 0 H VAL A 827 0.608 -7.906 12.628 1.00 0.37 H new ATOM 0 HA VAL A 827 2.183 -6.457 10.631 1.00 0.33 H new ATOM 0 HB VAL A 827 3.422 -8.342 12.605 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.147 -6.585 12.671 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.812 -7.123 11.008 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.154 -5.576 11.593 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.374 -6.639 14.385 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.301 -5.631 13.385 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.741 -7.215 13.973 1.00 0.56 H new ATOM 834 N LEU A 828 2.486 -8.363 9.088 1.00 0.26 N ATOM 835 CA LEU A 828 2.714 -9.453 8.147 1.00 0.28 C ATOM 836 C LEU A 828 4.170 -9.905 8.183 1.00 0.46 C ATOM 837 O LEU A 828 5.081 -9.116 7.929 1.00 0.60 O ATOM 838 CB LEU A 828 2.338 -9.015 6.731 1.00 0.31 C ATOM 839 CG LEU A 828 2.639 -10.037 5.633 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.356 -10.465 4.938 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.627 -9.465 4.627 1.00 0.81 C ATOM 0 H LEU A 828 2.473 -7.436 8.663 1.00 0.26 H new ATOM 0 HA LEU A 828 2.085 -10.293 8.440 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.273 -8.785 6.710 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.868 -8.091 6.501 1.00 0.31 H new ATOM 0 HG LEU A 828 3.090 -10.916 6.095 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.589 -11.192 4.160 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.681 -10.916 5.666 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.877 -9.594 4.490 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.829 -10.206 3.854 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.204 -8.570 4.170 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.556 -9.209 5.135 1.00 0.81 H new ATOM 853 N GLY A 829 4.383 -11.178 8.501 1.00 0.58 N ATOM 854 CA GLY A 829 5.729 -11.713 8.565 1.00 0.81 C ATOM 855 C GLY A 829 6.401 -11.764 7.207 1.00 0.49 C ATOM 856 O GLY A 829 7.355 -11.027 6.952 1.00 0.45 O ATOM 0 H GLY A 829 3.645 -11.849 8.716 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.328 -11.101 9.240 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.697 -12.717 8.989 1.00 0.81 H new ATOM 860 N SER A 830 5.902 -12.634 6.335 1.00 0.35 N ATOM 861 CA SER A 830 6.457 -12.783 4.994 1.00 0.23 C ATOM 862 C SER A 830 5.559 -13.676 4.140 1.00 0.19 C ATOM 863 O SER A 830 4.335 -13.634 4.267 1.00 0.20 O ATOM 864 CB SER A 830 7.871 -13.363 5.068 1.00 0.45 C ATOM 865 OG SER A 830 8.674 -12.888 4.001 1.00 1.31 O ATOM 0 H SER A 830 5.112 -13.248 6.534 1.00 0.35 H new ATOM 0 HA SER A 830 6.507 -11.799 4.528 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.329 -13.093 6.020 1.00 0.45 H new ATOM 0 HB3 SER A 830 7.823 -14.451 5.035 1.00 0.45 H new ATOM 0 HG SER A 830 8.099 -12.522 3.297 1.00 1.31 H new ATOM 871 N ASP A 831 6.169 -14.482 3.272 1.00 0.18 N ATOM 872 CA ASP A 831 5.416 -15.380 2.405 1.00 0.18 C ATOM 873 C ASP A 831 4.469 -16.260 3.216 1.00 0.17 C ATOM 874 O ASP A 831 3.454 -16.730 2.704 1.00 0.22 O ATOM 875 CB ASP A 831 6.369 -16.257 1.590 1.00 0.23 C ATOM 876 CG ASP A 831 7.156 -17.219 2.458 1.00 1.33 C ATOM 877 OD1 ASP A 831 7.863 -16.749 3.375 1.00 2.20 O ATOM 878 OD2 ASP A 831 7.066 -18.441 2.221 1.00 1.77 O ATOM 0 H ASP A 831 7.181 -14.530 3.152 1.00 0.18 H new ATOM 0 HA ASP A 831 4.822 -14.769 1.725 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.798 -16.821 0.853 1.00 0.23 H new ATOM 0 HB3 ASP A 831 7.061 -15.621 1.038 1.00 0.23 H new ATOM 883 N GLU A 832 4.807 -16.474 4.486 1.00 0.18 N ATOM 884 CA GLU A 832 3.981 -17.293 5.365 1.00 0.21 C ATOM 885 C GLU A 832 2.640 -16.619 5.624 1.00 0.19 C ATOM 886 O GLU A 832 1.596 -17.108 5.192 1.00 0.19 O ATOM 887 CB GLU A 832 4.705 -17.553 6.686 1.00 0.26 C ATOM 888 CG GLU A 832 5.199 -18.982 6.837 1.00 0.92 C ATOM 889 CD GLU A 832 6.711 -19.072 6.901 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.359 -18.941 5.840 1.00 2.21 O ATOM 891 OE2 GLU A 832 7.247 -19.272 8.011 1.00 1.63 O ATOM 0 H GLU A 832 5.644 -16.092 4.926 1.00 0.18 H new ATOM 0 HA GLU A 832 3.798 -18.248 4.871 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.554 -16.874 6.766 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.032 -17.321 7.511 1.00 0.26 H new ATOM 0 HG2 GLU A 832 4.774 -19.416 7.742 1.00 0.92 H new ATOM 0 HG3 GLU A 832 4.838 -19.578 5.999 1.00 0.92 H new ATOM 898 N ASP A 833 2.675 -15.485 6.322 1.00 0.19 N ATOM 899 CA ASP A 833 1.457 -14.741 6.624 1.00 0.19 C ATOM 900 C ASP A 833 0.818 -14.231 5.343 1.00 0.18 C ATOM 901 O ASP A 833 -0.330 -13.788 5.345 1.00 0.18 O ATOM 902 CB ASP A 833 1.762 -13.572 7.564 1.00 0.22 C ATOM 903 CG ASP A 833 1.954 -14.020 9.000 1.00 0.41 C ATOM 904 OD1 ASP A 833 3.022 -14.593 9.304 1.00 0.73 O ATOM 905 OD2 ASP A 833 1.039 -13.800 9.819 1.00 0.73 O ATOM 0 H ASP A 833 3.530 -15.064 6.687 1.00 0.19 H new ATOM 0 HA ASP A 833 0.757 -15.413 7.121 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.662 -13.060 7.223 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.947 -12.850 7.517 1.00 0.22 H new ATOM 910 N TRP A 834 1.562 -14.312 4.244 1.00 0.17 N ATOM 911 CA TRP A 834 1.050 -13.876 2.953 1.00 0.17 C ATOM 912 C TRP A 834 0.193 -14.975 2.340 1.00 0.17 C ATOM 913 O TRP A 834 -0.861 -14.705 1.765 1.00 0.19 O ATOM 914 CB TRP A 834 2.196 -13.504 2.009 1.00 0.19 C ATOM 915 CG TRP A 834 1.739 -12.890 0.716 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.296 -13.082 -0.516 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.638 -11.989 0.520 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.619 -12.352 -1.461 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.594 -11.677 -0.852 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.314 -11.414 1.370 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.362 -10.821 -1.392 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.263 -10.565 0.832 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.281 -10.276 -0.537 1.00 0.26 C ATOM 0 H TRP A 834 2.516 -14.674 4.223 1.00 0.17 H new ATOM 0 HA TRP A 834 0.437 -12.988 3.104 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.861 -12.806 2.517 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.779 -14.398 1.790 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.146 -13.717 -0.718 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.843 -12.318 -2.456 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.307 -11.630 2.428 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.378 -10.595 -2.448 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.003 -10.117 1.479 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.036 -9.609 -0.927 1.00 0.26 H new ATOM 934 N ASN A 835 0.644 -16.216 2.491 1.00 0.18 N ATOM 935 CA ASN A 835 -0.090 -17.363 1.976 1.00 0.20 C ATOM 936 C ASN A 835 -1.349 -17.586 2.803 1.00 0.20 C ATOM 937 O ASN A 835 -2.377 -18.027 2.288 1.00 0.23 O ATOM 938 CB ASN A 835 0.785 -18.618 2.004 1.00 0.23 C ATOM 939 CG ASN A 835 1.534 -18.832 0.703 1.00 1.38 C ATOM 940 OD1 ASN A 835 0.929 -19.098 -0.337 1.00 1.90 O ATOM 941 ND2 ASN A 835 2.855 -18.716 0.754 1.00 1.98 N ATOM 0 H ASN A 835 1.515 -16.452 2.966 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.371 -17.161 0.942 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.500 -18.540 2.823 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.161 -19.488 2.208 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.412 -18.848 -0.090 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.314 -18.494 1.638 1.00 1.98 H new ATOM 948 N VAL A 836 -1.261 -17.256 4.089 1.00 0.20 N ATOM 949 CA VAL A 836 -2.391 -17.397 4.995 1.00 0.22 C ATOM 950 C VAL A 836 -3.397 -16.286 4.741 1.00 0.22 C ATOM 951 O VAL A 836 -4.576 -16.545 4.498 1.00 0.27 O ATOM 952 CB VAL A 836 -1.950 -17.354 6.472 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.129 -17.627 7.392 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.828 -18.350 6.724 1.00 0.62 C ATOM 0 H VAL A 836 -0.415 -16.888 4.525 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.846 -18.369 4.804 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.574 -16.354 6.689 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.797 -17.592 8.430 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.898 -16.871 7.232 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.539 -18.613 7.175 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.530 -18.305 7.772 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.175 -19.356 6.488 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.026 -18.103 6.093 1.00 0.62 H new ATOM 964 N ALA A 837 -2.918 -15.045 4.781 1.00 0.20 N ATOM 965 CA ALA A 837 -3.775 -13.891 4.533 1.00 0.20 C ATOM 966 C ALA A 837 -4.450 -14.016 3.173 1.00 0.20 C ATOM 967 O ALA A 837 -5.549 -13.502 2.961 1.00 0.21 O ATOM 968 CB ALA A 837 -2.973 -12.601 4.609 1.00 0.22 C ATOM 0 H ALA A 837 -1.945 -14.814 4.982 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.545 -13.862 5.304 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.631 -11.752 4.421 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.531 -12.505 5.601 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.182 -12.620 3.860 1.00 0.22 H new ATOM 974 N LYS A 838 -3.785 -14.717 2.257 1.00 0.21 N ATOM 975 CA LYS A 838 -4.319 -14.928 0.916 1.00 0.24 C ATOM 976 C LYS A 838 -5.488 -15.904 0.961 1.00 0.24 C ATOM 977 O LYS A 838 -6.552 -15.644 0.398 1.00 0.26 O ATOM 978 CB LYS A 838 -3.230 -15.461 -0.017 1.00 0.28 C ATOM 979 CG LYS A 838 -2.486 -14.373 -0.774 1.00 0.38 C ATOM 980 CD LYS A 838 -1.562 -14.960 -1.831 1.00 0.49 C ATOM 981 CE LYS A 838 -0.341 -15.615 -1.205 1.00 0.68 C ATOM 982 NZ LYS A 838 0.375 -16.495 -2.171 1.00 0.85 N ATOM 0 H LYS A 838 -2.875 -15.148 2.420 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.671 -13.971 0.532 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.514 -16.039 0.568 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.682 -16.146 -0.734 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.203 -13.703 -1.248 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -1.905 -13.774 -0.073 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.107 -15.695 -2.423 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.243 -14.173 -2.514 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.339 -14.844 -0.844 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.648 -16.201 -0.339 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 0.959 -17.180 -1.650 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.318 -17.005 -2.755 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.984 -15.915 -2.783 1.00 0.85 H new ATOM 996 N GLU A 839 -5.284 -17.025 1.647 1.00 0.26 N ATOM 997 CA GLU A 839 -6.323 -18.039 1.779 1.00 0.29 C ATOM 998 C GLU A 839 -7.509 -17.476 2.552 1.00 0.27 C ATOM 999 O GLU A 839 -8.633 -17.965 2.434 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.772 -19.276 2.491 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.795 -20.533 1.636 1.00 0.71 C ATOM 1002 CD GLU A 839 -4.405 -21.054 1.327 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -3.663 -20.368 0.593 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -4.057 -22.148 1.821 1.00 1.82 O ATOM 0 H GLU A 839 -4.409 -17.253 2.119 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.656 -18.329 0.782 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.747 -19.078 2.803 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.353 -19.452 3.396 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.363 -21.308 2.151 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -6.316 -20.323 0.702 1.00 0.71 H new ATOM 1011 N MET A 840 -7.247 -16.435 3.337 1.00 0.25 N ATOM 1012 CA MET A 840 -8.283 -15.786 4.129 1.00 0.24 C ATOM 1013 C MET A 840 -9.136 -14.881 3.244 1.00 0.24 C ATOM 1014 O MET A 840 -10.343 -14.752 3.448 1.00 0.27 O ATOM 1015 CB MET A 840 -7.644 -14.982 5.270 1.00 0.24 C ATOM 1016 CG MET A 840 -8.442 -13.757 5.695 1.00 0.26 C ATOM 1017 SD MET A 840 -7.418 -12.506 6.495 1.00 0.30 S ATOM 1018 CE MET A 840 -7.092 -11.404 5.121 1.00 0.27 C ATOM 0 H MET A 840 -6.320 -16.022 3.441 1.00 0.25 H new ATOM 0 HA MET A 840 -8.930 -16.549 4.562 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.517 -15.636 6.133 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.648 -14.664 4.962 1.00 0.24 H new ATOM 0 HG2 MET A 840 -8.925 -13.321 4.820 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.235 -14.063 6.377 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.981 -10.385 5.491 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.174 -11.710 4.619 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.922 -11.446 4.416 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.495 -14.261 2.258 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.186 -13.370 1.332 1.00 0.24 C ATOM 1030 C LEU A 841 -10.176 -14.146 0.471 1.00 0.24 C ATOM 1031 O LEU A 841 -11.336 -13.755 0.337 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.175 -12.646 0.440 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.473 -11.455 1.095 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.097 -11.247 0.484 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.315 -10.196 0.955 1.00 0.38 C ATOM 0 H LEU A 841 -7.496 -14.360 2.079 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.738 -12.634 1.916 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.419 -13.362 0.118 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.688 -12.298 -0.457 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.350 -11.669 2.157 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.612 -10.396 0.962 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.493 -12.141 0.636 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.198 -11.054 -0.584 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.800 -9.359 1.427 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.470 -9.978 -0.102 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.280 -10.348 1.439 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.713 -15.249 -0.110 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.560 -16.080 -0.955 1.00 0.35 C ATOM 1049 C ALA A 842 -11.681 -16.717 -0.146 1.00 0.36 C ATOM 1050 O ALA A 842 -12.767 -16.977 -0.666 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.733 -17.155 -1.634 1.00 0.49 C ATOM 0 H ALA A 842 -8.756 -15.587 -0.010 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.008 -15.441 -1.717 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.379 -17.768 -2.262 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.965 -16.688 -2.250 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.260 -17.782 -0.878 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.411 -16.960 1.132 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.393 -17.561 2.024 1.00 0.42 C ATOM 1059 C GLU A 843 -13.520 -16.580 2.328 1.00 0.53 C ATOM 1060 O GLU A 843 -14.367 -16.836 3.184 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.725 -18.007 3.325 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.465 -19.132 4.035 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.758 -19.592 5.296 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.514 -19.493 5.350 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -12.449 -20.056 6.227 1.00 1.36 O ATOM 0 H GLU A 843 -10.516 -16.749 1.574 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.817 -18.432 1.525 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.708 -18.333 3.108 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -11.650 -17.152 3.997 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.471 -18.797 4.289 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.573 -19.977 3.355 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.524 -15.454 1.620 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.546 -14.432 1.811 1.00 0.77 C ATOM 1074 C ASN A 844 -14.830 -13.692 0.507 1.00 0.81 C ATOM 1075 O ASN A 844 -15.371 -12.586 0.517 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.108 -13.437 2.889 1.00 0.89 C ATOM 1077 CG ASN A 844 -14.371 -13.951 4.291 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -15.500 -13.908 4.780 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -13.323 -14.439 4.947 1.00 1.05 N ATOM 0 H ASN A 844 -12.830 -15.227 0.908 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.462 -14.928 2.133 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.044 -13.227 2.775 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -14.636 -12.494 2.746 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -13.437 -14.798 5.895 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -12.405 -14.455 4.502 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.460 -14.310 -0.612 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.670 -13.717 -1.931 1.00 0.56 C ATOM 1088 C ASN A 845 -13.885 -12.416 -2.079 1.00 0.48 C ATOM 1089 O ASN A 845 -14.082 -11.667 -3.037 1.00 0.57 O ATOM 1090 CB ASN A 845 -16.160 -13.460 -2.172 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.948 -14.744 -2.356 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.649 -15.763 -1.736 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -17.960 -14.696 -3.214 1.00 1.97 N ATOM 0 H ASN A 845 -14.011 -15.226 -0.632 1.00 0.49 H new ATOM 0 HA ASN A 845 -14.307 -14.424 -2.677 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.570 -12.903 -1.330 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.279 -12.834 -3.056 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -18.527 -15.527 -3.381 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -18.171 -13.828 -3.706 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.995 -12.154 -1.127 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.178 -10.946 -1.150 1.00 0.31 C ATOM 1102 C GLU A 846 -10.915 -11.160 -1.979 1.00 0.30 C ATOM 1103 O GLU A 846 -10.367 -12.261 -2.020 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.802 -10.536 0.276 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.642 -9.396 0.836 1.00 0.44 C ATOM 1106 CD GLU A 846 -14.057 -9.374 0.286 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.273 -8.745 -0.771 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.946 -9.983 0.916 1.00 1.69 O ATOM 0 H GLU A 846 -12.821 -12.764 -0.328 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.762 -10.149 -1.610 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.902 -11.402 0.930 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.752 -10.243 0.294 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.682 -9.481 1.922 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -12.155 -8.448 0.608 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.460 -10.099 -2.636 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.260 -10.167 -3.464 1.00 0.31 C ATOM 1117 C LYS A 847 -8.371 -8.949 -3.236 1.00 0.36 C ATOM 1118 O LYS A 847 -7.182 -8.968 -3.556 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.635 -10.266 -4.944 1.00 0.38 C ATOM 1120 CG LYS A 847 -11.011 -9.702 -5.266 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.637 -10.403 -6.461 1.00 0.97 C ATOM 1122 CE LYS A 847 -13.048 -9.904 -6.722 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.997 -11.021 -6.987 1.00 1.98 N ATOM 0 H LYS A 847 -10.904 -9.181 -2.612 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.706 -11.061 -3.177 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.888 -9.737 -5.535 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.600 -11.312 -5.249 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.661 -9.810 -4.398 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.929 -8.635 -5.472 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.022 -10.237 -7.345 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.657 -11.478 -6.284 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.394 -9.331 -5.862 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.040 -9.225 -7.575 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -14.947 -10.636 -7.160 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.682 -11.553 -7.823 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -14.025 -11.655 -6.163 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.954 -7.890 -2.681 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.214 -6.663 -2.412 1.00 0.37 C ATOM 1139 C PHE A 848 -7.555 -6.719 -1.036 1.00 0.30 C ATOM 1140 O PHE A 848 -8.088 -7.327 -0.108 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.144 -5.451 -2.504 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.020 -5.451 -3.726 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.468 -5.414 -5.000 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.400 -5.482 -3.601 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.277 -5.412 -6.121 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.213 -5.478 -4.719 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.651 -5.443 -5.980 1.00 0.98 C ATOM 0 H PHE A 848 -9.937 -7.858 -2.409 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.431 -6.564 -3.164 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.775 -5.420 -1.616 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.543 -4.542 -2.499 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.395 -5.386 -5.116 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.846 -5.510 -2.618 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.835 -5.386 -7.106 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.287 -5.502 -4.606 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.285 -5.440 -6.855 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.390 -6.089 -0.913 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.656 -6.079 0.349 1.00 0.23 C ATOM 1159 C LEU A 849 -5.370 -4.652 0.814 1.00 0.24 C ATOM 1160 O LEU A 849 -4.927 -3.809 0.033 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.342 -6.855 0.195 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.853 -7.601 1.443 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.103 -6.660 2.368 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.013 -8.262 2.177 1.00 0.74 C ATOM 0 H LEU A 849 -5.935 -5.580 -1.670 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.276 -6.561 1.105 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.462 -7.577 -0.612 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.565 -6.157 -0.115 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.169 -8.386 1.119 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.764 -7.208 3.247 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.242 -6.245 1.845 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.764 -5.850 2.677 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.637 -8.783 3.057 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.730 -7.501 2.485 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.503 -8.975 1.515 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.627 -4.393 2.095 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.400 -3.072 2.677 1.00 0.29 C ATOM 1178 C ASN A 850 -4.005 -2.984 3.291 1.00 0.30 C ATOM 1179 O ASN A 850 -3.397 -4.002 3.619 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.459 -2.777 3.742 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.731 -2.206 3.145 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.773 -2.862 3.137 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -7.650 -0.981 2.639 1.00 0.92 N ATOM 0 H ASN A 850 -5.994 -5.083 2.751 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.476 -2.330 1.882 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.693 -3.694 4.282 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.054 -2.074 4.469 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -8.473 -0.546 2.222 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -6.765 -0.475 2.668 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.497 -1.762 3.437 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.167 -1.556 4.002 1.00 0.36 C ATOM 1192 C ILE A 851 -2.206 -0.648 5.229 1.00 0.53 C ATOM 1193 O ILE A 851 -3.217 -0.002 5.502 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.207 -0.966 2.963 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.539 -1.541 1.588 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.239 -1.240 3.344 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.707 -2.742 1.185 1.00 1.04 C ATOM 0 H ILE A 851 -3.983 -0.905 3.174 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.804 -2.537 4.308 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.330 0.117 2.931 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.592 -1.824 1.572 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.408 -0.758 0.841 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.901 -0.812 2.591 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.452 -0.789 4.313 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.403 -2.316 3.401 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.013 -3.081 0.195 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.347 -2.464 1.163 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.855 -3.546 1.906 1.00 1.04 H new