USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 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 799 ASN :FLIP amide:sc= -0.514 F(o=-4.2!,f=0.59) USER MOD Set 1.2: A 803 SER OG : rot -21:sc= 1.11 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN :FLIP amide:sc= -0.0437 F(o=-2.1,f=-0.044) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 800 SER OG : rot -72:sc= 0.841 USER MOD Single : A 801 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0476) USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 151:sc= -0.281 (180deg=-1.5) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 819 GLN : amide:sc= -0.356 K(o=-0.36,f=-3.1!) USER MOD Single : A 830 SER OG : rot -24:sc= 0.523 USER MOD Single : A 835 ASN :FLIP amide:sc= -1.09 F(o=-1.9,f=-1.1) USER MOD Single : A 838 LYS NZ :NH3+ -172:sc= 1.12 (180deg=1.07) USER MOD Single : A 840 MET CE :methyl -145:sc= 0 (180deg=-0.0335) USER MOD Single : A 844 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.38) USER MOD Single : A 845 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 847 LYS NZ :NH3+ -147:sc= 0.0442 (180deg=-0.139) USER MOD Single : A 850 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -5.720 3.779 3.728 1.00 0.79 N ATOM 56 CA ILE A 780 -5.178 2.430 3.616 1.00 0.51 C ATOM 57 C ILE A 780 -4.515 2.215 2.257 1.00 0.46 C ATOM 58 O ILE A 780 -4.080 3.170 1.613 1.00 0.53 O ATOM 59 CB ILE A 780 -6.272 1.360 3.821 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.625 2.015 4.108 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.888 0.419 4.952 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.410 2.352 2.859 1.00 1.22 C ATOM 0 HA ILE A 780 -4.431 2.324 4.403 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.361 0.782 2.901 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -8.219 1.346 4.731 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.464 2.927 4.683 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.669 -0.329 5.084 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -4.948 -0.077 4.710 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.771 0.988 5.875 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.357 2.813 3.138 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -7.836 3.046 2.245 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.603 1.440 2.293 1.00 1.22 H new ATOM 74 N PHE A 781 -4.446 0.958 1.822 1.00 0.39 N ATOM 75 CA PHE A 781 -3.850 0.616 0.549 1.00 0.36 C ATOM 76 C PHE A 781 -4.427 -0.703 0.069 1.00 0.30 C ATOM 77 O PHE A 781 -4.026 -1.770 0.520 1.00 0.35 O ATOM 78 CB PHE A 781 -2.328 0.518 0.672 1.00 0.41 C ATOM 79 CG PHE A 781 -1.586 1.324 -0.357 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.693 2.706 -0.385 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.784 0.698 -1.298 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.012 3.448 -1.332 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.101 1.435 -2.246 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.211 2.813 -2.259 1.00 0.73 C ATOM 0 H PHE A 781 -4.802 0.158 2.345 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.078 1.399 -0.175 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.030 0.852 1.666 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.032 -0.527 0.585 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.315 3.208 0.341 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.692 -0.378 -1.290 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.107 4.524 -1.346 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.518 0.935 -2.976 1.00 0.94 H new ATOM 0 HZ PHE A 781 0.329 3.392 -2.994 1.00 0.73 H new ATOM 94 N THR A 782 -5.389 -0.614 -0.831 1.00 0.28 N ATOM 95 CA THR A 782 -6.051 -1.799 -1.362 1.00 0.29 C ATOM 96 C THR A 782 -5.430 -2.222 -2.686 1.00 0.35 C ATOM 97 O THR A 782 -5.792 -1.714 -3.748 1.00 0.52 O ATOM 98 CB THR A 782 -7.558 -1.552 -1.572 1.00 0.41 C ATOM 99 OG1 THR A 782 -7.836 -0.146 -1.519 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.378 -2.274 -0.516 1.00 0.44 C ATOM 0 H THR A 782 -5.732 0.267 -1.213 1.00 0.28 H new ATOM 0 HA THR A 782 -5.919 -2.594 -0.628 1.00 0.29 H new ATOM 0 HB THR A 782 -7.834 -1.941 -2.552 1.00 0.41 H new ATOM 0 HG1 THR A 782 -8.795 0.003 -1.655 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.438 -2.084 -0.686 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.187 -3.345 -0.577 1.00 0.44 H new ATOM 0 HG23 THR A 782 -8.098 -1.911 0.473 1.00 0.44 H new ATOM 108 N LEU A 783 -4.487 -3.154 -2.604 1.00 0.40 N ATOM 109 CA LEU A 783 -3.796 -3.658 -3.783 1.00 0.56 C ATOM 110 C LEU A 783 -4.376 -5.000 -4.221 1.00 0.58 C ATOM 111 O LEU A 783 -4.118 -6.030 -3.600 1.00 0.99 O ATOM 112 CB LEU A 783 -2.299 -3.807 -3.491 1.00 0.67 C ATOM 113 CG LEU A 783 -1.364 -3.343 -4.606 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.499 -4.248 -5.817 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.654 -1.898 -4.976 1.00 1.53 C ATOM 0 H LEU A 783 -4.183 -3.577 -1.727 1.00 0.40 H new ATOM 0 HA LEU A 783 -3.935 -2.942 -4.593 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.065 -3.245 -2.587 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.090 -4.855 -3.278 1.00 0.67 H new ATOM 0 HG LEU A 783 -0.336 -3.402 -4.247 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.827 -3.906 -6.604 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.241 -5.270 -5.538 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -2.527 -4.220 -6.180 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.979 -1.584 -5.772 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -2.685 -1.810 -5.319 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.507 -1.262 -4.103 1.00 1.53 H new ATOM 127 N LEU A 784 -5.156 -4.977 -5.299 1.00 0.27 N ATOM 128 CA LEU A 784 -5.767 -6.188 -5.825 1.00 0.26 C ATOM 129 C LEU A 784 -4.702 -7.223 -6.158 1.00 0.23 C ATOM 130 O LEU A 784 -3.883 -7.027 -7.054 1.00 0.29 O ATOM 131 CB LEU A 784 -6.594 -5.875 -7.070 1.00 0.31 C ATOM 132 CG LEU A 784 -7.090 -7.097 -7.846 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.610 -7.127 -7.885 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.516 -7.101 -9.254 1.00 0.75 C ATOM 0 H LEU A 784 -5.378 -4.131 -5.823 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.426 -6.595 -5.058 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.456 -5.278 -6.773 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.995 -5.258 -7.739 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.746 -7.994 -7.332 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.942 -8.003 -8.441 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.999 -7.174 -6.868 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.979 -6.225 -8.374 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.879 -7.977 -9.792 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.830 -6.198 -9.777 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.428 -7.131 -9.203 1.00 0.75 H new ATOM 146 N VAL A 785 -4.725 -8.318 -5.421 1.00 0.25 N ATOM 147 CA VAL A 785 -3.765 -9.397 -5.614 1.00 0.30 C ATOM 148 C VAL A 785 -4.391 -10.574 -6.354 1.00 0.34 C ATOM 149 O VAL A 785 -5.571 -10.546 -6.704 1.00 0.55 O ATOM 150 CB VAL A 785 -3.201 -9.887 -4.268 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.516 -8.746 -3.534 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.302 -10.495 -3.411 1.00 1.18 C ATOM 0 H VAL A 785 -5.402 -8.487 -4.677 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.952 -8.993 -6.217 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.461 -10.662 -4.467 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.123 -9.108 -2.584 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.698 -8.361 -4.143 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.236 -7.949 -3.348 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.881 -10.835 -2.465 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.069 -9.745 -3.218 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.746 -11.341 -3.935 1.00 1.18 H new ATOM 162 N GLU A 786 -3.589 -11.608 -6.587 1.00 0.38 N ATOM 163 CA GLU A 786 -4.054 -12.801 -7.284 1.00 0.42 C ATOM 164 C GLU A 786 -3.844 -14.045 -6.429 1.00 0.46 C ATOM 165 O GLU A 786 -3.285 -13.971 -5.334 1.00 0.48 O ATOM 166 CB GLU A 786 -3.320 -12.957 -8.618 1.00 0.43 C ATOM 167 CG GLU A 786 -4.161 -13.602 -9.707 1.00 0.56 C ATOM 168 CD GLU A 786 -5.110 -12.625 -10.370 1.00 0.75 C ATOM 169 OE1 GLU A 786 -4.698 -11.472 -10.619 1.00 1.02 O ATOM 170 OE2 GLU A 786 -6.267 -13.010 -10.641 1.00 1.40 O ATOM 0 H GLU A 786 -2.610 -11.643 -6.302 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.121 -12.687 -7.475 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -2.992 -11.975 -8.959 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.423 -13.556 -8.461 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.503 -14.032 -10.462 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.734 -14.424 -9.279 1.00 0.56 H new ATOM 177 N LYS A 787 -4.294 -15.188 -6.935 1.00 0.51 N ATOM 178 CA LYS A 787 -4.155 -16.451 -6.219 1.00 0.57 C ATOM 179 C LYS A 787 -2.842 -17.137 -6.583 1.00 0.60 C ATOM 180 O LYS A 787 -2.830 -18.291 -7.016 1.00 1.07 O ATOM 181 CB LYS A 787 -5.335 -17.372 -6.536 1.00 0.64 C ATOM 182 CG LYS A 787 -6.600 -17.026 -5.768 1.00 1.29 C ATOM 183 CD LYS A 787 -7.777 -16.800 -6.704 1.00 1.49 C ATOM 184 CE LYS A 787 -9.078 -17.290 -6.090 1.00 2.24 C ATOM 185 NZ LYS A 787 -10.139 -17.476 -7.118 1.00 2.85 N ATOM 0 H LYS A 787 -4.759 -15.266 -7.840 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.148 -16.239 -5.150 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.545 -17.326 -7.605 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.053 -18.401 -6.311 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -6.836 -17.831 -5.073 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.431 -16.129 -5.172 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.860 -15.738 -6.936 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -7.599 -17.319 -7.646 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -8.903 -18.234 -5.573 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -9.419 -16.575 -5.341 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -11.011 -17.811 -6.660 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -10.324 -16.570 -7.594 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -9.824 -18.177 -7.819 1.00 2.85 H new ATOM 199 N VAL A 788 -1.737 -16.416 -6.410 1.00 0.29 N ATOM 200 CA VAL A 788 -0.414 -16.946 -6.725 1.00 0.29 C ATOM 201 C VAL A 788 0.684 -16.003 -6.241 1.00 0.26 C ATOM 202 O VAL A 788 1.800 -16.430 -5.942 1.00 0.29 O ATOM 203 CB VAL A 788 -0.254 -17.171 -8.244 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.726 -15.946 -9.015 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.189 -17.506 -8.597 1.00 0.33 C ATOM 0 H VAL A 788 -1.732 -15.461 -6.052 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.319 -17.901 -6.209 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.875 -18.020 -8.530 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.607 -16.121 -10.084 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.777 -15.759 -8.793 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.133 -15.080 -8.720 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.274 -17.660 -9.673 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.838 -16.684 -8.295 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.489 -18.415 -8.076 1.00 0.33 H new ATOM 215 N TRP A 789 0.356 -14.717 -6.178 1.00 0.21 N ATOM 216 CA TRP A 789 1.306 -13.695 -5.747 1.00 0.18 C ATOM 217 C TRP A 789 1.984 -14.061 -4.434 1.00 0.18 C ATOM 218 O TRP A 789 1.322 -14.316 -3.428 1.00 0.19 O ATOM 219 CB TRP A 789 0.601 -12.350 -5.585 1.00 0.18 C ATOM 220 CG TRP A 789 0.345 -11.656 -6.884 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.397 -12.207 -8.133 1.00 0.22 C ATOM 222 CD2 TRP A 789 0.004 -10.279 -7.065 1.00 0.22 C ATOM 223 NE1 TRP A 789 0.108 -11.257 -9.077 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.139 -10.064 -8.448 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.197 -9.208 -6.191 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.474 -8.818 -8.977 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.529 -7.973 -6.714 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.664 -7.788 -8.097 1.00 0.30 C ATOM 0 H TRP A 789 -0.566 -14.355 -6.421 1.00 0.21 H new ATOM 0 HA TRP A 789 2.071 -13.627 -6.520 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.347 -12.504 -5.071 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.207 -11.704 -4.949 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.631 -13.240 -8.345 1.00 0.22 H new ATOM 0 HE1 TRP A 789 0.081 -11.412 -10.085 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.095 -9.343 -5.124 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.580 -8.672 -10.042 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.687 -7.138 -6.048 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -0.924 -6.811 -8.476 1.00 0.30 H new ATOM 239 N ASN A 790 3.311 -14.047 -4.444 1.00 0.18 N ATOM 240 CA ASN A 790 4.085 -14.335 -3.247 1.00 0.20 C ATOM 241 C ASN A 790 4.394 -13.025 -2.539 1.00 0.18 C ATOM 242 O ASN A 790 4.186 -11.955 -3.107 1.00 0.20 O ATOM 243 CB ASN A 790 5.384 -15.064 -3.600 1.00 0.24 C ATOM 244 CG ASN A 790 5.418 -15.525 -5.044 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.744 -14.608 -5.947 1.00 1.89 O flip ATOM 246 ND2 ASN A 790 5.156 -16.689 -5.343 1.00 0.77 N flip ATOM 0 H ASN A 790 3.873 -13.839 -5.270 1.00 0.18 H new ATOM 0 HA ASN A 790 3.506 -14.985 -2.591 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.230 -14.403 -3.413 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.503 -15.926 -2.944 1.00 0.24 H new ATOM 0 HD21 ASN A 790 4.910 -17.360 -4.615 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.184 -16.984 -6.319 1.00 0.77 H new ATOM 253 N PHE A 791 4.878 -13.097 -1.305 1.00 0.20 N ATOM 254 CA PHE A 791 5.195 -11.884 -0.558 1.00 0.20 C ATOM 255 C PHE A 791 6.146 -11.008 -1.359 1.00 0.16 C ATOM 256 O PHE A 791 6.151 -9.786 -1.216 1.00 0.17 O ATOM 257 CB PHE A 791 5.805 -12.230 0.803 1.00 0.26 C ATOM 258 CG PHE A 791 6.144 -11.025 1.631 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.147 -10.294 2.255 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.462 -10.624 1.788 1.00 0.47 C ATOM 261 CE1 PHE A 791 5.455 -9.187 3.022 1.00 0.57 C ATOM 262 CE2 PHE A 791 7.777 -9.517 2.553 1.00 0.59 C ATOM 263 CZ PHE A 791 6.770 -8.788 3.159 1.00 0.63 C ATOM 0 H PHE A 791 5.058 -13.968 -0.805 1.00 0.20 H new ATOM 0 HA PHE A 791 4.271 -11.332 -0.387 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.106 -12.857 1.357 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.708 -12.820 0.648 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.116 -10.593 2.141 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.251 -11.183 1.307 1.00 0.47 H new ATOM 0 HE1 PHE A 791 4.668 -8.634 3.514 1.00 0.57 H new ATOM 0 HE2 PHE A 791 8.808 -9.222 2.677 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.011 -7.909 3.738 1.00 0.63 H new ATOM 273 N ASP A 792 6.933 -11.640 -2.221 1.00 0.17 N ATOM 274 CA ASP A 792 7.868 -10.916 -3.066 1.00 0.17 C ATOM 275 C ASP A 792 7.102 -10.137 -4.125 1.00 0.16 C ATOM 276 O ASP A 792 7.232 -8.918 -4.224 1.00 0.19 O ATOM 277 CB ASP A 792 8.849 -11.883 -3.730 1.00 0.22 C ATOM 278 CG ASP A 792 9.498 -12.825 -2.737 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.872 -12.363 -1.637 1.00 1.47 O ATOM 280 OD2 ASP A 792 9.633 -14.026 -3.057 1.00 2.05 O ATOM 0 H ASP A 792 6.941 -12.652 -2.352 1.00 0.17 H new ATOM 0 HA ASP A 792 8.436 -10.220 -2.449 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.324 -12.465 -4.488 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.623 -11.314 -4.245 1.00 0.22 H new ATOM 285 N ASP A 793 6.288 -10.850 -4.905 1.00 0.17 N ATOM 286 CA ASP A 793 5.487 -10.225 -5.949 1.00 0.18 C ATOM 287 C ASP A 793 4.581 -9.157 -5.351 1.00 0.17 C ATOM 288 O ASP A 793 4.269 -8.156 -5.998 1.00 0.24 O ATOM 289 CB ASP A 793 4.649 -11.278 -6.675 1.00 0.19 C ATOM 290 CG ASP A 793 4.606 -11.052 -8.174 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.688 -10.963 -8.792 1.00 1.04 O ATOM 292 OD2 ASP A 793 3.492 -10.962 -8.730 1.00 1.07 O ATOM 0 H ASP A 793 6.169 -11.860 -4.831 1.00 0.17 H new ATOM 0 HA ASP A 793 6.158 -9.754 -6.667 1.00 0.18 H new ATOM 0 HB2 ASP A 793 5.058 -12.267 -6.471 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.633 -11.266 -6.279 1.00 0.19 H new ATOM 297 N LEU A 794 4.170 -9.377 -4.107 1.00 0.14 N ATOM 298 CA LEU A 794 3.307 -8.434 -3.407 1.00 0.15 C ATOM 299 C LEU A 794 4.039 -7.122 -3.164 1.00 0.15 C ATOM 300 O LEU A 794 3.558 -6.050 -3.533 1.00 0.17 O ATOM 301 CB LEU A 794 2.852 -9.016 -2.066 1.00 0.19 C ATOM 302 CG LEU A 794 1.784 -8.195 -1.346 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.538 -8.053 -2.207 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.447 -8.821 -0.001 1.00 0.70 C ATOM 0 H LEU A 794 4.421 -10.202 -3.562 1.00 0.14 H new ATOM 0 HA LEU A 794 2.434 -8.248 -4.032 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.467 -10.022 -2.233 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.720 -9.111 -1.413 1.00 0.19 H new ATOM 0 HG LEU A 794 2.182 -7.196 -1.167 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.208 -7.465 -1.673 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.796 -7.552 -3.140 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.132 -9.041 -2.426 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.685 -8.223 0.498 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.072 -9.833 -0.154 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.343 -8.857 0.619 1.00 0.70 H new ATOM 316 N ILE A 795 5.202 -7.225 -2.533 1.00 0.19 N ATOM 317 CA ILE A 795 6.019 -6.059 -2.222 1.00 0.22 C ATOM 318 C ILE A 795 6.306 -5.223 -3.464 1.00 0.21 C ATOM 319 O ILE A 795 6.465 -4.011 -3.371 1.00 0.23 O ATOM 320 CB ILE A 795 7.341 -6.479 -1.553 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.075 -7.042 -0.153 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.317 -5.310 -1.480 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.356 -6.077 0.770 1.00 0.32 C ATOM 0 H ILE A 795 5.603 -8.111 -2.225 1.00 0.19 H new ATOM 0 HA ILE A 795 5.449 -5.444 -1.526 1.00 0.22 H new ATOM 0 HB ILE A 795 7.796 -7.258 -2.164 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.482 -7.952 -0.244 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.025 -7.325 0.301 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.241 -5.637 -1.003 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.535 -4.954 -2.487 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.874 -4.502 -0.898 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.204 -6.548 1.741 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.957 -5.176 0.893 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.390 -5.813 0.339 1.00 0.32 H new ATOM 335 N MET A 796 6.366 -5.866 -4.626 1.00 0.23 N ATOM 336 CA MET A 796 6.632 -5.151 -5.874 1.00 0.26 C ATOM 337 C MET A 796 5.452 -4.262 -6.245 1.00 0.23 C ATOM 338 O MET A 796 5.623 -3.069 -6.503 1.00 0.22 O ATOM 339 CB MET A 796 6.923 -6.132 -7.012 1.00 0.36 C ATOM 340 CG MET A 796 7.752 -7.332 -6.588 1.00 0.46 C ATOM 341 SD MET A 796 8.417 -8.249 -7.990 1.00 0.67 S ATOM 342 CE MET A 796 10.133 -7.743 -7.944 1.00 1.53 C ATOM 0 H MET A 796 6.236 -6.872 -4.732 1.00 0.23 H new ATOM 0 HA MET A 796 7.511 -4.525 -5.720 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.978 -6.483 -7.428 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.446 -5.604 -7.810 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.574 -6.995 -5.956 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.137 -7.998 -5.983 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.677 -8.229 -8.754 1.00 1.53 H new ATOM 0 HE2 MET A 796 10.197 -6.661 -8.062 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.572 -8.030 -6.988 1.00 1.53 H new ATOM 352 N ALA A 797 4.256 -4.843 -6.266 1.00 0.26 N ATOM 353 CA ALA A 797 3.050 -4.092 -6.597 1.00 0.30 C ATOM 354 C ALA A 797 2.928 -2.871 -5.695 1.00 0.28 C ATOM 355 O ALA A 797 2.752 -1.747 -6.167 1.00 0.30 O ATOM 356 CB ALA A 797 1.821 -4.979 -6.465 1.00 0.38 C ATOM 0 H ALA A 797 4.097 -5.829 -6.058 1.00 0.26 H new ATOM 0 HA ALA A 797 3.120 -3.754 -7.631 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.929 -4.405 -6.715 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.909 -5.827 -7.145 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.743 -5.342 -5.440 1.00 0.38 H new ATOM 362 N ILE A 798 3.044 -3.105 -4.392 1.00 0.27 N ATOM 363 CA ILE A 798 2.969 -2.035 -3.411 1.00 0.31 C ATOM 364 C ILE A 798 4.072 -1.012 -3.650 1.00 0.29 C ATOM 365 O ILE A 798 3.814 0.186 -3.766 1.00 0.33 O ATOM 366 CB ILE A 798 3.101 -2.587 -1.982 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.884 -3.449 -1.639 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.268 -1.448 -0.983 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.933 -4.047 -0.248 1.00 0.50 C ATOM 0 H ILE A 798 3.191 -4.032 -3.992 1.00 0.27 H new ATOM 0 HA ILE A 798 1.996 -1.557 -3.521 1.00 0.31 H new ATOM 0 HB ILE A 798 3.991 -3.213 -1.925 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.983 -2.843 -1.733 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.804 -4.255 -2.369 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.360 -1.857 0.023 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.165 -0.879 -1.227 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.399 -0.792 -1.030 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.038 -4.645 -0.077 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.815 -4.680 -0.155 1.00 0.50 H new ATOM 0 HD13 ILE A 798 1.982 -3.247 0.491 1.00 0.50 H new ATOM 381 N ASN A 799 5.303 -1.504 -3.714 1.00 0.25 N ATOM 382 CA ASN A 799 6.467 -0.656 -3.932 1.00 0.29 C ATOM 383 C ASN A 799 6.308 0.199 -5.187 1.00 0.27 C ATOM 384 O ASN A 799 6.885 1.283 -5.288 1.00 0.36 O ATOM 385 CB ASN A 799 7.725 -1.515 -4.044 1.00 0.30 C ATOM 386 CG ASN A 799 8.952 -0.847 -3.450 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.015 0.476 -3.544 1.00 0.81 O flip ATOM 388 ND2 ASN A 799 9.833 -1.515 -2.910 1.00 0.78 N flip ATOM 0 H ASN A 799 5.521 -2.496 -3.617 1.00 0.25 H new ATOM 0 HA ASN A 799 6.558 0.014 -3.077 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.555 -2.466 -3.539 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.913 -1.740 -5.094 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.745 -2.530 -2.859 1.00 0.78 H new ATOM 0 HD22 ASN A 799 10.652 -1.054 -2.513 1.00 0.78 H new ATOM 395 N SER A 800 5.526 -0.292 -6.142 1.00 0.22 N ATOM 396 CA SER A 800 5.300 0.433 -7.388 1.00 0.25 C ATOM 397 C SER A 800 4.291 1.561 -7.192 1.00 0.28 C ATOM 398 O SER A 800 4.338 2.575 -7.890 1.00 0.33 O ATOM 399 CB SER A 800 4.808 -0.525 -8.477 1.00 0.28 C ATOM 400 OG SER A 800 3.399 -0.461 -8.614 1.00 0.98 O ATOM 0 H SER A 800 5.039 -1.186 -6.078 1.00 0.22 H new ATOM 0 HA SER A 800 6.248 0.872 -7.699 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.281 -0.274 -9.427 1.00 0.28 H new ATOM 0 HB3 SER A 800 5.107 -1.544 -8.231 1.00 0.28 H new ATOM 0 HG SER A 800 2.975 -0.889 -7.841 1.00 0.98 H new ATOM 406 N LYS A 801 3.375 1.377 -6.246 1.00 0.30 N ATOM 407 CA LYS A 801 2.353 2.381 -5.969 1.00 0.37 C ATOM 408 C LYS A 801 2.790 3.332 -4.857 1.00 0.40 C ATOM 409 O LYS A 801 2.134 4.343 -4.603 1.00 0.49 O ATOM 410 CB LYS A 801 1.037 1.703 -5.586 1.00 0.42 C ATOM 411 CG LYS A 801 0.150 1.382 -6.778 1.00 0.67 C ATOM 412 CD LYS A 801 -0.707 2.573 -7.169 1.00 1.05 C ATOM 413 CE LYS A 801 -0.115 3.325 -8.350 1.00 1.43 C ATOM 414 NZ LYS A 801 -0.283 2.578 -9.628 1.00 2.25 N ATOM 0 H LYS A 801 3.319 0.544 -5.660 1.00 0.30 H new ATOM 0 HA LYS A 801 2.208 2.966 -6.877 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.256 0.781 -5.048 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.490 2.350 -4.900 1.00 0.42 H new ATOM 0 HG2 LYS A 801 0.769 1.084 -7.624 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.491 0.534 -6.538 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -1.711 2.232 -7.420 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.803 3.248 -6.318 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -0.593 4.301 -8.435 1.00 1.43 H new ATOM 0 HE3 LYS A 801 0.945 3.504 -8.171 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -0.071 3.207 -10.428 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 0.367 1.767 -9.644 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -1.263 2.238 -9.705 1.00 2.25 H new ATOM 428 N ILE A 802 3.896 3.006 -4.197 1.00 0.39 N ATOM 429 CA ILE A 802 4.409 3.839 -3.114 1.00 0.45 C ATOM 430 C ILE A 802 5.568 4.712 -3.588 1.00 0.50 C ATOM 431 O ILE A 802 5.767 5.821 -3.091 1.00 0.60 O ATOM 432 CB ILE A 802 4.872 2.987 -1.916 1.00 0.47 C ATOM 433 CG1 ILE A 802 6.096 2.154 -2.292 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.742 2.091 -1.433 1.00 0.49 C ATOM 435 CD1 ILE A 802 7.307 2.441 -1.432 1.00 0.75 C ATOM 0 H ILE A 802 4.453 2.174 -4.392 1.00 0.39 H new ATOM 0 HA ILE A 802 3.587 4.479 -2.794 1.00 0.45 H new ATOM 0 HB ILE A 802 5.151 3.657 -1.103 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.845 1.096 -2.211 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.348 2.343 -3.336 1.00 0.42 H new ATOM 0 HG21 ILE A 802 4.086 1.496 -0.587 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.896 2.706 -1.125 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.433 1.428 -2.241 1.00 0.49 H new ATOM 0 HD11 ILE A 802 8.139 1.815 -1.754 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.583 3.491 -1.531 1.00 0.75 H new ATOM 0 HD13 ILE A 802 7.073 2.225 -0.390 1.00 0.75 H new ATOM 447 N SER A 803 6.328 4.207 -4.555 1.00 0.45 N ATOM 448 CA SER A 803 7.467 4.941 -5.097 1.00 0.53 C ATOM 449 C SER A 803 7.487 4.863 -6.621 1.00 0.61 C ATOM 450 O SER A 803 8.393 4.273 -7.213 1.00 1.19 O ATOM 451 CB SER A 803 8.775 4.389 -4.528 1.00 0.60 C ATOM 452 OG SER A 803 8.909 3.006 -4.804 1.00 1.53 O ATOM 0 H SER A 803 6.176 3.292 -4.980 1.00 0.45 H new ATOM 0 HA SER A 803 7.367 5.986 -4.805 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.618 4.931 -4.955 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.804 4.552 -3.451 1.00 0.60 H new ATOM 0 HG SER A 803 8.026 2.622 -4.988 1.00 1.53 H new ATOM 576 N PRO A 812 12.107 3.983 -0.730 1.00 0.70 N ATOM 577 CA PRO A 812 11.065 2.952 -0.823 1.00 0.66 C ATOM 578 C PRO A 812 10.772 2.298 0.525 1.00 0.62 C ATOM 579 O PRO A 812 11.505 2.491 1.494 1.00 0.73 O ATOM 580 CB PRO A 812 11.658 1.924 -1.793 1.00 0.70 C ATOM 581 CG PRO A 812 12.683 2.675 -2.570 1.00 0.95 C ATOM 582 CD PRO A 812 13.239 3.705 -1.629 1.00 0.77 C ATOM 0 HA PRO A 812 10.114 3.370 -1.153 1.00 0.66 H new ATOM 0 HB2 PRO A 812 12.104 1.087 -1.257 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.891 1.511 -2.448 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.468 2.009 -2.928 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.240 3.146 -3.448 1.00 0.95 H new ATOM 0 HD2 PRO A 812 14.104 3.327 -1.083 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.563 4.601 -2.158 1.00 0.77 H new ATOM 590 N ILE A 813 9.693 1.521 0.575 1.00 0.62 N ATOM 591 CA ILE A 813 9.297 0.832 1.799 1.00 0.61 C ATOM 592 C ILE A 813 9.285 -0.679 1.591 1.00 0.59 C ATOM 593 O ILE A 813 9.250 -1.155 0.455 1.00 0.75 O ATOM 594 CB ILE A 813 7.902 1.287 2.276 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.701 2.785 2.014 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.713 0.971 3.753 1.00 1.05 C ATOM 597 CD1 ILE A 813 8.652 3.676 2.784 1.00 1.94 C ATOM 0 H ILE A 813 9.076 1.353 -0.220 1.00 0.62 H new ATOM 0 HA ILE A 813 10.031 1.088 2.562 1.00 0.61 H new ATOM 0 HB ILE A 813 7.151 0.738 1.708 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.822 2.977 0.948 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.677 3.055 2.272 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.724 1.299 4.072 1.00 1.05 H new ATOM 0 HG22 ILE A 813 7.807 -0.104 3.910 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.473 1.491 4.336 1.00 1.05 H new ATOM 0 HD11 ILE A 813 8.447 4.720 2.545 1.00 1.94 H new ATOM 0 HD12 ILE A 813 8.516 3.515 3.853 1.00 1.94 H new ATOM 0 HD13 ILE A 813 9.679 3.436 2.509 1.00 1.94 H new ATOM 609 N THR A 814 9.312 -1.430 2.688 1.00 0.49 N ATOM 610 CA THR A 814 9.304 -2.887 2.612 1.00 0.49 C ATOM 611 C THR A 814 8.257 -3.489 3.549 1.00 0.47 C ATOM 612 O THR A 814 7.320 -4.150 3.101 1.00 0.54 O ATOM 613 CB THR A 814 10.686 -3.482 2.951 1.00 0.53 C ATOM 614 OG1 THR A 814 10.546 -4.850 3.355 1.00 1.16 O ATOM 615 CG2 THR A 814 11.367 -2.691 4.059 1.00 1.07 C ATOM 0 H THR A 814 9.340 -1.056 3.636 1.00 0.49 H new ATOM 0 HA THR A 814 9.052 -3.142 1.583 1.00 0.49 H new ATOM 0 HB THR A 814 11.305 -3.426 2.056 1.00 0.53 H new ATOM 0 HG1 THR A 814 11.428 -5.220 3.567 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.339 -3.133 4.277 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.502 -1.658 3.738 1.00 1.07 H new ATOM 0 HG23 THR A 814 10.748 -2.715 4.956 1.00 1.07 H new ATOM 623 N LYS A 815 8.423 -3.256 4.848 1.00 0.42 N ATOM 624 CA LYS A 815 7.491 -3.781 5.842 1.00 0.42 C ATOM 625 C LYS A 815 6.261 -2.887 5.959 1.00 0.40 C ATOM 626 O LYS A 815 6.361 -1.663 5.882 1.00 0.48 O ATOM 627 CB LYS A 815 8.178 -3.905 7.202 1.00 0.49 C ATOM 628 CG LYS A 815 7.873 -5.210 7.921 1.00 0.89 C ATOM 629 CD LYS A 815 9.121 -6.063 8.077 1.00 1.30 C ATOM 630 CE LYS A 815 9.367 -6.427 9.533 1.00 1.97 C ATOM 631 NZ LYS A 815 10.691 -5.939 10.011 1.00 2.69 N ATOM 0 H LYS A 815 9.191 -2.709 5.236 1.00 0.42 H new ATOM 0 HA LYS A 815 7.169 -4.770 5.515 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.256 -3.819 7.064 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.870 -3.071 7.833 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.452 -4.996 8.903 1.00 0.89 H new ATOM 0 HG3 LYS A 815 7.118 -5.766 7.365 1.00 0.89 H new ATOM 0 HD2 LYS A 815 9.018 -6.973 7.486 1.00 1.30 H new ATOM 0 HD3 LYS A 815 9.983 -5.524 7.685 1.00 1.30 H new ATOM 0 HE2 LYS A 815 8.578 -6.001 10.152 1.00 1.97 H new ATOM 0 HE3 LYS A 815 9.315 -7.509 9.651 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 10.821 -6.207 11.007 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 11.446 -6.365 9.437 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 10.732 -4.904 9.923 1.00 2.69 H new ATOM 645 N ILE A 816 5.100 -3.511 6.148 1.00 0.36 N ATOM 646 CA ILE A 816 3.846 -2.772 6.274 1.00 0.38 C ATOM 647 C ILE A 816 2.807 -3.574 7.050 1.00 0.33 C ATOM 648 O ILE A 816 2.980 -4.769 7.290 1.00 0.37 O ATOM 649 CB ILE A 816 3.261 -2.408 4.895 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.710 -3.416 3.834 1.00 0.59 C ATOM 651 CG2 ILE A 816 3.675 -0.999 4.500 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.020 -4.760 3.942 1.00 0.53 C ATOM 0 H ILE A 816 5.002 -4.524 6.217 1.00 0.36 H new ATOM 0 HA ILE A 816 4.079 -1.856 6.817 1.00 0.38 H new ATOM 0 HB ILE A 816 2.174 -2.445 4.962 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.520 -2.998 2.845 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.787 -3.562 3.917 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.254 -0.756 3.524 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.306 -0.290 5.241 1.00 0.84 H new ATOM 0 HG23 ILE A 816 4.762 -0.939 4.451 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.388 -5.422 3.158 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.230 -5.200 4.917 1.00 0.53 H new ATOM 0 HD13 ILE A 816 1.944 -4.627 3.828 1.00 0.53 H new ATOM 664 N LYS A 817 1.724 -2.905 7.437 1.00 0.32 N ATOM 665 CA LYS A 817 0.648 -3.548 8.182 1.00 0.31 C ATOM 666 C LYS A 817 -0.562 -3.782 7.282 1.00 0.32 C ATOM 667 O LYS A 817 -0.804 -3.017 6.348 1.00 0.59 O ATOM 668 CB LYS A 817 0.243 -2.690 9.382 1.00 0.37 C ATOM 669 CG LYS A 817 1.326 -2.578 10.443 1.00 0.39 C ATOM 670 CD LYS A 817 0.946 -3.336 11.703 1.00 0.38 C ATOM 671 CE LYS A 817 1.764 -2.878 12.901 1.00 0.50 C ATOM 672 NZ LYS A 817 1.374 -3.597 14.147 1.00 0.85 N ATOM 0 H LYS A 817 1.569 -1.915 7.246 1.00 0.32 H new ATOM 0 HA LYS A 817 1.011 -4.511 8.541 1.00 0.31 H new ATOM 0 HB2 LYS A 817 -0.016 -1.691 9.033 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.654 -3.113 9.834 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.265 -2.969 10.050 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.494 -1.528 10.684 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.114 -3.191 11.909 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.097 -4.404 11.545 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.823 -3.044 12.702 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.630 -1.806 13.043 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 2.193 -3.656 14.785 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.604 -3.081 14.619 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 1.052 -4.556 13.908 1.00 0.85 H new ATOM 686 N TYR A 818 -1.320 -4.836 7.564 1.00 0.23 N ATOM 687 CA TYR A 818 -2.503 -5.157 6.770 1.00 0.22 C ATOM 688 C TYR A 818 -3.716 -5.418 7.660 1.00 0.23 C ATOM 689 O TYR A 818 -3.589 -5.538 8.876 1.00 0.31 O ATOM 690 CB TYR A 818 -2.232 -6.364 5.870 1.00 0.26 C ATOM 691 CG TYR A 818 -2.084 -7.675 6.612 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.012 -7.891 7.467 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.024 -8.688 6.470 1.00 0.41 C ATOM 694 CE1 TYR A 818 -0.876 -9.081 8.155 1.00 0.58 C ATOM 695 CE2 TYR A 818 -2.897 -9.879 7.157 1.00 0.51 C ATOM 696 CZ TYR A 818 -1.809 -10.095 7.953 1.00 0.56 C ATOM 697 OH TYR A 818 -1.692 -11.257 8.684 1.00 0.71 O ATOM 0 H TYR A 818 -1.138 -5.481 8.333 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.728 -4.294 6.143 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.047 -6.457 5.152 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.323 -6.179 5.298 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.272 -7.115 7.596 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -3.868 -8.542 5.812 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.055 -9.224 8.842 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -3.658 -10.640 7.065 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.413 -11.873 8.437 1.00 0.71 H new ATOM 707 N GLN A 819 -4.888 -5.501 7.040 1.00 0.27 N ATOM 708 CA GLN A 819 -6.127 -5.741 7.765 1.00 0.34 C ATOM 709 C GLN A 819 -6.435 -7.230 7.835 1.00 0.40 C ATOM 710 O GLN A 819 -6.820 -7.846 6.840 1.00 0.45 O ATOM 711 CB GLN A 819 -7.285 -4.999 7.097 1.00 0.44 C ATOM 712 CG GLN A 819 -8.533 -4.914 7.962 1.00 0.56 C ATOM 713 CD GLN A 819 -9.790 -5.311 7.213 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.730 -5.788 6.080 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.942 -5.113 7.845 1.00 1.44 N ATOM 0 H GLN A 819 -5.004 -5.405 6.031 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.003 -5.366 8.781 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.960 -3.990 6.842 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.535 -5.499 6.161 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.413 -5.561 8.831 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.643 -3.896 8.335 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.947 -4.715 8.784 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.822 -5.359 7.391 1.00 1.44 H new ATOM 724 N ASP A 820 -6.258 -7.799 9.018 1.00 0.43 N ATOM 725 CA ASP A 820 -6.513 -9.220 9.233 1.00 0.53 C ATOM 726 C ASP A 820 -8.007 -9.489 9.390 1.00 0.62 C ATOM 727 O ASP A 820 -8.814 -8.559 9.438 1.00 0.65 O ATOM 728 CB ASP A 820 -5.764 -9.709 10.473 1.00 0.58 C ATOM 729 CG ASP A 820 -5.535 -11.208 10.457 1.00 1.13 C ATOM 730 OD1 ASP A 820 -4.992 -11.714 9.453 1.00 1.80 O ATOM 731 OD2 ASP A 820 -5.897 -11.874 11.449 1.00 1.34 O ATOM 0 H ASP A 820 -5.938 -7.299 9.847 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.155 -9.764 8.359 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -4.803 -9.198 10.539 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.330 -9.440 11.365 1.00 0.58 H new ATOM 736 N GLU A 821 -8.370 -10.767 9.466 1.00 0.71 N ATOM 737 CA GLU A 821 -9.767 -11.161 9.616 1.00 0.82 C ATOM 738 C GLU A 821 -10.295 -10.825 11.008 1.00 0.83 C ATOM 739 O GLU A 821 -11.452 -11.099 11.324 1.00 0.97 O ATOM 740 CB GLU A 821 -9.931 -12.659 9.352 1.00 0.96 C ATOM 741 CG GLU A 821 -9.209 -13.539 10.361 1.00 1.10 C ATOM 742 CD GLU A 821 -9.189 -14.999 9.951 1.00 1.30 C ATOM 743 OE1 GLU A 821 -8.819 -15.285 8.793 1.00 1.62 O ATOM 744 OE2 GLU A 821 -9.542 -15.856 10.788 1.00 1.53 O ATOM 0 H GLU A 821 -7.715 -11.548 9.426 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.347 -10.599 8.884 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -10.992 -12.907 9.361 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -9.559 -12.886 8.353 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.185 -13.185 10.480 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.694 -13.445 11.333 1.00 1.10 H new ATOM 751 N ASP A 822 -9.443 -10.230 11.835 1.00 0.79 N ATOM 752 CA ASP A 822 -9.829 -9.861 13.190 1.00 0.81 C ATOM 753 C ASP A 822 -10.182 -8.379 13.268 1.00 0.73 C ATOM 754 O ASP A 822 -10.287 -7.813 14.356 1.00 0.78 O ATOM 755 CB ASP A 822 -8.698 -10.178 14.170 1.00 0.86 C ATOM 756 CG ASP A 822 -9.150 -11.080 15.304 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.275 -10.879 15.808 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.378 -11.984 15.686 1.00 1.56 O ATOM 0 H ASP A 822 -8.481 -9.993 11.590 1.00 0.79 H new ATOM 0 HA ASP A 822 -10.710 -10.443 13.462 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -7.879 -10.657 13.633 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -8.307 -9.248 14.583 1.00 0.86 H new ATOM 763 N GLY A 823 -10.362 -7.758 12.105 1.00 0.68 N ATOM 764 CA GLY A 823 -10.700 -6.347 12.060 1.00 0.70 C ATOM 765 C GLY A 823 -9.695 -5.492 12.803 1.00 0.67 C ATOM 766 O GLY A 823 -10.058 -4.733 13.702 1.00 0.88 O ATOM 0 H GLY A 823 -10.280 -8.208 11.193 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -10.753 -6.021 11.021 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.690 -6.199 12.492 1.00 0.70 H new ATOM 770 N ASP A 824 -8.425 -5.619 12.428 1.00 0.54 N ATOM 771 CA ASP A 824 -7.358 -4.860 13.061 1.00 0.57 C ATOM 772 C ASP A 824 -6.047 -5.051 12.309 1.00 0.55 C ATOM 773 O ASP A 824 -5.686 -6.169 11.936 1.00 0.93 O ATOM 774 CB ASP A 824 -7.187 -5.290 14.519 1.00 0.65 C ATOM 775 CG ASP A 824 -6.847 -4.126 15.429 1.00 1.15 C ATOM 776 OD1 ASP A 824 -7.761 -3.342 15.758 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.666 -4.001 15.815 1.00 1.48 O ATOM 0 H ASP A 824 -8.112 -6.244 11.685 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.629 -3.805 13.033 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.106 -5.762 14.866 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.399 -6.040 14.584 1.00 0.65 H new ATOM 782 N PHE A 825 -5.340 -3.952 12.091 1.00 0.42 N ATOM 783 CA PHE A 825 -4.065 -3.988 11.387 1.00 0.37 C ATOM 784 C PHE A 825 -3.036 -4.798 12.167 1.00 0.38 C ATOM 785 O PHE A 825 -2.856 -4.596 13.369 1.00 0.44 O ATOM 786 CB PHE A 825 -3.546 -2.568 11.155 1.00 0.39 C ATOM 787 CG PHE A 825 -4.389 -1.773 10.201 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.471 -2.133 8.866 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.097 -0.665 10.638 1.00 0.59 C ATOM 790 CE1 PHE A 825 -5.242 -1.400 7.984 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.872 0.070 9.761 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.956 -0.304 8.437 1.00 0.52 C ATOM 0 H PHE A 825 -5.628 -3.021 12.392 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.224 -4.470 10.423 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.501 -2.045 12.110 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.527 -2.620 10.771 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.927 -2.996 8.511 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.043 -0.372 11.676 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -5.287 -1.682 6.942 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.412 0.937 10.113 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.577 0.257 7.755 1.00 0.52 H new ATOM 802 N VAL A 826 -2.362 -5.711 11.477 1.00 0.38 N ATOM 803 CA VAL A 826 -1.349 -6.548 12.106 1.00 0.45 C ATOM 804 C VAL A 826 -0.039 -6.485 11.332 1.00 0.36 C ATOM 805 O VAL A 826 0.064 -5.775 10.331 1.00 0.31 O ATOM 806 CB VAL A 826 -1.812 -8.014 12.204 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.723 -8.210 13.404 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.512 -8.439 10.924 1.00 0.79 C ATOM 0 H VAL A 826 -2.499 -5.890 10.482 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.193 -6.162 13.113 1.00 0.45 H new ATOM 0 HB VAL A 826 -0.932 -8.643 12.339 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.039 -9.252 13.455 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.185 -7.949 14.315 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.600 -7.570 13.304 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -2.832 -9.477 11.012 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.382 -7.804 10.757 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.825 -8.341 10.084 1.00 0.79 H new ATOM 818 N VAL A 827 0.960 -7.224 11.798 1.00 0.37 N ATOM 819 CA VAL A 827 2.263 -7.237 11.145 1.00 0.33 C ATOM 820 C VAL A 827 2.415 -8.450 10.239 1.00 0.30 C ATOM 821 O VAL A 827 2.394 -9.592 10.698 1.00 0.35 O ATOM 822 CB VAL A 827 3.407 -7.229 12.171 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.697 -6.743 11.528 1.00 0.52 C ATOM 824 CG2 VAL A 827 3.046 -6.373 13.375 1.00 0.56 C ATOM 0 H VAL A 827 0.894 -7.820 12.623 1.00 0.37 H new ATOM 0 HA VAL A 827 2.320 -6.330 10.543 1.00 0.33 H new ATOM 0 HB VAL A 827 3.563 -8.250 12.519 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.496 -6.744 12.269 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.965 -7.405 10.705 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.556 -5.731 11.148 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.870 -6.382 14.088 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.858 -5.350 13.051 1.00 0.56 H new ATOM 0 HG23 VAL A 827 2.151 -6.773 13.851 1.00 0.56 H new ATOM 834 N LEU A 828 2.569 -8.189 8.945 1.00 0.26 N ATOM 835 CA LEU A 828 2.727 -9.251 7.961 1.00 0.28 C ATOM 836 C LEU A 828 4.160 -9.773 7.957 1.00 0.46 C ATOM 837 O LEU A 828 5.078 -9.093 7.497 1.00 0.60 O ATOM 838 CB LEU A 828 2.351 -8.742 6.567 1.00 0.31 C ATOM 839 CG LEU A 828 1.575 -9.734 5.700 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.942 -9.026 4.512 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.487 -10.856 5.230 1.00 0.81 C ATOM 0 H LEU A 828 2.588 -7.247 8.554 1.00 0.26 H new ATOM 0 HA LEU A 828 2.060 -10.070 8.231 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.755 -7.836 6.677 1.00 0.31 H new ATOM 0 HB3 LEU A 828 3.264 -8.461 6.042 1.00 0.31 H new ATOM 0 HG LEU A 828 0.778 -10.168 6.303 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.394 -9.749 3.907 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.256 -8.258 4.869 1.00 0.66 H new ATOM 0 HD13 LEU A 828 1.721 -8.563 3.907 1.00 0.66 H new ATOM 0 HD21 LEU A 828 1.919 -11.553 4.614 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.306 -10.438 4.644 1.00 0.81 H new ATOM 0 HD23 LEU A 828 2.892 -11.382 6.095 1.00 0.81 H new ATOM 853 N GLY A 829 4.342 -10.985 8.477 1.00 0.58 N ATOM 854 CA GLY A 829 5.665 -11.581 8.530 1.00 0.81 C ATOM 855 C GLY A 829 6.319 -11.675 7.166 1.00 0.49 C ATOM 856 O GLY A 829 7.316 -11.003 6.902 1.00 0.45 O ATOM 0 H GLY A 829 3.596 -11.564 8.862 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.299 -10.991 9.192 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.593 -12.579 8.963 1.00 0.81 H new ATOM 860 N SER A 830 5.757 -12.513 6.298 1.00 0.35 N ATOM 861 CA SER A 830 6.293 -12.698 4.954 1.00 0.23 C ATOM 862 C SER A 830 5.369 -13.595 4.130 1.00 0.19 C ATOM 863 O SER A 830 4.148 -13.455 4.190 1.00 0.20 O ATOM 864 CB SER A 830 7.700 -13.302 5.023 1.00 0.45 C ATOM 865 OG SER A 830 8.617 -12.550 4.247 1.00 1.31 O ATOM 0 H SER A 830 4.930 -13.074 6.503 1.00 0.35 H new ATOM 0 HA SER A 830 6.354 -11.725 4.467 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.036 -13.332 6.060 1.00 0.45 H new ATOM 0 HB3 SER A 830 7.675 -14.331 4.666 1.00 0.45 H new ATOM 0 HG SER A 830 8.132 -12.064 3.548 1.00 1.31 H new ATOM 871 N ASP A 831 5.955 -14.515 3.366 1.00 0.18 N ATOM 872 CA ASP A 831 5.174 -15.429 2.540 1.00 0.18 C ATOM 873 C ASP A 831 4.234 -16.268 3.402 1.00 0.17 C ATOM 874 O ASP A 831 3.289 -16.875 2.896 1.00 0.22 O ATOM 875 CB ASP A 831 6.104 -16.342 1.740 1.00 0.23 C ATOM 876 CG ASP A 831 5.353 -17.199 0.740 1.00 1.33 C ATOM 877 OD1 ASP A 831 4.925 -16.659 -0.302 1.00 2.20 O ATOM 878 OD2 ASP A 831 5.192 -18.410 0.998 1.00 1.77 O ATOM 0 H ASP A 831 6.965 -14.646 3.303 1.00 0.18 H new ATOM 0 HA ASP A 831 4.574 -14.838 1.849 1.00 0.18 H new ATOM 0 HB2 ASP A 831 6.840 -15.735 1.213 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.654 -16.986 2.426 1.00 0.23 H new ATOM 883 N GLU A 832 4.498 -16.293 4.705 1.00 0.18 N ATOM 884 CA GLU A 832 3.673 -17.053 5.639 1.00 0.21 C ATOM 885 C GLU A 832 2.323 -16.379 5.842 1.00 0.19 C ATOM 886 O GLU A 832 1.292 -16.891 5.404 1.00 0.19 O ATOM 887 CB GLU A 832 4.391 -17.201 6.982 1.00 0.26 C ATOM 888 CG GLU A 832 5.005 -18.574 7.198 1.00 0.92 C ATOM 889 CD GLU A 832 6.061 -18.575 8.285 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.142 -17.988 8.063 1.00 2.21 O ATOM 891 OE2 GLU A 832 5.808 -19.160 9.358 1.00 1.63 O ATOM 0 H GLU A 832 5.276 -15.796 5.138 1.00 0.18 H new ATOM 0 HA GLU A 832 3.504 -18.043 5.215 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.175 -16.447 7.050 1.00 0.26 H new ATOM 0 HB3 GLU A 832 3.684 -16.998 7.786 1.00 0.26 H new ATOM 0 HG2 GLU A 832 4.219 -19.283 7.459 1.00 0.92 H new ATOM 0 HG3 GLU A 832 5.449 -18.920 6.265 1.00 0.92 H new ATOM 898 N ASP A 833 2.333 -15.227 6.505 1.00 0.19 N ATOM 899 CA ASP A 833 1.105 -14.486 6.757 1.00 0.19 C ATOM 900 C ASP A 833 0.470 -14.045 5.447 1.00 0.18 C ATOM 901 O ASP A 833 -0.684 -13.621 5.421 1.00 0.18 O ATOM 902 CB ASP A 833 1.384 -13.273 7.643 1.00 0.22 C ATOM 903 CG ASP A 833 1.274 -13.600 9.120 1.00 0.41 C ATOM 904 OD1 ASP A 833 0.137 -13.640 9.636 1.00 0.73 O ATOM 905 OD2 ASP A 833 2.324 -13.815 9.760 1.00 0.73 O ATOM 0 H ASP A 833 3.176 -14.788 6.876 1.00 0.19 H new ATOM 0 HA ASP A 833 0.409 -15.144 7.277 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.384 -12.893 7.431 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.682 -12.477 7.396 1.00 0.22 H new ATOM 910 N TRP A 834 1.223 -14.161 4.361 1.00 0.17 N ATOM 911 CA TRP A 834 0.714 -13.786 3.050 1.00 0.17 C ATOM 912 C TRP A 834 -0.067 -14.942 2.439 1.00 0.17 C ATOM 913 O TRP A 834 -1.116 -14.741 1.828 1.00 0.19 O ATOM 914 CB TRP A 834 1.852 -13.362 2.122 1.00 0.19 C ATOM 915 CG TRP A 834 1.386 -12.854 0.786 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.008 -13.041 -0.412 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.208 -12.081 0.509 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.301 -12.428 -1.417 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.189 -11.837 -0.879 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.832 -11.572 1.294 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.827 -11.109 -1.493 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.840 -10.848 0.683 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.829 -10.624 -0.699 1.00 0.26 C ATOM 0 H TRP A 834 2.182 -14.509 4.362 1.00 0.17 H new ATOM 0 HA TRP A 834 0.044 -12.935 3.174 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.438 -12.584 2.612 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.517 -14.211 1.966 1.00 0.19 H new ATOM 0 HD1 TRP A 834 2.926 -13.593 -0.551 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.562 -12.415 -2.403 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.848 -11.742 2.360 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.824 -10.934 -2.559 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.647 -10.450 1.280 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.630 -10.055 -1.148 1.00 0.26 H new ATOM 934 N ASN A 835 0.443 -16.156 2.629 1.00 0.18 N ATOM 935 CA ASN A 835 -0.219 -17.348 2.114 1.00 0.20 C ATOM 936 C ASN A 835 -1.500 -17.607 2.897 1.00 0.20 C ATOM 937 O ASN A 835 -2.496 -18.082 2.350 1.00 0.23 O ATOM 938 CB ASN A 835 0.716 -18.561 2.202 1.00 0.23 C ATOM 939 CG ASN A 835 0.407 -19.465 3.380 1.00 1.38 C ATOM 940 OD1 ASN A 835 1.218 -19.371 4.427 1.00 1.90 O flip ATOM 941 ND2 ASN A 835 -0.548 -20.242 3.349 1.00 1.98 N flip ATOM 0 H ASN A 835 1.310 -16.339 3.134 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.472 -17.186 1.066 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.642 -19.137 1.280 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.746 -18.214 2.279 1.00 0.23 H new ATOM 0 HD21 ASN A 835 -1.146 -20.282 2.524 1.00 1.98 H new ATOM 0 HD22 ASN A 835 -0.741 -20.845 4.148 1.00 1.98 H new ATOM 948 N VAL A 836 -1.463 -17.269 4.181 1.00 0.20 N ATOM 949 CA VAL A 836 -2.613 -17.441 5.058 1.00 0.22 C ATOM 950 C VAL A 836 -3.659 -16.375 4.768 1.00 0.22 C ATOM 951 O VAL A 836 -4.811 -16.688 4.469 1.00 0.27 O ATOM 952 CB VAL A 836 -2.208 -17.365 6.543 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.425 -17.538 7.442 1.00 0.67 C ATOM 954 CG2 VAL A 836 -1.151 -18.409 6.863 1.00 0.62 C ATOM 0 H VAL A 836 -0.643 -16.872 4.639 1.00 0.20 H new ATOM 0 HA VAL A 836 -3.029 -18.430 4.863 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.783 -16.379 6.732 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -3.117 -17.481 8.486 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -4.147 -16.749 7.233 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.883 -18.508 7.251 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.878 -18.340 7.916 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.547 -19.403 6.656 1.00 0.62 H new ATOM 0 HG23 VAL A 836 -0.269 -18.234 6.247 1.00 0.62 H new ATOM 964 N ALA A 837 -3.248 -15.110 4.848 1.00 0.20 N ATOM 965 CA ALA A 837 -4.156 -14.002 4.579 1.00 0.20 C ATOM 966 C ALA A 837 -4.769 -14.142 3.190 1.00 0.20 C ATOM 967 O ALA A 837 -5.878 -13.670 2.939 1.00 0.21 O ATOM 968 CB ALA A 837 -3.434 -12.669 4.708 1.00 0.22 C ATOM 0 H ALA A 837 -2.299 -14.831 5.095 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.957 -14.030 5.318 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -4.131 -11.856 4.503 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -3.042 -12.564 5.720 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.611 -12.630 3.994 1.00 0.22 H new ATOM 974 N LYS A 838 -4.041 -14.806 2.295 1.00 0.21 N ATOM 975 CA LYS A 838 -4.517 -15.023 0.932 1.00 0.24 C ATOM 976 C LYS A 838 -5.731 -15.940 0.935 1.00 0.24 C ATOM 977 O LYS A 838 -6.768 -15.616 0.353 1.00 0.26 O ATOM 978 CB LYS A 838 -3.408 -15.628 0.066 1.00 0.28 C ATOM 979 CG LYS A 838 -2.691 -14.609 -0.805 1.00 0.38 C ATOM 980 CD LYS A 838 -1.751 -15.283 -1.793 1.00 0.49 C ATOM 981 CE LYS A 838 -0.552 -15.904 -1.091 1.00 0.68 C ATOM 982 NZ LYS A 838 0.362 -16.586 -2.048 1.00 0.85 N ATOM 0 H LYS A 838 -3.121 -15.202 2.489 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.803 -14.059 0.512 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.680 -16.117 0.713 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.837 -16.401 -0.572 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.424 -14.013 -1.348 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.126 -13.923 -0.174 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.291 -16.054 -2.342 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.407 -14.552 -2.525 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.004 -15.129 -0.556 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.899 -16.621 -0.347 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 1.090 -17.109 -1.520 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.183 -17.249 -2.636 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.818 -15.877 -2.657 1.00 0.85 H new ATOM 996 N GLU A 839 -5.600 -17.083 1.601 1.00 0.26 N ATOM 997 CA GLU A 839 -6.692 -18.044 1.691 1.00 0.29 C ATOM 998 C GLU A 839 -7.896 -17.409 2.377 1.00 0.27 C ATOM 999 O GLU A 839 -9.042 -17.779 2.119 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.248 -19.291 2.457 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.185 -20.541 1.595 1.00 0.71 C ATOM 1002 CD GLU A 839 -5.452 -21.682 2.273 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -4.205 -21.648 2.309 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -6.127 -22.610 2.767 1.00 1.82 O ATOM 0 H GLU A 839 -4.748 -17.366 2.086 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.976 -18.340 0.681 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.265 -19.110 2.893 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.936 -19.464 3.284 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -7.198 -20.860 1.350 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -5.689 -20.304 0.654 1.00 0.71 H new ATOM 1011 N MET A 840 -7.621 -16.440 3.244 1.00 0.25 N ATOM 1012 CA MET A 840 -8.672 -15.733 3.965 1.00 0.24 C ATOM 1013 C MET A 840 -9.449 -14.829 3.012 1.00 0.24 C ATOM 1014 O MET A 840 -10.664 -14.678 3.134 1.00 0.27 O ATOM 1015 CB MET A 840 -8.060 -14.910 5.105 1.00 0.24 C ATOM 1016 CG MET A 840 -8.895 -13.711 5.525 1.00 0.26 C ATOM 1017 SD MET A 840 -7.996 -12.585 6.608 1.00 0.30 S ATOM 1018 CE MET A 840 -7.223 -11.499 5.411 1.00 0.27 C ATOM 0 H MET A 840 -6.676 -16.126 3.464 1.00 0.25 H new ATOM 0 HA MET A 840 -9.363 -16.461 4.390 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.915 -15.558 5.969 1.00 0.24 H new ATOM 0 HB3 MET A 840 -7.074 -14.562 4.798 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.221 -13.171 4.636 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.794 -14.059 6.034 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.240 -11.199 5.774 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.115 -12.023 4.461 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.843 -10.614 5.269 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.733 -14.237 2.061 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.345 -13.351 1.077 1.00 0.24 C ATOM 1030 C LEU A 841 -10.277 -14.126 0.152 1.00 0.24 C ATOM 1031 O LEU A 841 -11.376 -13.670 -0.161 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.261 -12.646 0.255 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.548 -11.497 0.970 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.328 -11.056 0.177 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.498 -10.328 1.185 1.00 0.38 C ATOM 0 H LEU A 841 -7.726 -14.355 1.951 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.933 -12.604 1.611 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.517 -13.384 -0.045 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.713 -12.260 -0.658 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.216 -11.851 1.946 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.831 -10.238 0.699 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.638 -11.894 0.075 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.639 -10.720 -0.812 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.972 -9.521 1.695 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.861 -9.972 0.221 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.342 -10.652 1.793 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.831 -15.301 -0.282 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.627 -16.139 -1.172 1.00 0.35 C ATOM 1049 C ALA A 842 -11.804 -16.762 -0.436 1.00 0.36 C ATOM 1050 O ALA A 842 -12.819 -17.105 -1.045 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.765 -17.226 -1.784 1.00 0.49 C ATOM 0 H ALA A 842 -8.924 -15.694 -0.032 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.019 -15.504 -1.966 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.373 -17.843 -2.446 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.956 -16.770 -2.355 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.346 -17.847 -0.992 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.668 -16.905 0.877 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.723 -17.485 1.698 1.00 0.42 C ATOM 1059 C GLU A 843 -13.925 -16.550 1.773 1.00 0.53 C ATOM 1060 O GLU A 843 -14.879 -16.806 2.508 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.200 -17.779 3.105 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.710 -19.089 3.682 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.647 -20.169 3.704 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.789 -20.140 4.611 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -11.674 -21.047 2.815 1.00 1.68 O ATOM 0 H GLU A 843 -10.836 -16.627 1.396 1.00 0.34 H new ATOM 0 HA GLU A 843 -13.040 -18.420 1.235 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.110 -17.802 3.081 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.487 -16.963 3.768 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.071 -18.919 4.696 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.561 -19.434 3.094 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.871 -15.465 1.005 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.953 -14.488 0.980 1.00 0.77 C ATOM 1074 C ASN A 844 -15.029 -13.797 -0.377 1.00 0.81 C ATOM 1075 O ASN A 844 -15.586 -12.705 -0.500 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.756 -13.448 2.085 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.051 -14.005 3.464 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -16.211 -14.151 3.851 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.002 -14.322 4.212 1.00 1.05 N ATOM 0 H ASN A 844 -13.088 -15.241 0.391 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.891 -15.017 1.152 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.730 -13.082 2.056 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.405 -12.593 1.895 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.140 -14.703 5.148 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -13.058 -14.184 3.851 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.464 -14.444 -1.395 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.461 -13.902 -2.751 1.00 0.56 C ATOM 1088 C ASN A 845 -13.762 -12.546 -2.801 1.00 0.48 C ATOM 1089 O ASN A 845 -13.892 -11.808 -3.778 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.891 -13.775 -3.280 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.044 -14.344 -4.676 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.327 -13.618 -5.629 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -15.859 -15.654 -4.803 1.00 1.97 N ATOM 0 H ASN A 845 -14.001 -15.348 -1.305 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.908 -14.595 -3.386 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.573 -14.291 -2.604 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.181 -12.724 -3.285 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -15.950 -16.096 -5.718 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -15.626 -16.218 -3.986 1.00 1.97 H new ATOM 1100 N GLU A 846 -13.020 -12.225 -1.746 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.303 -10.958 -1.675 1.00 0.31 C ATOM 1102 C GLU A 846 -11.030 -11.005 -2.513 1.00 0.30 C ATOM 1103 O GLU A 846 -10.630 -12.064 -2.997 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.952 -10.620 -0.224 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.807 -9.514 0.382 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.305 -8.516 -0.647 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -12.504 -7.658 -1.077 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.492 -8.590 -1.022 1.00 1.69 O ATOM 0 H GLU A 846 -12.900 -12.824 -0.930 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.956 -10.182 -2.074 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -12.057 -11.519 0.383 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.904 -10.323 -0.175 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -13.662 -9.961 0.890 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -12.226 -8.987 1.139 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.401 -9.848 -2.678 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.171 -9.748 -3.457 1.00 0.31 C ATOM 1117 C LYS A 847 -8.366 -8.511 -3.065 1.00 0.36 C ATOM 1118 O LYS A 847 -7.158 -8.453 -3.287 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.489 -9.709 -4.954 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.794 -9.004 -5.284 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.422 -9.560 -6.552 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.458 -8.607 -7.124 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.488 -8.235 -6.113 1.00 1.98 N ATOM 0 H LYS A 847 -10.722 -8.964 -2.283 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.569 -10.631 -3.241 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.674 -9.208 -5.476 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.532 -10.730 -5.334 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.490 -9.116 -4.453 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.612 -7.936 -5.405 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.645 -9.743 -7.294 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.889 -10.521 -6.337 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -11.962 -7.706 -7.486 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -12.943 -9.071 -7.983 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -14.403 -8.091 -6.586 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.577 -8.998 -5.412 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -13.204 -7.356 -5.635 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.041 -7.521 -2.484 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.380 -6.290 -2.069 1.00 0.37 C ATOM 1139 C PHE A 848 -7.791 -6.426 -0.668 1.00 0.30 C ATOM 1140 O PHE A 848 -8.505 -6.718 0.291 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.367 -5.122 -2.107 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.153 -5.037 -3.384 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.515 -4.771 -4.585 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.525 -5.223 -3.383 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.235 -4.692 -5.764 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.250 -5.146 -4.558 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.606 -4.885 -5.748 1.00 0.98 C ATOM 0 H PHE A 848 -10.042 -7.549 -2.291 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.564 -6.095 -2.765 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.059 -5.215 -1.270 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.819 -4.190 -1.965 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.445 -4.624 -4.601 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -12.035 -5.431 -2.454 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.729 -4.480 -6.694 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.320 -5.290 -4.543 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.170 -4.831 -6.667 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.485 -6.206 -0.561 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.792 -6.295 0.719 1.00 0.23 C ATOM 1159 C LEU A 849 -5.445 -4.903 1.236 1.00 0.24 C ATOM 1160 O LEU A 849 -4.755 -4.140 0.561 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.521 -7.141 0.568 1.00 0.26 C ATOM 1162 CG LEU A 849 -4.142 -8.002 1.779 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.364 -7.181 2.793 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.378 -8.618 2.424 1.00 0.74 C ATOM 0 H LEU A 849 -5.883 -5.964 -1.348 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.451 -6.775 1.442 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.644 -7.796 -0.295 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.688 -6.474 0.346 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.506 -8.815 1.428 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -3.103 -7.808 3.646 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.453 -6.800 2.331 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.976 -6.345 3.131 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -5.079 -9.223 3.280 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -6.048 -7.825 2.757 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.892 -9.247 1.697 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.940 -4.572 2.428 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.694 -3.262 3.030 1.00 0.29 C ATOM 1178 C ASN A 850 -4.286 -3.172 3.611 1.00 0.30 C ATOM 1179 O ASN A 850 -3.783 -4.133 4.192 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.723 -2.984 4.125 1.00 0.37 C ATOM 1181 CG ASN A 850 -8.050 -2.514 3.564 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.069 -1.302 3.025 1.00 1.52 O flip ATOM 1183 ND2 ASN A 850 -9.048 -3.233 3.614 1.00 0.92 N flip ATOM 0 H ASN A 850 -6.515 -5.194 2.997 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.787 -2.512 2.245 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.880 -3.890 4.711 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.331 -2.228 4.805 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -8.989 -4.159 4.038 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -9.934 -2.903 3.232 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.657 -2.007 3.452 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.309 -1.789 3.964 1.00 0.36 C ATOM 1192 C ILE A 851 -2.170 -0.409 4.596 1.00 0.53 C ATOM 1193 O ILE A 851 -2.875 0.528 4.220 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.248 -1.947 2.870 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.722 -2.976 1.864 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.083 -2.362 3.468 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -1.231 -2.736 0.454 1.00 1.04 C ATOM 0 H ILE A 851 -4.061 -1.202 2.973 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.145 -2.552 4.725 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.104 -0.990 2.369 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -1.393 -3.963 2.188 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -2.812 -2.989 1.860 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.822 -2.468 2.673 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.417 -1.602 4.175 1.00 0.53 H new ATOM 0 HG23 ILE A 851 -0.032 -3.314 3.986 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.615 -3.517 -0.203 1.00 1.04 H new ATOM 0 HD12 ILE A 851 -1.582 -1.764 0.107 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.141 -2.754 0.440 1.00 1.04 H new