USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 782 THR OG1 : rot 131:sc= 0.666 USER MOD Set 1.2: A 819 GLN : amide:sc= -9.31! C(o=-11!,f=-2.8!) USER MOD Set 1.3: A 850 ASN : amide:sc= -2.63! K(o=-11!,f=-2.8) USER MOD Set 2.1: A 835 ASN : amide:sc= 1.12 K(o=-0.29,f=-8.2!) USER MOD Set 2.2: A 838 LYS NZ :NH3+ -142:sc= -1.41 (180deg=-2.87!) USER MOD Set 3.1: A 796 MET CE :methyl 165:sc= -2.37! (180deg=-3.52!) USER MOD Set 3.2: A 799 ASN : amide:sc= -1.56! K(o=-3.9!,f=-2.8) USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 800 SER OG : rot -79:sc= 1.11 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 THR OG1 : rot -83:sc= 0.124 USER MOD Single : A 815 LYS NZ :NH3+ -156:sc= -0.085 (180deg=-0.484) USER MOD Single : A 817 LYS NZ :NH3+ 138:sc= -0.0147 (180deg=-1.85!) USER MOD Single : A 818 TYR OH : rot 165:sc= -0.148 USER MOD Single : A 830 SER OG : rot -10:sc= 0.755 USER MOD Single : A 840 MET CE :methyl -111:sc= -3.12 (180deg=-4.35) USER MOD Single : A 844 ASN : amide:sc= 0.726 K(o=0.73,f=-0.19) USER MOD Single : A 845 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.6) USER MOD Single : A 847 LYS NZ :NH3+ 160:sc= 1.27 (180deg=0.702) USER MOD Single : A 854 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -8.203 -9.558 -0.634 1.00 0.78 N ATOM 15 CA GLU A 779 -8.123 -9.174 -2.032 1.00 0.85 C ATOM 16 C GLU A 779 -6.799 -8.485 -2.308 1.00 0.75 C ATOM 17 O GLU A 779 -6.469 -7.484 -1.672 1.00 1.17 O ATOM 18 CB GLU A 779 -9.281 -8.246 -2.387 1.00 1.60 C ATOM 19 CG GLU A 779 -10.641 -8.893 -2.222 1.00 1.95 C ATOM 20 CD GLU A 779 -11.775 -7.916 -2.421 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.830 -7.285 -3.493 1.00 3.25 O ATOM 22 OE2 GLU A 779 -12.603 -7.758 -1.498 1.00 2.92 O ATOM 0 HA GLU A 779 -8.188 -10.071 -2.648 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -9.231 -7.357 -1.758 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -9.168 -7.913 -3.419 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -10.740 -9.710 -2.937 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -10.713 -9.330 -1.226 1.00 1.95 H new ATOM 29 N ILE A 780 -6.027 -9.040 -3.227 1.00 0.62 N ATOM 30 CA ILE A 780 -4.736 -8.468 -3.556 1.00 0.43 C ATOM 31 C ILE A 780 -4.921 -7.199 -4.384 1.00 0.37 C ATOM 32 O ILE A 780 -5.782 -7.123 -5.265 1.00 0.49 O ATOM 33 CB ILE A 780 -3.821 -9.475 -4.302 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.433 -8.871 -4.557 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.452 -9.919 -5.611 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.657 -8.552 -3.296 1.00 0.51 C ATOM 0 H ILE A 780 -6.270 -9.879 -3.754 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.239 -8.218 -2.619 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.703 -10.351 -3.664 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.852 -9.566 -5.163 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.547 -7.958 -5.141 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.790 -10.624 -6.113 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.409 -10.400 -5.409 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.611 -9.051 -6.251 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.688 -8.129 -3.562 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.215 -7.832 -2.698 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.508 -9.465 -2.719 1.00 0.51 H new ATOM 48 N PHE A 781 -4.142 -6.194 -4.055 1.00 0.28 N ATOM 49 CA PHE A 781 -4.209 -4.908 -4.718 1.00 0.26 C ATOM 50 C PHE A 781 -2.814 -4.538 -5.177 1.00 0.22 C ATOM 51 O PHE A 781 -1.837 -4.928 -4.549 1.00 0.21 O ATOM 52 CB PHE A 781 -4.773 -3.852 -3.756 1.00 0.29 C ATOM 53 CG PHE A 781 -4.861 -2.454 -4.316 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.342 -2.251 -5.598 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.455 -1.351 -3.581 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.423 -0.985 -6.135 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.532 -0.082 -4.116 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.029 0.136 -5.301 1.00 0.52 C ATOM 0 H PHE A 781 -3.440 -6.244 -3.317 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.872 -4.957 -5.581 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.769 -4.164 -3.443 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.151 -3.829 -2.862 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.659 -3.099 -6.187 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.075 -1.487 -2.579 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -5.769 -0.831 -7.146 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.170 0.755 -3.537 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.147 1.147 -5.661 1.00 0.52 H new ATOM 68 N THR A 782 -2.718 -3.892 -6.320 1.00 0.23 N ATOM 69 CA THR A 782 -1.430 -3.572 -6.892 1.00 0.23 C ATOM 70 C THR A 782 -1.371 -2.085 -7.192 1.00 0.23 C ATOM 71 O THR A 782 -2.383 -1.469 -7.533 1.00 0.25 O ATOM 72 CB THR A 782 -1.150 -4.395 -8.171 1.00 0.29 C ATOM 73 OG1 THR A 782 0.184 -4.146 -8.634 1.00 1.39 O ATOM 74 CG2 THR A 782 -2.144 -4.069 -9.277 1.00 1.34 C ATOM 0 H THR A 782 -3.518 -3.579 -6.870 1.00 0.23 H new ATOM 0 HA THR A 782 -0.657 -3.832 -6.168 1.00 0.23 H new ATOM 0 HB THR A 782 -1.260 -5.449 -7.916 1.00 0.29 H new ATOM 0 HG1 THR A 782 0.632 -4.999 -8.814 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.915 -4.667 -10.159 1.00 1.34 H new ATOM 0 HG22 THR A 782 -3.154 -4.296 -8.937 1.00 1.34 H new ATOM 0 HG23 THR A 782 -2.075 -3.010 -9.528 1.00 1.34 H new ATOM 82 N LEU A 783 -0.283 -1.484 -6.767 1.00 0.22 N ATOM 83 CA LEU A 783 -0.177 -0.046 -6.716 1.00 0.21 C ATOM 84 C LEU A 783 1.278 0.362 -6.919 1.00 0.21 C ATOM 85 O LEU A 783 2.182 -0.382 -6.553 1.00 0.23 O ATOM 86 CB LEU A 783 -0.703 0.434 -5.358 1.00 0.26 C ATOM 87 CG LEU A 783 -1.029 1.917 -5.255 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.982 2.339 -6.363 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.636 2.227 -3.896 1.00 0.61 C ATOM 0 H LEU A 783 0.551 -1.978 -6.448 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.770 0.413 -7.507 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.603 -0.133 -5.118 1.00 0.26 H new ATOM 0 HB3 LEU A 783 0.039 0.192 -4.597 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.102 2.480 -5.367 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.201 3.403 -6.269 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.521 2.147 -7.332 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.908 1.770 -6.283 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.865 3.291 -3.834 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.552 1.650 -3.767 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.927 1.962 -3.112 1.00 0.61 H new ATOM 101 N LEU A 784 1.510 1.495 -7.558 1.00 0.20 N ATOM 102 CA LEU A 784 2.872 1.940 -7.827 1.00 0.22 C ATOM 103 C LEU A 784 3.054 3.351 -7.303 1.00 0.21 C ATOM 104 O LEU A 784 2.242 4.231 -7.577 1.00 0.23 O ATOM 105 CB LEU A 784 3.198 1.890 -9.327 1.00 0.29 C ATOM 106 CG LEU A 784 3.585 0.512 -9.880 1.00 0.91 C ATOM 107 CD1 LEU A 784 2.382 -0.414 -9.956 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.236 0.655 -11.245 1.00 1.45 C ATOM 0 H LEU A 784 0.781 2.122 -7.899 1.00 0.20 H new ATOM 0 HA LEU A 784 3.559 1.264 -7.318 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.332 2.252 -9.880 1.00 0.29 H new ATOM 0 HB3 LEU A 784 4.016 2.583 -9.525 1.00 0.29 H new ATOM 0 HG LEU A 784 4.303 0.065 -9.193 1.00 0.91 H new ATOM 0 HD11 LEU A 784 2.692 -1.381 -10.352 1.00 1.53 H new ATOM 0 HD12 LEU A 784 1.962 -0.548 -8.959 1.00 1.53 H new ATOM 0 HD13 LEU A 784 1.628 0.022 -10.612 1.00 1.53 H new ATOM 0 HD21 LEU A 784 4.505 -0.331 -11.625 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.537 1.131 -11.933 1.00 1.45 H new ATOM 0 HD23 LEU A 784 5.133 1.268 -11.158 1.00 1.45 H new ATOM 120 N VAL A 785 3.994 3.479 -6.374 1.00 0.22 N ATOM 121 CA VAL A 785 4.161 4.692 -5.573 1.00 0.25 C ATOM 122 C VAL A 785 4.699 5.884 -6.372 1.00 0.34 C ATOM 123 O VAL A 785 5.718 6.487 -6.021 1.00 0.79 O ATOM 124 CB VAL A 785 5.062 4.410 -4.354 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.383 3.411 -3.441 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.421 3.883 -4.782 1.00 1.10 C ATOM 0 H VAL A 785 4.665 2.744 -6.152 1.00 0.22 H new ATOM 0 HA VAL A 785 3.164 4.976 -5.235 1.00 0.25 H new ATOM 0 HB VAL A 785 5.219 5.347 -3.820 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.021 3.213 -2.580 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.431 3.818 -3.101 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.208 2.482 -3.984 1.00 0.95 H new ATOM 0 HG21 VAL A 785 7.032 3.694 -3.900 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.292 2.955 -5.340 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.915 4.621 -5.414 1.00 1.10 H new ATOM 136 N GLU A 786 3.931 6.289 -7.369 1.00 0.69 N ATOM 137 CA GLU A 786 4.230 7.476 -8.157 1.00 0.81 C ATOM 138 C GLU A 786 4.262 8.717 -7.277 1.00 0.87 C ATOM 139 O GLU A 786 3.510 8.807 -6.309 1.00 1.56 O ATOM 140 CB GLU A 786 3.174 7.666 -9.242 1.00 0.99 C ATOM 141 CG GLU A 786 3.117 6.539 -10.252 1.00 1.51 C ATOM 142 CD GLU A 786 4.386 6.427 -11.072 1.00 2.26 C ATOM 143 OE1 GLU A 786 4.778 7.418 -11.717 1.00 2.59 O ATOM 144 OE2 GLU A 786 5.004 5.339 -11.073 1.00 3.06 O ATOM 0 H GLU A 786 3.081 5.804 -7.657 1.00 0.69 H new ATOM 0 HA GLU A 786 5.210 7.337 -8.614 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.197 7.766 -8.770 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.372 8.601 -9.767 1.00 0.99 H new ATOM 0 HG2 GLU A 786 2.941 5.598 -9.731 1.00 1.51 H new ATOM 0 HG3 GLU A 786 2.270 6.697 -10.920 1.00 1.51 H new ATOM 151 N LYS A 787 5.138 9.657 -7.635 1.00 0.91 N ATOM 152 CA LYS A 787 5.279 10.959 -6.957 1.00 1.01 C ATOM 153 C LYS A 787 5.700 10.823 -5.487 1.00 0.96 C ATOM 154 O LYS A 787 5.877 11.831 -4.796 1.00 1.58 O ATOM 155 CB LYS A 787 3.984 11.792 -7.083 1.00 1.17 C ATOM 156 CG LYS A 787 2.976 11.591 -5.956 1.00 1.21 C ATOM 157 CD LYS A 787 1.624 12.207 -6.285 1.00 1.35 C ATOM 158 CE LYS A 787 0.666 12.097 -5.107 1.00 1.27 C ATOM 159 NZ LYS A 787 -0.641 12.751 -5.378 1.00 1.80 N ATOM 0 H LYS A 787 5.783 9.539 -8.416 1.00 0.91 H new ATOM 0 HA LYS A 787 6.085 11.487 -7.466 1.00 1.01 H new ATOM 0 HB2 LYS A 787 4.252 12.848 -7.127 1.00 1.17 H new ATOM 0 HB3 LYS A 787 3.502 11.546 -8.029 1.00 1.17 H new ATOM 0 HG2 LYS A 787 2.852 10.525 -5.766 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.364 12.035 -5.039 1.00 1.21 H new ATOM 0 HD2 LYS A 787 1.755 13.255 -6.554 1.00 1.35 H new ATOM 0 HD3 LYS A 787 1.195 11.707 -7.153 1.00 1.35 H new ATOM 0 HE2 LYS A 787 0.502 11.045 -4.873 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.122 12.552 -4.228 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -1.259 12.650 -4.547 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 -0.490 13.761 -5.576 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 -1.091 12.301 -6.201 1.00 1.80 H new ATOM 173 N VAL A 788 5.927 9.586 -5.038 1.00 0.66 N ATOM 174 CA VAL A 788 6.358 9.306 -3.667 1.00 0.61 C ATOM 175 C VAL A 788 5.326 9.797 -2.644 1.00 0.70 C ATOM 176 O VAL A 788 5.393 10.922 -2.149 1.00 1.70 O ATOM 177 CB VAL A 788 7.743 9.917 -3.359 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.179 9.589 -1.939 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.776 9.412 -4.357 1.00 1.21 C ATOM 0 H VAL A 788 5.817 8.752 -5.614 1.00 0.66 H new ATOM 0 HA VAL A 788 6.442 8.222 -3.583 1.00 0.61 H new ATOM 0 HB VAL A 788 7.664 11.000 -3.449 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.157 10.031 -1.747 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.454 9.994 -1.233 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.239 8.507 -1.818 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.747 9.850 -4.128 1.00 1.21 H new ATOM 0 HG22 VAL A 788 8.844 8.326 -4.292 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.477 9.698 -5.366 1.00 1.21 H new ATOM 189 N TRP A 789 4.353 8.946 -2.372 1.00 0.50 N ATOM 190 CA TRP A 789 3.274 9.252 -1.439 1.00 0.33 C ATOM 191 C TRP A 789 3.779 9.291 0.001 1.00 0.29 C ATOM 192 O TRP A 789 4.451 8.363 0.433 1.00 0.34 O ATOM 193 CB TRP A 789 2.205 8.176 -1.557 1.00 0.32 C ATOM 194 CG TRP A 789 1.611 8.064 -2.925 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.282 9.084 -3.770 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.278 6.855 -3.609 1.00 0.34 C ATOM 197 NE1 TRP A 789 0.740 8.581 -4.925 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.730 7.220 -4.850 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.384 5.502 -3.294 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.286 6.284 -5.766 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.943 4.572 -4.208 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.396 4.970 -5.433 1.00 0.44 C ATOM 0 H TRP A 789 4.285 8.019 -2.792 1.00 0.50 H new ATOM 0 HA TRP A 789 2.869 10.233 -1.688 1.00 0.33 H new ATOM 0 HB2 TRP A 789 2.638 7.215 -1.279 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.410 8.387 -0.842 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.427 10.133 -3.560 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.400 9.135 -5.711 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.805 5.189 -2.350 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 -0.134 6.586 -6.714 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 1.020 3.520 -3.976 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.054 4.218 -6.129 1.00 0.44 H new ATOM 213 N ASN A 790 3.376 10.298 0.773 1.00 0.29 N ATOM 214 CA ASN A 790 3.778 10.359 2.178 1.00 0.32 C ATOM 215 C ASN A 790 3.117 9.249 2.968 1.00 0.37 C ATOM 216 O ASN A 790 3.777 8.522 3.700 1.00 0.82 O ATOM 217 CB ASN A 790 3.452 11.712 2.811 1.00 0.39 C ATOM 218 CG ASN A 790 4.070 11.848 4.191 1.00 1.20 C ATOM 219 OD1 ASN A 790 5.291 11.864 4.333 1.00 2.06 O ATOM 220 ND2 ASN A 790 3.240 11.931 5.215 1.00 1.79 N ATOM 0 H ASN A 790 2.784 11.068 0.460 1.00 0.29 H new ATOM 0 HA ASN A 790 4.860 10.230 2.207 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.817 12.513 2.168 1.00 0.39 H new ATOM 0 HB3 ASN A 790 2.371 11.829 2.883 1.00 0.39 H new ATOM 0 HD21 ASN A 790 3.607 12.012 6.163 1.00 1.79 H new ATOM 0 HD22 ASN A 790 2.232 11.914 5.057 1.00 1.79 H new ATOM 227 N PHE A 791 1.841 9.061 2.685 1.00 0.30 N ATOM 228 CA PHE A 791 1.047 7.943 3.220 1.00 0.25 C ATOM 229 C PHE A 791 -0.423 8.151 2.905 1.00 0.23 C ATOM 230 O PHE A 791 -1.073 7.268 2.353 1.00 0.21 O ATOM 231 CB PHE A 791 1.226 7.766 4.733 1.00 0.28 C ATOM 232 CG PHE A 791 0.449 6.613 5.320 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.616 5.325 4.833 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.427 6.816 6.373 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.079 4.264 5.384 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.122 5.758 6.931 1.00 0.47 C ATOM 237 CZ PHE A 791 -0.948 4.480 6.436 1.00 0.42 C ATOM 0 H PHE A 791 1.311 9.680 2.072 1.00 0.30 H new ATOM 0 HA PHE A 791 1.410 7.036 2.737 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.285 7.622 4.947 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.922 8.686 5.233 1.00 0.28 H new ATOM 0 HD1 PHE A 791 1.297 5.149 4.014 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.569 7.813 6.764 1.00 0.42 H new ATOM 0 HE1 PHE A 791 0.058 3.267 4.992 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.800 5.931 7.753 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.490 3.653 6.870 1.00 0.42 H new ATOM 247 N ASP A 792 -0.931 9.344 3.206 1.00 0.26 N ATOM 248 CA ASP A 792 -2.325 9.667 2.909 1.00 0.29 C ATOM 249 C ASP A 792 -2.560 9.601 1.405 1.00 0.25 C ATOM 250 O ASP A 792 -3.591 9.116 0.953 1.00 0.26 O ATOM 251 CB ASP A 792 -2.738 11.039 3.468 1.00 0.38 C ATOM 252 CG ASP A 792 -2.130 12.213 2.728 1.00 1.13 C ATOM 253 OD1 ASP A 792 -0.896 12.387 2.794 1.00 1.74 O ATOM 254 OD2 ASP A 792 -2.880 12.960 2.069 1.00 1.86 O ATOM 0 H ASP A 792 -0.405 10.096 3.651 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.952 8.926 3.405 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -3.824 11.123 3.432 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -2.449 11.095 4.517 1.00 0.38 H new ATOM 259 N ASP A 793 -1.558 10.018 0.641 1.00 0.24 N ATOM 260 CA ASP A 793 -1.606 9.940 -0.816 1.00 0.23 C ATOM 261 C ASP A 793 -1.745 8.485 -1.262 1.00 0.19 C ATOM 262 O ASP A 793 -2.547 8.158 -2.137 1.00 0.18 O ATOM 263 CB ASP A 793 -0.330 10.529 -1.424 1.00 0.28 C ATOM 264 CG ASP A 793 0.232 11.692 -0.639 1.00 0.75 C ATOM 265 OD1 ASP A 793 0.863 11.448 0.412 1.00 1.36 O ATOM 266 OD2 ASP A 793 0.043 12.851 -1.060 1.00 1.16 O ATOM 0 H ASP A 793 -0.695 10.417 1.009 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.468 10.512 -1.160 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.426 9.747 -1.490 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.540 10.856 -2.442 1.00 0.28 H new ATOM 271 N LEU A 794 -0.992 7.612 -0.601 1.00 0.18 N ATOM 272 CA LEU A 794 -1.046 6.180 -0.856 1.00 0.17 C ATOM 273 C LEU A 794 -2.413 5.628 -0.455 1.00 0.16 C ATOM 274 O LEU A 794 -3.055 4.919 -1.230 1.00 0.16 O ATOM 275 CB LEU A 794 0.104 5.478 -0.103 1.00 0.19 C ATOM 276 CG LEU A 794 -0.197 4.087 0.469 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.397 3.069 -0.643 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.917 3.636 1.392 1.00 0.22 C ATOM 0 H LEU A 794 -0.328 7.879 0.126 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.916 5.987 -1.921 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.952 5.391 -0.782 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.418 6.123 0.718 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.122 4.157 1.041 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.609 2.092 -0.208 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.233 3.376 -1.271 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.508 3.008 -1.248 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.684 2.647 1.787 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.854 3.594 0.837 1.00 0.22 H new ATOM 0 HD23 LEU A 794 1.015 4.342 2.216 1.00 0.22 H new ATOM 290 N ILE A 795 -2.897 6.050 0.707 1.00 0.18 N ATOM 291 CA ILE A 795 -4.221 5.663 1.178 1.00 0.20 C ATOM 292 C ILE A 795 -5.299 6.115 0.195 1.00 0.19 C ATOM 293 O ILE A 795 -6.194 5.349 -0.143 1.00 0.20 O ATOM 294 CB ILE A 795 -4.513 6.237 2.586 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.544 5.641 3.614 1.00 0.51 C ATOM 296 CG2 ILE A 795 -5.957 5.974 3.000 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.624 4.129 3.727 1.00 0.48 C ATOM 0 H ILE A 795 -2.389 6.664 1.344 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.237 4.575 1.245 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.367 7.316 2.548 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.526 5.923 3.345 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.749 6.080 4.590 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.132 6.388 3.993 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.632 6.446 2.286 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.140 4.900 3.018 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -2.910 3.782 4.473 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.631 3.839 4.026 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.389 3.679 2.762 1.00 0.48 H new ATOM 309 N MET A 796 -5.168 7.339 -0.309 1.00 0.22 N ATOM 310 CA MET A 796 -6.107 7.874 -1.292 1.00 0.26 C ATOM 311 C MET A 796 -6.117 7.038 -2.564 1.00 0.22 C ATOM 312 O MET A 796 -7.183 6.712 -3.091 1.00 0.23 O ATOM 313 CB MET A 796 -5.772 9.330 -1.628 1.00 0.38 C ATOM 314 CG MET A 796 -6.291 10.335 -0.612 1.00 0.93 C ATOM 315 SD MET A 796 -7.982 10.884 -0.946 1.00 2.03 S ATOM 316 CE MET A 796 -8.916 9.372 -0.707 1.00 2.69 C ATOM 0 H MET A 796 -4.418 7.981 -0.052 1.00 0.22 H new ATOM 0 HA MET A 796 -7.101 7.833 -0.847 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.690 9.434 -1.706 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.187 9.571 -2.607 1.00 0.38 H new ATOM 0 HG2 MET A 796 -6.251 9.890 0.382 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.631 11.202 -0.600 1.00 0.93 H new ATOM 0 HE1 MET A 796 -9.976 9.610 -0.617 1.00 2.69 H new ATOM 0 HE2 MET A 796 -8.764 8.711 -1.561 1.00 2.69 H new ATOM 0 HE3 MET A 796 -8.577 8.875 0.202 1.00 2.69 H new ATOM 326 N ALA A 797 -4.934 6.647 -3.023 1.00 0.21 N ATOM 327 CA ALA A 797 -4.816 5.789 -4.197 1.00 0.22 C ATOM 328 C ALA A 797 -5.502 4.449 -3.943 1.00 0.21 C ATOM 329 O ALA A 797 -6.281 3.966 -4.769 1.00 0.26 O ATOM 330 CB ALA A 797 -3.354 5.581 -4.559 1.00 0.27 C ATOM 0 H ALA A 797 -4.043 6.910 -2.601 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.310 6.278 -5.037 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.284 4.939 -5.437 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -2.892 6.544 -4.777 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.836 5.111 -3.723 1.00 0.27 H new ATOM 336 N ILE A 798 -5.281 3.910 -2.748 1.00 0.20 N ATOM 337 CA ILE A 798 -5.939 2.683 -2.324 1.00 0.26 C ATOM 338 C ILE A 798 -7.453 2.869 -2.279 1.00 0.27 C ATOM 339 O ILE A 798 -8.203 2.050 -2.804 1.00 0.33 O ATOM 340 CB ILE A 798 -5.462 2.228 -0.926 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.969 1.910 -0.936 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.254 1.014 -0.474 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.424 1.529 0.424 1.00 0.67 C ATOM 0 H ILE A 798 -4.648 4.308 -2.054 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.675 1.919 -3.056 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.631 3.045 -0.224 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.784 1.094 -1.634 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.423 2.777 -1.307 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.910 0.702 0.512 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.313 1.268 -0.425 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.108 0.200 -1.184 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.358 1.316 0.342 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.577 2.353 1.121 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.944 0.643 0.789 1.00 0.67 H new ATOM 355 N ASN A 799 -7.886 3.929 -1.607 1.00 0.27 N ATOM 356 CA ASN A 799 -9.306 4.205 -1.413 1.00 0.33 C ATOM 357 C ASN A 799 -10.033 4.369 -2.739 1.00 0.31 C ATOM 358 O ASN A 799 -11.173 3.931 -2.891 1.00 0.40 O ATOM 359 CB ASN A 799 -9.496 5.474 -0.576 1.00 0.40 C ATOM 360 CG ASN A 799 -9.141 5.301 0.892 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.131 6.267 1.653 1.00 1.21 O ATOM 362 ND2 ASN A 799 -8.868 4.075 1.311 1.00 0.70 N ATOM 0 H ASN A 799 -7.267 4.619 -1.183 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.731 3.349 -0.888 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.882 6.271 -0.997 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.534 5.797 -0.653 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -8.641 3.910 2.292 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.885 3.296 0.653 1.00 0.70 H new ATOM 369 N SER A 800 -9.411 5.079 -3.668 1.00 0.30 N ATOM 370 CA SER A 800 -10.034 5.341 -4.954 1.00 0.35 C ATOM 371 C SER A 800 -10.155 4.060 -5.776 1.00 0.33 C ATOM 372 O SER A 800 -11.218 3.768 -6.326 1.00 0.41 O ATOM 373 CB SER A 800 -9.253 6.414 -5.719 1.00 0.44 C ATOM 374 OG SER A 800 -7.858 6.162 -5.684 1.00 1.29 O ATOM 0 H SER A 800 -8.481 5.482 -3.556 1.00 0.30 H new ATOM 0 HA SER A 800 -11.042 5.715 -4.775 1.00 0.35 H new ATOM 0 HB2 SER A 800 -9.593 6.445 -6.754 1.00 0.44 H new ATOM 0 HB3 SER A 800 -9.458 7.393 -5.287 1.00 0.44 H new ATOM 0 HG SER A 800 -7.494 6.455 -4.823 1.00 1.29 H new ATOM 380 N LYS A 801 -9.062 3.313 -5.891 1.00 0.29 N ATOM 381 CA LYS A 801 -9.073 2.078 -6.666 1.00 0.36 C ATOM 382 C LYS A 801 -9.905 0.986 -5.995 1.00 0.43 C ATOM 383 O LYS A 801 -10.829 0.441 -6.604 1.00 0.58 O ATOM 384 CB LYS A 801 -7.654 1.592 -6.931 1.00 0.43 C ATOM 385 CG LYS A 801 -6.882 2.527 -7.841 1.00 0.86 C ATOM 386 CD LYS A 801 -5.563 1.928 -8.293 1.00 1.06 C ATOM 387 CE LYS A 801 -4.869 2.843 -9.283 1.00 1.13 C ATOM 388 NZ LYS A 801 -3.611 2.261 -9.813 1.00 1.95 N ATOM 0 H LYS A 801 -8.165 3.538 -5.461 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.547 2.302 -7.622 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.124 1.492 -5.984 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.691 0.600 -7.381 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.489 2.765 -8.714 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.693 3.465 -7.319 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.918 1.763 -7.430 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.738 0.955 -8.751 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -5.545 3.055 -10.112 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -4.649 3.795 -8.800 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -3.177 2.926 -10.485 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -2.953 2.083 -9.028 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -3.820 1.366 -10.299 1.00 1.95 H new ATOM 402 N ILE A 802 -9.607 0.690 -4.734 1.00 0.39 N ATOM 403 CA ILE A 802 -10.361 -0.316 -3.998 1.00 0.52 C ATOM 404 C ILE A 802 -11.754 0.201 -3.676 1.00 0.70 C ATOM 405 O ILE A 802 -11.911 1.189 -2.967 1.00 1.56 O ATOM 406 CB ILE A 802 -9.658 -0.740 -2.686 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.304 -1.389 -2.987 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.536 -1.696 -1.883 1.00 0.71 C ATOM 409 CD1 ILE A 802 -7.625 -1.974 -1.767 1.00 0.71 C ATOM 0 H ILE A 802 -8.854 1.129 -4.204 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.425 -1.194 -4.641 1.00 0.52 H new ATOM 0 HB ILE A 802 -9.490 0.156 -2.088 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.445 -2.177 -3.726 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.646 -0.645 -3.436 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.020 -1.980 -0.966 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.476 -1.204 -1.634 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.739 -2.588 -2.476 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -6.672 -2.416 -2.058 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -7.451 -1.186 -1.034 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.262 -2.742 -1.329 1.00 0.71 H new ATOM 550 N PRO A 812 -8.804 0.962 4.077 1.00 0.88 N ATOM 551 CA PRO A 812 -8.499 -0.347 3.511 1.00 0.80 C ATOM 552 C PRO A 812 -8.437 -1.418 4.590 1.00 0.77 C ATOM 553 O PRO A 812 -7.358 -1.878 4.958 1.00 0.82 O ATOM 554 CB PRO A 812 -7.127 -0.153 2.838 1.00 0.77 C ATOM 555 CG PRO A 812 -6.803 1.303 2.975 1.00 0.75 C ATOM 556 CD PRO A 812 -7.616 1.810 4.127 1.00 0.82 C ATOM 0 HA PRO A 812 -9.264 -0.685 2.812 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.366 -0.769 3.318 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.161 -0.448 1.789 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -5.738 1.449 3.157 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.047 1.843 2.060 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.085 1.708 5.074 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -7.866 2.865 4.013 1.00 0.82 H new ATOM 564 N ILE A 813 -9.591 -1.680 5.191 1.00 0.87 N ATOM 565 CA ILE A 813 -9.695 -2.561 6.345 1.00 0.96 C ATOM 566 C ILE A 813 -9.086 -1.869 7.569 1.00 0.96 C ATOM 567 O ILE A 813 -9.797 -1.156 8.270 1.00 1.64 O ATOM 568 CB ILE A 813 -9.017 -3.933 6.088 1.00 1.06 C ATOM 569 CG1 ILE A 813 -9.697 -4.660 4.918 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.045 -4.801 7.338 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.170 -4.939 5.138 1.00 1.67 C ATOM 0 H ILE A 813 -10.483 -1.286 4.890 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.750 -2.762 6.531 1.00 0.96 H new ATOM 0 HB ILE A 813 -7.975 -3.748 5.827 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -9.582 -4.060 4.015 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -9.181 -5.604 4.741 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -8.563 -5.756 7.129 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -8.513 -4.295 8.144 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.079 -4.974 7.638 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -11.577 -5.454 4.268 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.294 -5.566 6.021 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.701 -3.998 5.284 1.00 1.67 H new ATOM 583 N THR A 814 -7.754 -1.948 7.688 1.00 0.83 N ATOM 584 CA THR A 814 -6.941 -1.225 8.681 1.00 0.84 C ATOM 585 C THR A 814 -5.601 -1.925 8.829 1.00 0.71 C ATOM 586 O THR A 814 -4.547 -1.306 8.694 1.00 1.08 O ATOM 587 CB THR A 814 -7.577 -1.069 10.085 1.00 1.10 C ATOM 588 OG1 THR A 814 -8.479 -2.146 10.373 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.287 0.273 10.206 1.00 1.90 C ATOM 0 H THR A 814 -7.191 -2.537 7.075 1.00 0.83 H new ATOM 0 HA THR A 814 -6.845 -0.212 8.289 1.00 0.84 H new ATOM 0 HB THR A 814 -6.773 -1.104 10.820 1.00 1.10 H new ATOM 0 HG1 THR A 814 -9.355 -1.953 9.979 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.727 0.364 11.199 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.570 1.079 10.052 1.00 1.90 H new ATOM 0 HG23 THR A 814 -9.073 0.338 9.454 1.00 1.90 H new ATOM 597 N LYS A 815 -5.656 -3.246 8.977 1.00 0.61 N ATOM 598 CA LYS A 815 -4.452 -4.073 9.020 1.00 0.82 C ATOM 599 C LYS A 815 -3.914 -4.303 7.617 1.00 0.88 C ATOM 600 O LYS A 815 -3.861 -5.435 7.136 1.00 1.68 O ATOM 601 CB LYS A 815 -4.735 -5.419 9.697 1.00 1.16 C ATOM 602 CG LYS A 815 -4.447 -5.458 11.197 1.00 1.29 C ATOM 603 CD LYS A 815 -5.255 -4.432 11.978 1.00 1.45 C ATOM 604 CE LYS A 815 -4.531 -3.100 12.072 1.00 1.74 C ATOM 605 NZ LYS A 815 -3.285 -3.193 12.875 1.00 2.52 N ATOM 0 H LYS A 815 -6.526 -3.770 9.070 1.00 0.61 H new ATOM 0 HA LYS A 815 -3.702 -3.542 9.606 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -5.782 -5.677 9.536 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -4.138 -6.188 9.207 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -4.667 -6.455 11.579 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -3.385 -5.280 11.363 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -6.222 -4.287 11.496 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -5.452 -4.811 12.981 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -4.289 -2.749 11.069 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.194 -2.359 12.518 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -3.046 -2.255 13.254 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -3.428 -3.858 13.661 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -2.508 -3.531 12.272 1.00 2.52 H new ATOM 619 N ILE A 816 -3.572 -3.217 6.946 1.00 0.43 N ATOM 620 CA ILE A 816 -3.061 -3.290 5.592 1.00 0.34 C ATOM 621 C ILE A 816 -1.719 -4.008 5.561 1.00 0.30 C ATOM 622 O ILE A 816 -0.880 -3.848 6.454 1.00 0.33 O ATOM 623 CB ILE A 816 -2.911 -1.895 4.942 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.019 -0.983 5.788 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.275 -1.256 4.740 1.00 0.55 C ATOM 626 CD1 ILE A 816 -1.826 0.397 5.193 1.00 1.06 C ATOM 0 H ILE A 816 -3.640 -2.271 7.321 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.794 -3.853 5.014 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.435 -2.027 3.970 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.454 -0.883 6.782 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.045 -1.455 5.913 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.153 -0.275 4.282 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.880 -1.888 4.089 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -4.772 -1.147 5.704 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.184 0.988 5.846 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.362 0.308 4.211 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -2.794 0.889 5.094 1.00 1.06 H new ATOM 638 N LYS A 817 -1.507 -4.753 4.502 1.00 0.26 N ATOM 639 CA LYS A 817 -0.278 -5.488 4.313 1.00 0.24 C ATOM 640 C LYS A 817 0.269 -5.104 2.958 1.00 0.23 C ATOM 641 O LYS A 817 -0.500 -4.864 2.034 1.00 0.24 O ATOM 642 CB LYS A 817 -0.564 -6.993 4.372 1.00 0.33 C ATOM 643 CG LYS A 817 0.662 -7.868 4.560 1.00 0.74 C ATOM 644 CD LYS A 817 0.276 -9.334 4.628 1.00 0.68 C ATOM 645 CE LYS A 817 1.481 -10.223 4.884 1.00 1.18 C ATOM 646 NZ LYS A 817 1.861 -10.275 6.319 1.00 1.35 N ATOM 0 H LYS A 817 -2.182 -4.867 3.746 1.00 0.26 H new ATOM 0 HA LYS A 817 0.446 -5.253 5.093 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.258 -7.185 5.190 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -1.067 -7.289 3.451 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.357 -7.709 3.736 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.181 -7.582 5.475 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.458 -9.480 5.420 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.201 -9.628 3.693 1.00 0.68 H new ATOM 0 HE2 LYS A 817 1.264 -11.232 4.533 1.00 1.18 H new ATOM 0 HE3 LYS A 817 2.327 -9.858 4.301 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.100 -11.253 6.580 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 2.685 -9.662 6.482 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 1.064 -9.947 6.901 1.00 1.35 H new ATOM 660 N TYR A 818 1.562 -4.892 2.873 1.00 0.20 N ATOM 661 CA TYR A 818 2.140 -4.344 1.669 1.00 0.19 C ATOM 662 C TYR A 818 3.259 -5.227 1.177 1.00 0.18 C ATOM 663 O TYR A 818 3.855 -5.991 1.940 1.00 0.19 O ATOM 664 CB TYR A 818 2.627 -2.901 1.884 1.00 0.20 C ATOM 665 CG TYR A 818 3.978 -2.756 2.569 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.155 -2.990 1.872 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.071 -2.438 3.922 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.386 -2.912 2.493 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.298 -2.345 4.549 1.00 0.27 C ATOM 670 CZ TYR A 818 6.442 -2.393 3.812 1.00 0.26 C ATOM 671 OH TYR A 818 7.680 -2.512 4.455 1.00 0.30 O ATOM 0 H TYR A 818 2.230 -5.089 3.618 1.00 0.20 H new ATOM 0 HA TYR A 818 1.363 -4.312 0.905 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.677 -2.406 0.914 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.881 -2.370 2.476 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.107 -3.238 0.822 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.169 -2.261 4.490 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.283 -3.238 1.987 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.350 -2.234 5.622 1.00 0.27 H new ATOM 0 HH TYR A 818 7.697 -1.928 5.242 1.00 0.30 H new ATOM 681 N GLN A 819 3.362 -5.275 -0.125 1.00 0.17 N ATOM 682 CA GLN A 819 4.238 -6.196 -0.796 1.00 0.19 C ATOM 683 C GLN A 819 5.099 -5.442 -1.784 1.00 0.19 C ATOM 684 O GLN A 819 4.646 -4.468 -2.378 1.00 0.18 O ATOM 685 CB GLN A 819 3.383 -7.241 -1.512 1.00 0.22 C ATOM 686 CG GLN A 819 4.159 -8.361 -2.169 1.00 0.35 C ATOM 687 CD GLN A 819 3.281 -9.199 -3.075 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.172 -9.566 -2.717 1.00 1.08 O ATOM 689 NE2 GLN A 819 3.758 -9.483 -4.268 1.00 0.90 N ATOM 0 H GLN A 819 2.835 -4.670 -0.755 1.00 0.17 H new ATOM 0 HA GLN A 819 4.893 -6.694 -0.081 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.688 -7.674 -0.793 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.784 -6.740 -2.272 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.982 -7.942 -2.747 1.00 0.35 H new ATOM 0 HG3 GLN A 819 4.600 -8.997 -1.401 1.00 0.35 H new ATOM 0 HE21 GLN A 819 4.688 -9.161 -4.535 1.00 0.90 H new ATOM 0 HE22 GLN A 819 3.197 -10.025 -4.926 1.00 0.90 H new ATOM 698 N ASP A 820 6.346 -5.843 -1.914 1.00 0.22 N ATOM 699 CA ASP A 820 7.287 -5.089 -2.721 1.00 0.24 C ATOM 700 C ASP A 820 7.957 -5.968 -3.757 1.00 0.28 C ATOM 701 O ASP A 820 8.230 -7.154 -3.510 1.00 0.38 O ATOM 702 CB ASP A 820 8.344 -4.424 -1.834 1.00 0.31 C ATOM 703 CG ASP A 820 9.075 -5.399 -0.926 1.00 0.96 C ATOM 704 OD1 ASP A 820 9.854 -6.238 -1.432 1.00 1.38 O ATOM 705 OD2 ASP A 820 8.871 -5.329 0.299 1.00 1.73 O ATOM 0 H ASP A 820 6.731 -6.680 -1.476 1.00 0.22 H new ATOM 0 HA ASP A 820 6.725 -4.316 -3.245 1.00 0.24 H new ATOM 0 HB2 ASP A 820 9.071 -3.916 -2.468 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.865 -3.660 -1.222 1.00 0.31 H new ATOM 710 N GLU A 821 8.074 -5.394 -4.958 1.00 0.28 N ATOM 711 CA GLU A 821 8.633 -6.055 -6.140 1.00 0.38 C ATOM 712 C GLU A 821 8.077 -7.468 -6.305 1.00 0.85 C ATOM 713 O GLU A 821 8.780 -8.385 -6.735 1.00 0.63 O ATOM 714 CB GLU A 821 10.164 -6.060 -6.074 1.00 1.20 C ATOM 715 CG GLU A 821 10.860 -6.402 -7.388 1.00 1.63 C ATOM 716 CD GLU A 821 10.549 -5.427 -8.512 1.00 2.62 C ATOM 717 OE1 GLU A 821 9.654 -4.573 -8.351 1.00 3.38 O ATOM 718 OE2 GLU A 821 11.187 -5.528 -9.578 1.00 3.04 O ATOM 0 H GLU A 821 7.776 -4.435 -5.139 1.00 0.28 H new ATOM 0 HA GLU A 821 8.332 -5.488 -7.021 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.503 -5.078 -5.745 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.479 -6.777 -5.315 1.00 1.20 H new ATOM 0 HG2 GLU A 821 11.937 -6.423 -7.224 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.565 -7.405 -7.696 1.00 1.63 H new ATOM 725 N ASP A 822 6.796 -7.612 -5.985 1.00 1.90 N ATOM 726 CA ASP A 822 6.084 -8.879 -6.131 1.00 2.86 C ATOM 727 C ASP A 822 6.851 -10.036 -5.480 1.00 2.24 C ATOM 728 O ASP A 822 7.173 -11.022 -6.143 1.00 2.49 O ATOM 729 CB ASP A 822 5.841 -9.175 -7.614 1.00 3.96 C ATOM 730 CG ASP A 822 4.743 -10.194 -7.833 1.00 5.04 C ATOM 731 OD1 ASP A 822 3.965 -10.442 -6.895 1.00 5.63 O ATOM 732 OD2 ASP A 822 4.625 -10.718 -8.960 1.00 5.45 O ATOM 0 H ASP A 822 6.221 -6.855 -5.617 1.00 1.90 H new ATOM 0 HA ASP A 822 5.126 -8.786 -5.619 1.00 2.86 H new ATOM 0 HB2 ASP A 822 5.580 -8.249 -8.127 1.00 3.96 H new ATOM 0 HB3 ASP A 822 6.765 -9.539 -8.064 1.00 3.96 H new ATOM 737 N GLY A 823 7.234 -9.879 -4.211 1.00 1.39 N ATOM 738 CA GLY A 823 8.058 -10.899 -3.585 1.00 0.79 C ATOM 739 C GLY A 823 7.956 -10.969 -2.066 1.00 0.74 C ATOM 740 O GLY A 823 8.111 -12.049 -1.497 1.00 0.91 O ATOM 0 H GLY A 823 6.994 -9.083 -3.619 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.783 -11.870 -3.997 1.00 0.79 H new ATOM 0 HA3 GLY A 823 9.099 -10.721 -3.856 1.00 0.79 H new ATOM 744 N ASP A 824 7.850 -9.825 -1.399 1.00 0.55 N ATOM 745 CA ASP A 824 7.944 -9.798 0.070 1.00 0.53 C ATOM 746 C ASP A 824 6.762 -9.072 0.696 1.00 0.40 C ATOM 747 O ASP A 824 6.143 -8.228 0.058 1.00 0.32 O ATOM 748 CB ASP A 824 9.260 -9.162 0.528 1.00 0.61 C ATOM 749 CG ASP A 824 9.493 -9.339 2.019 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.315 -10.463 2.531 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.826 -8.340 2.694 1.00 1.47 O ATOM 0 H ASP A 824 7.701 -8.915 -1.835 1.00 0.55 H new ATOM 0 HA ASP A 824 7.922 -10.833 0.410 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.088 -9.607 -0.023 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.252 -8.099 0.287 1.00 0.61 H new ATOM 756 N PHE A 825 6.380 -9.506 1.895 1.00 0.43 N ATOM 757 CA PHE A 825 5.166 -9.022 2.547 1.00 0.38 C ATOM 758 C PHE A 825 5.472 -8.448 3.929 1.00 0.40 C ATOM 759 O PHE A 825 6.294 -8.978 4.681 1.00 0.47 O ATOM 760 CB PHE A 825 4.168 -10.164 2.744 1.00 0.47 C ATOM 761 CG PHE A 825 3.220 -10.415 1.612 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.054 -9.681 1.486 1.00 0.55 C ATOM 763 CD2 PHE A 825 3.535 -11.344 0.634 1.00 0.91 C ATOM 764 CE1 PHE A 825 1.215 -9.877 0.407 1.00 0.80 C ATOM 765 CE2 PHE A 825 2.707 -11.538 -0.450 1.00 1.16 C ATOM 766 CZ PHE A 825 1.389 -10.957 -0.399 1.00 1.04 C ATOM 0 H PHE A 825 6.898 -10.197 2.438 1.00 0.43 H new ATOM 0 HA PHE A 825 4.749 -8.249 1.901 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.728 -11.080 2.932 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.584 -9.958 3.641 1.00 0.47 H new ATOM 0 HD1 PHE A 825 1.798 -8.949 2.238 1.00 0.55 H new ATOM 0 HD2 PHE A 825 4.442 -11.924 0.722 1.00 0.91 H new ATOM 0 HE1 PHE A 825 0.422 -9.173 0.204 1.00 0.80 H new ATOM 0 HE2 PHE A 825 3.034 -12.106 -1.308 1.00 1.16 H new ATOM 0 HZ PHE A 825 0.573 -11.364 -0.978 1.00 1.04 H new ATOM 776 N VAL A 826 4.850 -7.308 4.198 1.00 0.35 N ATOM 777 CA VAL A 826 5.066 -6.523 5.410 1.00 0.39 C ATOM 778 C VAL A 826 3.747 -5.866 5.817 1.00 0.31 C ATOM 779 O VAL A 826 2.904 -5.616 4.969 1.00 0.29 O ATOM 780 CB VAL A 826 6.142 -5.422 5.222 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.413 -4.696 6.533 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.434 -5.994 4.665 1.00 0.95 C ATOM 0 H VAL A 826 4.165 -6.892 3.566 1.00 0.35 H new ATOM 0 HA VAL A 826 5.424 -7.203 6.183 1.00 0.39 H new ATOM 0 HB VAL A 826 5.749 -4.706 4.500 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.171 -3.929 6.374 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.494 -4.230 6.887 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.768 -5.409 7.277 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.165 -5.194 4.546 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.826 -6.744 5.352 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.240 -6.455 3.696 1.00 0.95 H new ATOM 792 N VAL A 827 3.537 -5.650 7.103 1.00 0.33 N ATOM 793 CA VAL A 827 2.278 -5.089 7.585 1.00 0.32 C ATOM 794 C VAL A 827 2.570 -3.820 8.364 1.00 0.35 C ATOM 795 O VAL A 827 3.508 -3.772 9.156 1.00 0.40 O ATOM 796 CB VAL A 827 1.536 -6.069 8.527 1.00 0.37 C ATOM 797 CG1 VAL A 827 0.323 -5.408 9.166 1.00 0.98 C ATOM 798 CG2 VAL A 827 1.117 -7.325 7.794 1.00 1.22 C ATOM 0 H VAL A 827 4.218 -5.853 7.835 1.00 0.33 H new ATOM 0 HA VAL A 827 1.648 -4.891 6.718 1.00 0.32 H new ATOM 0 HB VAL A 827 2.234 -6.347 9.317 1.00 0.37 H new ATOM 0 HG11 VAL A 827 -0.177 -6.121 9.822 1.00 0.98 H new ATOM 0 HG12 VAL A 827 0.644 -4.544 9.747 1.00 0.98 H new ATOM 0 HG13 VAL A 827 -0.368 -5.085 8.387 1.00 0.98 H new ATOM 0 HG21 VAL A 827 0.599 -7.992 8.483 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.450 -7.062 6.973 1.00 1.22 H new ATOM 0 HG23 VAL A 827 2.000 -7.827 7.398 1.00 1.22 H new ATOM 808 N LEU A 828 1.871 -2.753 8.007 1.00 0.34 N ATOM 809 CA LEU A 828 2.182 -1.443 8.542 1.00 0.38 C ATOM 810 C LEU A 828 0.939 -0.776 9.109 1.00 0.44 C ATOM 811 O LEU A 828 -0.172 -0.960 8.608 1.00 0.48 O ATOM 812 CB LEU A 828 2.833 -0.555 7.454 1.00 0.38 C ATOM 813 CG LEU A 828 1.902 -0.027 6.342 1.00 0.39 C ATOM 814 CD1 LEU A 828 1.183 1.243 6.779 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.680 0.241 5.064 1.00 0.96 C ATOM 0 H LEU A 828 1.089 -2.771 7.352 1.00 0.34 H new ATOM 0 HA LEU A 828 2.895 -1.569 9.357 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.296 0.301 7.945 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.635 -1.125 6.984 1.00 0.38 H new ATOM 0 HG LEU A 828 1.158 -0.800 6.149 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.535 1.590 5.974 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.582 1.035 7.664 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.917 2.015 7.012 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.001 0.612 4.296 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.452 0.986 5.257 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.146 -0.683 4.721 1.00 0.96 H new ATOM 827 N GLY A 829 1.164 0.058 10.103 1.00 0.53 N ATOM 828 CA GLY A 829 0.115 0.870 10.676 1.00 0.63 C ATOM 829 C GLY A 829 0.724 2.028 11.417 1.00 0.73 C ATOM 830 O GLY A 829 0.253 2.441 12.477 1.00 1.20 O ATOM 0 H GLY A 829 2.079 0.191 10.535 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.547 1.235 9.891 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.494 0.271 11.353 1.00 0.63 H new ATOM 834 N SER A 830 1.821 2.502 10.858 1.00 0.74 N ATOM 835 CA SER A 830 2.594 3.595 11.403 1.00 0.85 C ATOM 836 C SER A 830 3.452 4.164 10.285 1.00 0.98 C ATOM 837 O SER A 830 3.832 3.434 9.364 1.00 1.93 O ATOM 838 CB SER A 830 3.477 3.119 12.561 1.00 0.89 C ATOM 839 OG SER A 830 2.697 2.560 13.606 1.00 1.58 O ATOM 0 H SER A 830 2.206 2.127 9.991 1.00 0.74 H new ATOM 0 HA SER A 830 1.925 4.360 11.797 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.188 2.377 12.198 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.059 3.957 12.946 1.00 0.89 H new ATOM 0 HG SER A 830 1.749 2.742 13.440 1.00 1.58 H new ATOM 845 N ASP A 831 3.592 5.478 10.274 1.00 0.62 N ATOM 846 CA ASP A 831 4.253 6.182 9.176 1.00 0.62 C ATOM 847 C ASP A 831 5.622 5.593 8.850 1.00 0.58 C ATOM 848 O ASP A 831 6.022 5.565 7.689 1.00 0.97 O ATOM 849 CB ASP A 831 4.423 7.667 9.505 1.00 0.86 C ATOM 850 CG ASP A 831 3.119 8.441 9.512 1.00 1.20 C ATOM 851 OD1 ASP A 831 2.041 7.821 9.393 1.00 1.79 O ATOM 852 OD2 ASP A 831 3.169 9.684 9.652 1.00 1.74 O ATOM 0 H ASP A 831 3.255 6.089 11.018 1.00 0.62 H new ATOM 0 HA ASP A 831 3.609 6.063 8.305 1.00 0.62 H new ATOM 0 HB2 ASP A 831 4.897 7.762 10.482 1.00 0.86 H new ATOM 0 HB3 ASP A 831 5.099 8.117 8.777 1.00 0.86 H new ATOM 857 N GLU A 832 6.377 5.226 9.880 1.00 0.50 N ATOM 858 CA GLU A 832 7.760 4.791 9.698 1.00 0.44 C ATOM 859 C GLU A 832 7.871 3.550 8.807 1.00 0.34 C ATOM 860 O GLU A 832 8.752 3.487 7.953 1.00 0.34 O ATOM 861 CB GLU A 832 8.423 4.524 11.050 1.00 0.56 C ATOM 862 CG GLU A 832 9.933 4.338 10.966 1.00 1.41 C ATOM 863 CD GLU A 832 10.662 5.589 10.507 1.00 2.19 C ATOM 864 OE1 GLU A 832 10.485 5.982 9.337 1.00 2.93 O ATOM 865 OE2 GLU A 832 11.428 6.178 11.299 1.00 2.62 O ATOM 0 H GLU A 832 6.057 5.221 10.848 1.00 0.50 H new ATOM 0 HA GLU A 832 8.281 5.604 9.193 1.00 0.44 H new ATOM 0 HB2 GLU A 832 8.205 5.354 11.722 1.00 0.56 H new ATOM 0 HB3 GLU A 832 7.980 3.632 11.492 1.00 0.56 H new ATOM 0 HG2 GLU A 832 10.312 4.042 11.944 1.00 1.41 H new ATOM 0 HG3 GLU A 832 10.155 3.522 10.278 1.00 1.41 H new ATOM 872 N ASP A 833 7.026 2.543 9.026 1.00 0.32 N ATOM 873 CA ASP A 833 7.121 1.302 8.247 1.00 0.29 C ATOM 874 C ASP A 833 6.844 1.578 6.775 1.00 0.24 C ATOM 875 O ASP A 833 7.543 1.081 5.890 1.00 0.23 O ATOM 876 CB ASP A 833 6.157 0.233 8.762 1.00 0.38 C ATOM 877 CG ASP A 833 6.678 -1.173 8.522 1.00 1.21 C ATOM 878 OD1 ASP A 833 7.718 -1.313 7.847 1.00 2.14 O ATOM 879 OD2 ASP A 833 6.040 -2.141 8.986 1.00 1.50 O ATOM 0 H ASP A 833 6.280 2.557 9.722 1.00 0.32 H new ATOM 0 HA ASP A 833 8.137 0.923 8.362 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.991 0.380 9.829 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.191 0.350 8.270 1.00 0.38 H new ATOM 884 N TRP A 834 5.902 2.468 6.521 1.00 0.22 N ATOM 885 CA TRP A 834 5.652 2.917 5.165 1.00 0.20 C ATOM 886 C TRP A 834 6.842 3.726 4.661 1.00 0.19 C ATOM 887 O TRP A 834 7.293 3.559 3.530 1.00 0.18 O ATOM 888 CB TRP A 834 4.376 3.757 5.088 1.00 0.23 C ATOM 889 CG TRP A 834 4.181 4.381 3.744 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.931 5.688 3.476 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.240 3.717 2.482 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.840 5.885 2.121 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.022 4.689 1.490 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.460 2.392 2.094 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.017 4.379 0.138 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.453 2.088 0.753 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.234 3.078 -0.210 1.00 0.19 C ATOM 0 H TRP A 834 5.302 2.891 7.230 1.00 0.22 H new ATOM 0 HA TRP A 834 5.517 2.039 4.533 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.517 3.128 5.321 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.414 4.539 5.846 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.820 6.461 4.222 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.665 6.779 1.661 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.632 1.623 2.832 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.848 5.139 -0.611 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.619 1.068 0.438 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.237 2.806 -1.255 1.00 0.19 H new ATOM 908 N ASN A 835 7.349 4.593 5.522 1.00 0.22 N ATOM 909 CA ASN A 835 8.477 5.450 5.191 1.00 0.25 C ATOM 910 C ASN A 835 9.692 4.624 4.776 1.00 0.21 C ATOM 911 O ASN A 835 10.269 4.855 3.710 1.00 0.21 O ATOM 912 CB ASN A 835 8.808 6.350 6.385 1.00 0.34 C ATOM 913 CG ASN A 835 9.920 7.333 6.090 1.00 1.15 C ATOM 914 OD1 ASN A 835 9.879 8.051 5.093 1.00 1.66 O ATOM 915 ND2 ASN A 835 10.894 7.400 6.977 1.00 2.00 N ATOM 0 H ASN A 835 6.992 4.723 6.468 1.00 0.22 H new ATOM 0 HA ASN A 835 8.204 6.076 4.342 1.00 0.25 H new ATOM 0 HB2 ASN A 835 7.913 6.899 6.679 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.094 5.729 7.234 1.00 0.34 H new ATOM 0 HD21 ASN A 835 11.654 8.068 6.850 1.00 2.00 H new ATOM 0 HD22 ASN A 835 10.887 6.784 7.790 1.00 2.00 H new ATOM 922 N VAL A 836 10.008 3.591 5.551 1.00 0.22 N ATOM 923 CA VAL A 836 11.100 2.692 5.201 1.00 0.25 C ATOM 924 C VAL A 836 10.772 1.914 3.925 1.00 0.19 C ATOM 925 O VAL A 836 11.655 1.685 3.101 1.00 0.19 O ATOM 926 CB VAL A 836 11.495 1.726 6.345 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.887 2.506 7.587 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.391 0.731 6.665 1.00 1.22 C ATOM 0 H VAL A 836 9.527 3.357 6.419 1.00 0.22 H new ATOM 0 HA VAL A 836 11.970 3.324 5.023 1.00 0.25 H new ATOM 0 HB VAL A 836 12.355 1.151 6.000 1.00 0.39 H new ATOM 0 HG11 VAL A 836 12.162 1.812 8.381 1.00 1.36 H new ATOM 0 HG12 VAL A 836 12.736 3.151 7.359 1.00 1.36 H new ATOM 0 HG13 VAL A 836 11.045 3.117 7.914 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.715 0.075 7.473 1.00 1.22 H new ATOM 0 HG22 VAL A 836 9.494 1.269 6.972 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.171 0.134 5.780 1.00 1.22 H new ATOM 938 N ALA A 837 9.500 1.542 3.743 1.00 0.16 N ATOM 939 CA ALA A 837 9.077 0.864 2.517 1.00 0.15 C ATOM 940 C ALA A 837 9.363 1.737 1.301 1.00 0.15 C ATOM 941 O ALA A 837 9.940 1.271 0.322 1.00 0.19 O ATOM 942 CB ALA A 837 7.598 0.489 2.562 1.00 0.17 C ATOM 0 H ALA A 837 8.755 1.698 4.422 1.00 0.16 H new ATOM 0 HA ALA A 837 9.652 -0.059 2.436 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.321 -0.012 1.634 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.418 -0.180 3.404 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.997 1.391 2.680 1.00 0.17 H new ATOM 948 N LYS A 838 9.007 3.017 1.381 1.00 0.14 N ATOM 949 CA LYS A 838 9.296 3.948 0.294 1.00 0.19 C ATOM 950 C LYS A 838 10.790 4.008 0.028 1.00 0.20 C ATOM 951 O LYS A 838 11.222 3.924 -1.118 1.00 0.24 O ATOM 952 CB LYS A 838 8.813 5.356 0.604 1.00 0.23 C ATOM 953 CG LYS A 838 7.375 5.445 1.061 1.00 0.23 C ATOM 954 CD LYS A 838 6.836 6.852 0.874 1.00 0.40 C ATOM 955 CE LYS A 838 7.814 7.916 1.360 1.00 0.49 C ATOM 956 NZ LYS A 838 8.062 7.846 2.822 1.00 1.22 N ATOM 0 H LYS A 838 8.523 3.430 2.178 1.00 0.14 H new ATOM 0 HA LYS A 838 8.765 3.576 -0.583 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.452 5.783 1.377 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.935 5.972 -0.287 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.765 4.739 0.497 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.304 5.160 2.111 1.00 0.23 H new ATOM 0 HD2 LYS A 838 6.617 7.018 -0.181 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.895 6.953 1.414 1.00 0.40 H new ATOM 0 HE2 LYS A 838 8.760 7.803 0.830 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.424 8.903 1.109 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 8.143 8.809 3.207 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.272 7.354 3.285 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 8.945 7.326 3.000 1.00 1.22 H new ATOM 970 N GLU A 839 11.568 4.137 1.100 1.00 0.21 N ATOM 971 CA GLU A 839 13.022 4.176 0.994 1.00 0.26 C ATOM 972 C GLU A 839 13.530 2.916 0.311 1.00 0.27 C ATOM 973 O GLU A 839 14.330 2.983 -0.615 1.00 0.31 O ATOM 974 CB GLU A 839 13.657 4.306 2.377 1.00 0.32 C ATOM 975 CG GLU A 839 13.384 5.645 3.045 1.00 0.47 C ATOM 976 CD GLU A 839 13.935 5.716 4.453 1.00 1.34 C ATOM 977 OE1 GLU A 839 15.149 5.495 4.633 1.00 2.22 O ATOM 978 OE2 GLU A 839 13.149 5.970 5.391 1.00 1.85 O ATOM 0 H GLU A 839 11.214 4.216 2.053 1.00 0.21 H new ATOM 0 HA GLU A 839 13.301 5.045 0.397 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.283 3.507 3.017 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.734 4.166 2.288 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.824 6.442 2.446 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.309 5.822 3.070 1.00 0.47 H new ATOM 985 N MET A 840 12.975 1.784 0.715 1.00 0.27 N ATOM 986 CA MET A 840 13.290 0.499 0.109 1.00 0.31 C ATOM 987 C MET A 840 13.049 0.539 -1.403 1.00 0.34 C ATOM 988 O MET A 840 13.956 0.268 -2.192 1.00 0.40 O ATOM 989 CB MET A 840 12.446 -0.596 0.788 1.00 0.32 C ATOM 990 CG MET A 840 12.374 -1.916 0.037 1.00 0.36 C ATOM 991 SD MET A 840 10.936 -2.025 -1.052 1.00 0.76 S ATOM 992 CE MET A 840 9.578 -1.853 0.116 1.00 0.35 C ATOM 0 H MET A 840 12.294 1.730 1.472 1.00 0.27 H new ATOM 0 HA MET A 840 14.346 0.272 0.258 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.854 -0.783 1.781 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.433 -0.219 0.925 1.00 0.32 H new ATOM 0 HG2 MET A 840 13.281 -2.043 -0.553 1.00 0.36 H new ATOM 0 HG3 MET A 840 12.343 -2.736 0.755 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.044 -2.800 0.195 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.972 -1.576 1.094 1.00 0.35 H new ATOM 0 HE3 MET A 840 8.894 -1.079 -0.232 1.00 0.35 H new ATOM 1002 N LEU A 841 11.860 0.964 -1.796 1.00 0.30 N ATOM 1003 CA LEU A 841 11.508 1.069 -3.206 1.00 0.35 C ATOM 1004 C LEU A 841 12.422 2.055 -3.940 1.00 0.39 C ATOM 1005 O LEU A 841 13.091 1.698 -4.915 1.00 0.50 O ATOM 1006 CB LEU A 841 10.055 1.540 -3.331 1.00 0.33 C ATOM 1007 CG LEU A 841 9.004 0.644 -2.664 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.704 1.405 -2.460 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.756 -0.603 -3.497 1.00 0.62 C ATOM 0 H LEU A 841 11.117 1.244 -1.156 1.00 0.30 H new ATOM 0 HA LEU A 841 11.631 0.086 -3.661 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.978 2.539 -2.902 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.811 1.628 -4.390 1.00 0.33 H new ATOM 0 HG LEU A 841 9.386 0.340 -1.690 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.971 0.752 -1.986 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.885 2.271 -1.823 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.322 1.738 -3.425 1.00 0.62 H new ATOM 0 HD21 LEU A 841 8.007 -1.225 -3.007 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.398 -0.315 -4.485 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.685 -1.164 -3.597 1.00 0.62 H new ATOM 1021 N ALA A 842 12.442 3.291 -3.459 1.00 0.36 N ATOM 1022 CA ALA A 842 13.175 4.372 -4.109 1.00 0.44 C ATOM 1023 C ALA A 842 14.677 4.110 -4.176 1.00 0.52 C ATOM 1024 O ALA A 842 15.304 4.326 -5.217 1.00 0.61 O ATOM 1025 CB ALA A 842 12.903 5.685 -3.393 1.00 0.47 C ATOM 0 H ALA A 842 11.952 3.573 -2.610 1.00 0.36 H new ATOM 0 HA ALA A 842 12.818 4.430 -5.137 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.453 6.488 -3.884 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.836 5.904 -3.427 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.225 5.607 -2.354 1.00 0.47 H new ATOM 1031 N GLU A 843 15.263 3.719 -3.053 1.00 0.53 N ATOM 1032 CA GLU A 843 16.702 3.515 -2.983 1.00 0.66 C ATOM 1033 C GLU A 843 17.138 2.317 -3.814 1.00 0.71 C ATOM 1034 O GLU A 843 18.125 2.400 -4.546 1.00 0.81 O ATOM 1035 CB GLU A 843 17.165 3.354 -1.533 1.00 0.71 C ATOM 1036 CG GLU A 843 17.002 4.617 -0.700 1.00 1.45 C ATOM 1037 CD GLU A 843 17.905 5.743 -1.162 1.00 2.11 C ATOM 1038 OE1 GLU A 843 17.734 6.213 -2.306 1.00 2.92 O ATOM 1039 OE2 GLU A 843 18.782 6.176 -0.386 1.00 2.43 O ATOM 0 H GLU A 843 14.766 3.537 -2.181 1.00 0.53 H new ATOM 0 HA GLU A 843 17.175 4.404 -3.400 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.601 2.546 -1.067 1.00 0.71 H new ATOM 0 HB3 GLU A 843 18.214 3.056 -1.526 1.00 0.71 H new ATOM 0 HG2 GLU A 843 15.964 4.947 -0.747 1.00 1.45 H new ATOM 0 HG3 GLU A 843 17.217 4.389 0.344 1.00 1.45 H new ATOM 1046 N ASN A 844 16.437 1.196 -3.680 1.00 0.67 N ATOM 1047 CA ASN A 844 16.823 -0.011 -4.402 1.00 0.80 C ATOM 1048 C ASN A 844 16.607 0.138 -5.905 1.00 0.79 C ATOM 1049 O ASN A 844 17.564 0.050 -6.673 1.00 1.11 O ATOM 1050 CB ASN A 844 16.054 -1.231 -3.887 1.00 0.85 C ATOM 1051 CG ASN A 844 16.548 -1.718 -2.538 1.00 0.97 C ATOM 1052 OD1 ASN A 844 17.691 -2.151 -2.403 1.00 1.53 O ATOM 1053 ND2 ASN A 844 15.695 -1.641 -1.529 1.00 1.15 N ATOM 0 H ASN A 844 15.612 1.098 -3.088 1.00 0.67 H new ATOM 0 HA ASN A 844 17.887 -0.162 -4.222 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.996 -0.981 -3.811 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.139 -2.040 -4.612 1.00 0.85 H new ATOM 0 HD21 ASN A 844 15.977 -1.947 -0.598 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.755 -1.276 -1.682 1.00 1.15 H new ATOM 1060 N ASN A 845 15.355 0.421 -6.298 1.00 0.62 N ATOM 1061 CA ASN A 845 14.955 0.579 -7.714 1.00 0.71 C ATOM 1062 C ASN A 845 13.463 0.308 -7.834 1.00 0.61 C ATOM 1063 O ASN A 845 12.812 0.688 -8.810 1.00 0.71 O ATOM 1064 CB ASN A 845 15.708 -0.388 -8.659 1.00 0.92 C ATOM 1065 CG ASN A 845 15.313 -1.852 -8.477 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.240 -2.284 -8.903 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.181 -2.628 -7.848 1.00 1.48 N ATOM 0 H ASN A 845 14.584 0.548 -5.642 1.00 0.62 H new ATOM 0 HA ASN A 845 15.206 1.597 -8.013 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.518 -0.095 -9.692 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.780 -0.286 -8.491 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.971 -3.616 -7.703 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.060 -2.239 -7.508 1.00 1.48 H new ATOM 1074 N GLU A 846 12.996 -0.517 -6.913 1.00 0.55 N ATOM 1075 CA GLU A 846 11.652 -1.066 -6.934 1.00 0.63 C ATOM 1076 C GLU A 846 10.568 0.003 -6.798 1.00 0.73 C ATOM 1077 O GLU A 846 10.812 1.104 -6.317 1.00 1.49 O ATOM 1078 CB GLU A 846 11.551 -2.093 -5.810 1.00 0.77 C ATOM 1079 CG GLU A 846 12.360 -3.346 -6.101 1.00 1.40 C ATOM 1080 CD GLU A 846 12.959 -3.981 -4.863 1.00 2.19 C ATOM 1081 OE1 GLU A 846 12.181 -4.382 -3.973 1.00 2.97 O ATOM 1082 OE2 GLU A 846 14.197 -4.063 -4.763 1.00 2.54 O ATOM 0 H GLU A 846 13.550 -0.829 -6.116 1.00 0.55 H new ATOM 0 HA GLU A 846 11.479 -1.533 -7.904 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.900 -1.646 -4.879 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.506 -2.364 -5.661 1.00 0.77 H new ATOM 0 HG2 GLU A 846 11.720 -4.074 -6.599 1.00 1.40 H new ATOM 0 HG3 GLU A 846 13.162 -3.098 -6.796 1.00 1.40 H new ATOM 1089 N LYS A 847 9.374 -0.334 -7.255 1.00 0.42 N ATOM 1090 CA LYS A 847 8.234 0.567 -7.171 1.00 0.37 C ATOM 1091 C LYS A 847 6.946 -0.233 -6.998 1.00 0.35 C ATOM 1092 O LYS A 847 5.972 0.266 -6.431 1.00 0.44 O ATOM 1093 CB LYS A 847 8.132 1.456 -8.415 1.00 0.44 C ATOM 1094 CG LYS A 847 7.046 2.516 -8.296 1.00 0.63 C ATOM 1095 CD LYS A 847 6.795 3.244 -9.607 1.00 1.29 C ATOM 1096 CE LYS A 847 7.990 4.079 -10.034 1.00 1.80 C ATOM 1097 NZ LYS A 847 7.671 4.923 -11.216 1.00 2.40 N ATOM 0 H LYS A 847 9.167 -1.232 -7.692 1.00 0.42 H new ATOM 0 HA LYS A 847 8.380 1.212 -6.305 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.092 1.943 -8.587 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.931 0.832 -9.286 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.120 2.047 -7.962 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.331 3.239 -7.532 1.00 0.63 H new ATOM 0 HD2 LYS A 847 6.564 2.518 -10.386 1.00 1.29 H new ATOM 0 HD3 LYS A 847 5.922 3.888 -9.502 1.00 1.29 H new ATOM 0 HE2 LYS A 847 8.305 4.714 -9.206 1.00 1.80 H new ATOM 0 HE3 LYS A 847 8.828 3.423 -10.270 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 8.353 5.705 -11.278 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 7.726 4.346 -12.080 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 6.710 5.309 -11.118 1.00 2.40 H new ATOM 1111 N PHE A 848 6.940 -1.459 -7.526 1.00 0.32 N ATOM 1112 CA PHE A 848 5.774 -2.327 -7.447 1.00 0.30 C ATOM 1113 C PHE A 848 5.360 -2.510 -5.999 1.00 0.24 C ATOM 1114 O PHE A 848 6.141 -2.996 -5.175 1.00 0.21 O ATOM 1115 CB PHE A 848 6.088 -3.701 -8.049 1.00 0.31 C ATOM 1116 CG PHE A 848 4.882 -4.442 -8.562 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.276 -4.097 -9.765 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.340 -5.482 -7.825 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.158 -4.777 -10.213 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.222 -6.159 -8.271 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.679 -5.817 -9.559 1.00 0.52 C ATOM 0 H PHE A 848 7.736 -1.870 -8.014 1.00 0.32 H new ATOM 0 HA PHE A 848 4.964 -1.862 -8.008 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.797 -3.573 -8.867 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.581 -4.312 -7.293 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.683 -3.290 -10.356 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.798 -5.767 -6.889 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.667 -4.449 -11.117 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.765 -6.928 -7.666 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.884 -6.409 -9.988 1.00 0.52 H new ATOM 1131 N LEU A 849 4.120 -2.189 -5.712 1.00 0.22 N ATOM 1132 CA LEU A 849 3.588 -2.351 -4.383 1.00 0.18 C ATOM 1133 C LEU A 849 2.279 -3.114 -4.457 1.00 0.17 C ATOM 1134 O LEU A 849 1.488 -2.924 -5.377 1.00 0.19 O ATOM 1135 CB LEU A 849 3.374 -0.986 -3.718 1.00 0.20 C ATOM 1136 CG LEU A 849 3.012 -1.023 -2.234 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.138 -1.640 -1.418 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.719 0.376 -1.742 1.00 0.55 C ATOM 0 H LEU A 849 3.457 -1.811 -6.389 1.00 0.22 H new ATOM 0 HA LEU A 849 4.300 -2.913 -3.778 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.284 -0.398 -3.837 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.583 -0.461 -4.253 1.00 0.20 H new ATOM 0 HG LEU A 849 2.123 -1.641 -2.110 1.00 0.24 H new ATOM 0 HD11 LEU A 849 3.858 -1.656 -0.365 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.320 -2.659 -1.760 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.045 -1.048 -1.543 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.462 0.343 -0.683 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.600 1.003 -1.882 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.884 0.792 -2.306 1.00 0.55 H new ATOM 1150 N ASN A 850 2.083 -4.008 -3.521 1.00 0.16 N ATOM 1151 CA ASN A 850 0.874 -4.805 -3.466 1.00 0.17 C ATOM 1152 C ASN A 850 0.299 -4.707 -2.077 1.00 0.17 C ATOM 1153 O ASN A 850 1.038 -4.493 -1.123 1.00 0.16 O ATOM 1154 CB ASN A 850 1.142 -6.269 -3.815 1.00 0.19 C ATOM 1155 CG ASN A 850 1.621 -6.461 -5.238 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.937 -6.102 -6.197 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.797 -7.046 -5.385 1.00 0.45 N ATOM 0 H ASN A 850 2.751 -4.207 -2.776 1.00 0.16 H new ATOM 0 HA ASN A 850 0.169 -4.420 -4.203 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.889 -6.669 -3.129 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.229 -6.845 -3.664 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.169 -7.215 -6.319 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.332 -7.328 -4.564 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.011 -4.745 -1.964 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.643 -4.556 -0.676 1.00 0.21 C ATOM 1166 C ILE A 851 -2.562 -5.719 -0.406 1.00 0.24 C ATOM 1167 O ILE A 851 -3.448 -6.022 -1.203 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.503 -3.270 -0.609 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.067 -2.228 -1.639 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.460 -2.670 0.787 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.686 -1.640 -1.403 1.00 0.28 C ATOM 0 H ILE A 851 -1.654 -4.903 -2.740 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.841 -4.477 0.058 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.527 -3.560 -0.846 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.088 -2.684 -2.629 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.796 -1.417 -1.646 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.070 -1.767 0.814 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.848 -3.392 1.505 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.431 -2.420 1.044 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.463 -0.911 -2.182 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.661 -1.150 -0.430 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.058 -2.437 -1.427 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.344 -6.374 0.714 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.177 -7.470 1.106 1.00 0.37 C ATOM 1185 C ARG A 852 -4.131 -7.023 2.195 1.00 0.39 C ATOM 1186 O ARG A 852 -3.711 -6.679 3.300 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.340 -8.634 1.604 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.164 -9.885 1.837 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.356 -10.981 2.497 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.176 -12.162 2.761 1.00 1.27 N ATOM 1191 CZ ARG A 852 -2.711 -13.331 3.198 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.413 -13.518 3.390 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -3.558 -14.328 3.429 1.00 2.38 N ATOM 0 H ARG A 852 -1.590 -6.158 1.367 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.744 -7.801 0.236 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.556 -8.850 0.879 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.846 -8.350 2.533 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.023 -9.642 2.462 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.554 -10.245 0.885 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.518 -11.254 1.856 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.935 -10.612 3.432 1.00 0.70 H new ATOM 0 HE ARG A 852 -4.180 -12.085 2.598 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.755 -12.761 3.203 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -1.072 -14.419 3.725 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -4.557 -14.195 3.272 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -3.209 -15.226 3.764 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.409 -7.042 1.884 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.430 -6.677 2.846 1.00 0.54 C ATOM 1209 C LEU A 853 -6.962 -7.942 3.506 1.00 0.63 C ATOM 1210 O LEU A 853 -8.088 -8.365 3.242 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.567 -5.913 2.176 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.211 -4.613 1.432 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.389 -3.684 2.305 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.485 -4.899 0.126 1.00 1.56 C ATOM 0 H LEU A 853 -5.769 -7.308 0.967 1.00 0.46 H new ATOM 0 HA LEU A 853 -5.991 -6.023 3.599 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.051 -6.584 1.467 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.306 -5.671 2.940 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.150 -4.113 1.193 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.155 -2.776 1.750 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -6.958 -3.427 3.199 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -5.463 -4.181 2.595 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.249 -3.959 -0.373 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -5.562 -5.441 0.334 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -7.123 -5.502 -0.520 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.071 -8.647 4.189 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.391 -9.955 4.738 1.00 1.08 C ATOM 1228 C TYR A 854 -7.377 -9.839 5.898 1.00 1.25 C ATOM 1229 O TYR A 854 -8.169 -10.779 6.095 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.110 -10.676 5.178 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.365 -10.004 6.311 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.655 -10.309 7.634 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -3.375 -9.063 6.058 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -3.979 -9.696 8.672 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -2.697 -8.447 7.088 1.00 0.86 C ATOM 1236 CZ TYR A 854 -2.994 -8.775 8.394 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.327 -8.142 9.418 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.363 -8.808 6.600 1.00 1.77 O ATOM 0 H TYR A 854 -5.119 -8.333 4.376 1.00 0.99 H new ATOM 0 HA TYR A 854 -6.869 -10.546 3.956 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.366 -11.691 5.481 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.442 -10.758 4.320 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -5.421 -11.037 7.856 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -3.132 -8.810 5.037 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -4.222 -9.938 9.696 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -1.937 -7.711 6.873 1.00 0.86 H new ATOM 0 HH TYR A 854 -1.664 -7.525 9.044 1.00 0.92 H new