USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0.396 K(o=0.59,f=-0.95) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.197 K(o=0.59,f=-2.1!) USER MOD Set 2.1: A 28 SER OG : rot -86:sc= 1.11 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.872 USER MOD Set 2.3: A 51 GLN : amide:sc= 1.69 K(o=3.7,f=-0.6!) USER MOD Single : A 17 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.706 K(o=0.71,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 1.23 (180deg=0.97) USER MOD Single : A 25 GLN : amide:sc= 1.6 K(o=1.6,f=-0.86) USER MOD Single : A 31 GLN : amide:sc= -0.0798 K(o=-0.08,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.692! (180deg=-1.36!) USER MOD Single : A 37 HIS : no HD1:sc= 0.964 K(o=0.96,f=-4.8!) USER MOD Single : A 38 THR OG1 : rot -76:sc= -1.29! USER MOD Single : A 41 SER OG : rot -113:sc= 1.27 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 1.82 (180deg=1.69) USER MOD Single : A 44 MET CE :methyl 180:sc=-0.00289 (180deg=-0.00289) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -40:sc= 0.172 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 167:sc=-0.00559 (180deg=-0.225) USER MOD Single : A 65 GLN : amide:sc= -0.0498 X(o=-0.05,f=-0.15) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 75 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.8) USER MOD Single : A 78 MET CE :methyl -132:sc= -1.02 (180deg=-2.35!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0869 K(o=-0.087,f=-0.8) USER MOD Single : A 90 GLN : amide:sc= -0.182 K(o=-0.18,f=-3.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : B 357 ASN : amide:sc=-0.00401 K(o=-0.004,f=-0.56) USER MOD Single : B 358 ASN : amide:sc= 0.217 X(o=0.22,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.052 23.381 5.941 1.00 10.00 N ATOM 2 CA ASP A 16 -6.271 22.560 5.760 1.00 10.00 C ATOM 3 C ASP A 16 -5.895 21.150 5.331 1.00 10.00 C ATOM 4 O ASP A 16 -5.108 20.968 4.402 1.00 10.00 O ATOM 5 CB ASP A 16 -7.190 23.188 4.706 1.00 10.00 C ATOM 6 CG ASP A 16 -7.455 24.658 4.958 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.593 25.008 5.333 1.00 10.00 O ATOM 8 OD2 ASP A 16 -6.527 25.475 4.771 1.00 10.00 O ATOM 0 HA ASP A 16 -6.800 22.518 6.712 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -6.740 23.069 3.721 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.138 22.650 4.691 1.00 10.00 H new ATOM 13 N HIS A 17 -6.445 20.153 6.015 1.00 10.00 N ATOM 14 CA HIS A 17 -6.169 18.761 5.687 1.00 10.00 C ATOM 15 C HIS A 17 -7.124 18.289 4.599 1.00 10.00 C ATOM 16 O HIS A 17 -8.268 18.736 4.534 1.00 10.00 O ATOM 17 CB HIS A 17 -6.296 17.873 6.928 1.00 10.00 C ATOM 18 CG HIS A 17 -5.065 17.854 7.784 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.955 18.643 8.905 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.937 17.115 7.655 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.770 18.370 9.426 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.119 17.450 8.703 1.00 10.00 N ATOM 0 H HIS A 17 -7.084 20.283 6.799 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.145 18.686 5.321 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.139 18.219 7.527 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.525 16.855 6.613 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.723 16.399 6.876 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.378 18.831 10.321 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.192 17.071 8.895 1.00 10.00 H new ATOM 30 N ILE A 18 -6.657 17.388 3.749 1.00 10.00 N ATOM 31 CA ILE A 18 -7.473 16.881 2.658 1.00 10.00 C ATOM 32 C ILE A 18 -7.888 15.429 2.910 1.00 10.00 C ATOM 33 O ILE A 18 -7.074 14.598 3.323 1.00 10.00 O ATOM 34 CB ILE A 18 -6.725 17.010 1.304 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.625 16.598 0.137 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.440 16.188 1.303 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.001 16.854 -1.221 1.00 10.00 C ATOM 0 H ILE A 18 -5.718 16.993 3.794 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.378 17.486 2.608 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.457 18.059 1.176 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.862 15.538 0.226 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.567 17.142 0.204 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.938 16.298 0.342 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.782 16.540 2.098 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.680 15.138 1.469 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.691 16.540 -2.004 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.790 17.918 -1.330 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.073 16.289 -1.307 1.00 10.00 H new ATOM 49 N ASN A 19 -9.163 15.136 2.689 1.00 10.00 N ATOM 50 CA ASN A 19 -9.685 13.789 2.892 1.00 10.00 C ATOM 51 C ASN A 19 -9.423 12.926 1.671 1.00 10.00 C ATOM 52 O ASN A 19 -10.051 13.105 0.628 1.00 10.00 O ATOM 53 CB ASN A 19 -11.193 13.818 3.166 1.00 10.00 C ATOM 54 CG ASN A 19 -11.539 14.417 4.512 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.603 13.714 5.520 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.794 15.715 4.534 1.00 10.00 N ATOM 0 H ASN A 19 -9.856 15.813 2.369 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.173 13.367 3.756 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.688 14.391 2.382 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.585 12.802 3.115 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -12.055 16.169 5.409 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.729 16.262 3.676 1.00 10.00 H new ATOM 63 N LEU A 20 -8.494 11.997 1.795 1.00 10.00 N ATOM 64 CA LEU A 20 -8.175 11.103 0.698 1.00 10.00 C ATOM 65 C LEU A 20 -8.759 9.725 0.972 1.00 10.00 C ATOM 66 O LEU A 20 -8.516 9.132 2.024 1.00 10.00 O ATOM 67 CB LEU A 20 -6.661 11.026 0.492 1.00 10.00 C ATOM 68 CG LEU A 20 -5.997 12.350 0.103 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.502 12.164 -0.091 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.631 12.917 -1.159 1.00 10.00 C ATOM 0 H LEU A 20 -7.948 11.842 2.642 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.617 11.492 -0.220 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.202 10.662 1.411 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.451 10.289 -0.283 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.152 13.060 0.915 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.050 13.117 -0.367 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.056 11.806 0.837 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.326 11.436 -0.883 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.146 13.858 -1.419 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.509 12.208 -1.978 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -7.693 13.092 -0.986 1.00 10.00 H new ATOM 82 N LYS A 21 -9.546 9.235 0.028 1.00 10.00 N ATOM 83 CA LYS A 21 -10.192 7.939 0.163 1.00 10.00 C ATOM 84 C LYS A 21 -9.403 6.854 -0.551 1.00 10.00 C ATOM 85 O LYS A 21 -9.256 6.880 -1.772 1.00 10.00 O ATOM 86 CB LYS A 21 -11.606 7.987 -0.414 1.00 10.00 C ATOM 87 CG LYS A 21 -12.569 8.856 0.373 1.00 10.00 C ATOM 88 CD LYS A 21 -13.934 8.890 -0.292 1.00 10.00 C ATOM 89 CE LYS A 21 -14.893 9.806 0.448 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.151 10.021 -0.312 1.00 10.00 N ATOM 0 H LYS A 21 -9.754 9.719 -0.846 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.235 7.703 1.226 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.556 8.355 -1.439 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.003 6.973 -0.459 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.664 8.473 1.389 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.172 9.868 0.450 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.829 9.228 -1.323 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.347 7.882 -0.328 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.126 9.377 1.422 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.410 10.766 0.630 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.742 10.717 0.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.926 10.375 -1.264 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.667 9.122 -0.391 1.00 10.00 H new ATOM 104 N VAL A 22 -8.892 5.908 0.208 1.00 10.00 N ATOM 105 CA VAL A 22 -8.145 4.806 -0.364 1.00 10.00 C ATOM 106 C VAL A 22 -8.987 3.544 -0.286 1.00 10.00 C ATOM 107 O VAL A 22 -9.569 3.247 0.756 1.00 10.00 O ATOM 108 CB VAL A 22 -6.804 4.590 0.363 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.024 3.439 -0.255 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.979 5.863 0.341 1.00 10.00 C ATOM 0 H VAL A 22 -8.980 5.879 1.224 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.919 5.044 -1.403 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.020 4.331 1.400 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -5.082 3.310 0.278 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.610 2.523 -0.184 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.820 3.659 -1.303 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.035 5.694 0.859 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.780 6.150 -0.692 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.528 6.661 0.840 1.00 10.00 H new ATOM 120 N ALA A 23 -9.079 2.819 -1.384 1.00 10.00 N ATOM 121 CA ALA A 23 -9.868 1.604 -1.409 1.00 10.00 C ATOM 122 C ALA A 23 -9.053 0.428 -1.916 1.00 10.00 C ATOM 123 O ALA A 23 -8.574 0.435 -3.053 1.00 10.00 O ATOM 124 CB ALA A 23 -11.109 1.803 -2.266 1.00 10.00 C ATOM 0 H ALA A 23 -8.620 3.049 -2.265 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.176 1.378 -0.388 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.694 0.884 -2.278 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.711 2.612 -1.852 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.812 2.057 -3.284 1.00 10.00 H new ATOM 130 N GLY A 24 -8.881 -0.570 -1.068 1.00 10.00 N ATOM 131 CA GLY A 24 -8.143 -1.752 -1.459 1.00 10.00 C ATOM 132 C GLY A 24 -9.060 -2.778 -2.091 1.00 10.00 C ATOM 133 O GLY A 24 -10.269 -2.748 -1.860 1.00 10.00 O ATOM 0 H GLY A 24 -9.240 -0.584 -0.113 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.357 -1.478 -2.163 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.653 -2.185 -0.587 1.00 10.00 H new ATOM 137 N GLN A 25 -8.490 -3.699 -2.865 1.00 10.00 N ATOM 138 CA GLN A 25 -9.278 -4.733 -3.538 1.00 10.00 C ATOM 139 C GLN A 25 -9.838 -5.728 -2.530 1.00 10.00 C ATOM 140 O GLN A 25 -10.687 -6.557 -2.852 1.00 10.00 O ATOM 141 CB GLN A 25 -8.427 -5.475 -4.575 1.00 10.00 C ATOM 142 CG GLN A 25 -7.594 -4.560 -5.458 1.00 10.00 C ATOM 143 CD GLN A 25 -8.403 -3.433 -6.059 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.562 -3.605 -6.430 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.798 -2.265 -6.141 1.00 10.00 N ATOM 0 H GLN A 25 -7.487 -3.752 -3.042 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.107 -4.241 -4.046 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.763 -6.167 -4.057 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.083 -6.075 -5.206 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.776 -4.142 -4.871 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -7.144 -5.146 -6.259 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.834 -2.166 -5.821 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.293 -1.460 -6.524 1.00 10.00 H new ATOM 154 N ASP A 26 -9.349 -5.632 -1.306 1.00 10.00 N ATOM 155 CA ASP A 26 -9.782 -6.504 -0.229 1.00 10.00 C ATOM 156 C ASP A 26 -10.983 -5.905 0.492 1.00 10.00 C ATOM 157 O ASP A 26 -11.473 -6.461 1.473 1.00 10.00 O ATOM 158 CB ASP A 26 -8.633 -6.737 0.762 1.00 10.00 C ATOM 159 CG ASP A 26 -8.137 -5.454 1.412 1.00 10.00 C ATOM 160 OD1 ASP A 26 -7.990 -4.434 0.702 1.00 10.00 O ATOM 161 OD2 ASP A 26 -7.866 -5.466 2.630 1.00 10.00 O ATOM 0 H ASP A 26 -8.643 -4.949 -1.031 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.076 -7.462 -0.658 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -8.965 -7.426 1.539 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -7.804 -7.218 0.242 1.00 10.00 H new ATOM 166 N GLY A 27 -11.458 -4.769 -0.006 1.00 10.00 N ATOM 167 CA GLY A 27 -12.597 -4.112 0.599 1.00 10.00 C ATOM 168 C GLY A 27 -12.209 -3.340 1.841 1.00 10.00 C ATOM 169 O GLY A 27 -12.730 -3.591 2.931 1.00 10.00 O ATOM 0 H GLY A 27 -11.072 -4.292 -0.820 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.051 -3.433 -0.123 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.352 -4.856 0.855 1.00 10.00 H new ATOM 173 N SER A 28 -11.286 -2.408 1.680 1.00 10.00 N ATOM 174 CA SER A 28 -10.823 -1.601 2.795 1.00 10.00 C ATOM 175 C SER A 28 -10.995 -0.112 2.503 1.00 10.00 C ATOM 176 O SER A 28 -10.303 0.443 1.651 1.00 10.00 O ATOM 177 CB SER A 28 -9.348 -1.906 3.079 1.00 10.00 C ATOM 178 OG SER A 28 -8.621 -2.082 1.868 1.00 10.00 O ATOM 0 H SER A 28 -10.842 -2.191 0.788 1.00 10.00 H new ATOM 0 HA SER A 28 -11.423 -1.850 3.670 1.00 10.00 H new ATOM 0 HB2 SER A 28 -8.909 -1.092 3.656 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.270 -2.806 3.688 1.00 10.00 H new ATOM 0 HG SER A 28 -8.696 -3.014 1.574 1.00 10.00 H new ATOM 184 N VAL A 29 -11.941 0.520 3.185 1.00 10.00 N ATOM 185 CA VAL A 29 -12.160 1.947 3.022 1.00 10.00 C ATOM 186 C VAL A 29 -11.239 2.688 3.982 1.00 10.00 C ATOM 187 O VAL A 29 -11.534 2.815 5.171 1.00 10.00 O ATOM 188 CB VAL A 29 -13.631 2.345 3.289 1.00 10.00 C ATOM 189 CG1 VAL A 29 -13.810 3.854 3.219 1.00 10.00 C ATOM 190 CG2 VAL A 29 -14.560 1.647 2.306 1.00 10.00 C ATOM 0 H VAL A 29 -12.565 0.068 3.853 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.940 2.216 1.989 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.891 2.023 4.297 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -14.853 4.106 3.410 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -13.178 4.331 3.969 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.527 4.208 2.228 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -15.590 1.939 2.509 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -14.295 1.934 1.288 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -14.461 0.567 2.416 1.00 10.00 H new ATOM 200 N VAL A 30 -10.114 3.147 3.467 1.00 10.00 N ATOM 201 CA VAL A 30 -9.135 3.835 4.288 1.00 10.00 C ATOM 202 C VAL A 30 -9.316 5.344 4.213 1.00 10.00 C ATOM 203 O VAL A 30 -9.307 5.933 3.130 1.00 10.00 O ATOM 204 CB VAL A 30 -7.689 3.478 3.880 1.00 10.00 C ATOM 205 CG1 VAL A 30 -6.804 3.371 5.105 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.645 2.178 3.086 1.00 10.00 C ATOM 0 H VAL A 30 -9.855 3.056 2.485 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.301 3.501 5.312 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.315 4.279 3.242 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -5.789 3.119 4.799 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.798 4.324 5.634 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.188 2.593 5.765 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.614 1.953 2.813 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.045 1.367 3.694 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -8.245 2.283 2.182 1.00 10.00 H new ATOM 216 N GLN A 31 -9.486 5.960 5.372 1.00 10.00 N ATOM 217 CA GLN A 31 -9.660 7.399 5.469 1.00 10.00 C ATOM 218 C GLN A 31 -8.318 8.052 5.778 1.00 10.00 C ATOM 219 O GLN A 31 -7.845 8.020 6.917 1.00 10.00 O ATOM 220 CB GLN A 31 -10.683 7.735 6.558 1.00 10.00 C ATOM 221 CG GLN A 31 -11.267 9.136 6.448 1.00 10.00 C ATOM 222 CD GLN A 31 -12.518 9.308 7.288 1.00 10.00 C ATOM 223 OE1 GLN A 31 -13.249 8.347 7.542 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.776 10.532 7.720 1.00 10.00 N ATOM 0 H GLN A 31 -9.507 5.477 6.270 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.033 7.783 4.519 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.495 7.010 6.515 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.209 7.626 7.533 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.519 9.864 6.762 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.501 9.348 5.405 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -12.145 11.299 7.487 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -13.606 10.709 8.286 1.00 10.00 H new ATOM 233 N PHE A 32 -7.704 8.629 4.757 1.00 10.00 N ATOM 234 CA PHE A 32 -6.406 9.269 4.905 1.00 10.00 C ATOM 235 C PHE A 32 -6.535 10.763 5.173 1.00 10.00 C ATOM 236 O PHE A 32 -7.078 11.506 4.354 1.00 10.00 O ATOM 237 CB PHE A 32 -5.573 9.058 3.640 1.00 10.00 C ATOM 238 CG PHE A 32 -4.603 7.915 3.724 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.016 6.618 3.469 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.275 8.141 4.040 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.122 5.567 3.533 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.377 7.093 4.108 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.801 5.805 3.851 1.00 10.00 C ATOM 0 H PHE A 32 -8.086 8.667 3.812 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.914 8.810 5.763 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.246 8.887 2.800 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.021 9.973 3.425 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -6.049 6.426 3.217 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -2.937 9.148 4.236 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.457 4.560 3.334 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.344 7.282 4.362 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.100 4.985 3.899 1.00 10.00 H new ATOM 253 N LYS A 33 -6.043 11.187 6.329 1.00 10.00 N ATOM 254 CA LYS A 33 -6.051 12.592 6.700 1.00 10.00 C ATOM 255 C LYS A 33 -4.628 13.128 6.601 1.00 10.00 C ATOM 256 O LYS A 33 -3.829 12.977 7.529 1.00 10.00 O ATOM 257 CB LYS A 33 -6.593 12.780 8.116 1.00 10.00 C ATOM 258 CG LYS A 33 -6.521 14.220 8.608 1.00 10.00 C ATOM 259 CD LYS A 33 -6.603 14.300 10.121 1.00 10.00 C ATOM 260 CE LYS A 33 -6.165 15.662 10.629 1.00 10.00 C ATOM 261 NZ LYS A 33 -5.941 15.652 12.097 1.00 10.00 N ATOM 0 H LYS A 33 -5.631 10.571 7.030 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.704 13.142 6.022 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.630 12.445 8.147 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -6.032 12.143 8.799 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.590 14.674 8.269 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.335 14.796 8.168 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.626 14.102 10.442 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -5.975 13.526 10.562 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.248 15.962 10.122 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -6.924 16.405 10.381 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -5.643 16.598 12.409 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -6.823 15.390 12.581 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -5.200 14.961 12.330 1.00 10.00 H new ATOM 275 N ILE A 34 -4.301 13.708 5.455 1.00 10.00 N ATOM 276 CA ILE A 34 -2.967 14.237 5.224 1.00 10.00 C ATOM 277 C ILE A 34 -3.059 15.630 4.580 1.00 10.00 C ATOM 278 O ILE A 34 -4.153 16.073 4.222 1.00 10.00 O ATOM 279 CB ILE A 34 -2.114 13.260 4.347 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.031 13.720 2.891 1.00 10.00 C ATOM 281 CG2 ILE A 34 -2.675 11.842 4.407 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.425 12.696 1.950 1.00 10.00 C ATOM 0 H ILE A 34 -4.943 13.824 4.671 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.460 14.333 6.184 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.106 13.265 4.761 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.033 13.969 2.542 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -1.441 14.635 2.844 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.065 11.183 3.790 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -2.662 11.489 5.438 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.700 11.840 4.036 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.403 13.100 0.938 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.409 12.464 2.270 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -2.027 11.787 1.965 1.00 10.00 H new ATOM 294 N LYS A 35 -1.933 16.331 4.459 1.00 10.00 N ATOM 295 CA LYS A 35 -1.927 17.664 3.858 1.00 10.00 C ATOM 296 C LYS A 35 -1.903 17.571 2.332 1.00 10.00 C ATOM 297 O LYS A 35 -1.679 16.504 1.768 1.00 10.00 O ATOM 298 CB LYS A 35 -0.723 18.479 4.339 1.00 10.00 C ATOM 299 CG LYS A 35 -0.722 18.782 5.827 1.00 10.00 C ATOM 300 CD LYS A 35 0.451 19.679 6.194 1.00 10.00 C ATOM 301 CE LYS A 35 0.735 19.661 7.686 1.00 10.00 C ATOM 302 NZ LYS A 35 2.141 20.055 7.982 1.00 10.00 N ATOM 0 H LYS A 35 -1.018 16.001 4.767 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.841 18.168 4.171 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.189 17.937 4.091 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.694 19.420 3.789 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.658 19.267 6.105 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.665 17.852 6.392 1.00 10.00 H new ATOM 0 HD2 LYS A 35 1.339 19.355 5.652 1.00 10.00 H new ATOM 0 HD3 LYS A 35 0.240 20.700 5.877 1.00 10.00 H new ATOM 0 HE2 LYS A 35 0.051 20.340 8.195 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.546 18.663 8.081 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 2.387 19.762 8.949 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.781 19.591 7.306 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 2.237 21.087 7.898 1.00 10.00 H new ATOM 316 N ARG A 36 -2.103 18.699 1.667 1.00 10.00 N ATOM 317 CA ARG A 36 -2.114 18.732 0.208 1.00 10.00 C ATOM 318 C ARG A 36 -0.693 18.736 -0.349 1.00 10.00 C ATOM 319 O ARG A 36 -0.454 18.282 -1.469 1.00 10.00 O ATOM 320 CB ARG A 36 -2.874 19.959 -0.302 1.00 10.00 C ATOM 321 CG ARG A 36 -4.320 20.018 0.160 1.00 10.00 C ATOM 322 CD ARG A 36 -5.036 21.236 -0.402 1.00 10.00 C ATOM 323 NE ARG A 36 -5.103 21.209 -1.862 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.208 20.933 -2.561 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.344 20.650 -1.937 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.173 20.942 -3.884 1.00 10.00 N ATOM 0 H ARG A 36 -2.260 19.604 2.112 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.623 17.833 -0.139 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.358 20.859 0.032 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.850 19.963 -1.392 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.840 19.113 -0.153 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.354 20.045 1.249 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.046 21.283 0.006 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.520 22.140 -0.080 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.250 21.414 -2.382 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.378 20.642 -0.918 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.184 20.440 -2.477 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.303 21.160 -4.370 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.016 20.731 -4.418 1.00 10.00 H new ATOM 340 N HIS A 37 0.246 19.254 0.432 1.00 10.00 N ATOM 341 CA HIS A 37 1.641 19.310 0.009 1.00 10.00 C ATOM 342 C HIS A 37 2.378 18.030 0.408 1.00 10.00 C ATOM 343 O HIS A 37 3.467 17.749 -0.091 1.00 10.00 O ATOM 344 CB HIS A 37 2.336 20.554 0.602 1.00 10.00 C ATOM 345 CG HIS A 37 3.029 20.321 1.916 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.399 20.313 2.007 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.506 20.083 3.140 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.677 20.064 3.274 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.563 19.916 4.000 1.00 10.00 N ATOM 0 H HIS A 37 0.069 19.641 1.359 1.00 10.00 H new ATOM 0 HA HIS A 37 1.669 19.390 -1.078 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.067 20.923 -0.118 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.593 21.340 0.733 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.457 20.034 3.393 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.678 19.989 3.674 1.00 10.00 H new ATOM 0 HE2 HIS A 37 3.509 19.718 4.999 1.00 10.00 H new ATOM 357 N THR A 38 1.770 17.266 1.305 1.00 10.00 N ATOM 358 CA THR A 38 2.352 16.024 1.791 1.00 10.00 C ATOM 359 C THR A 38 2.577 15.025 0.652 1.00 10.00 C ATOM 360 O THR A 38 1.647 14.701 -0.087 1.00 10.00 O ATOM 361 CB THR A 38 1.437 15.392 2.860 1.00 10.00 C ATOM 362 OG1 THR A 38 1.350 16.255 4.004 1.00 10.00 O ATOM 363 CG2 THR A 38 1.948 14.031 3.298 1.00 10.00 C ATOM 0 H THR A 38 0.863 17.489 1.715 1.00 10.00 H new ATOM 0 HA THR A 38 3.320 16.262 2.231 1.00 10.00 H new ATOM 0 HB THR A 38 0.451 15.262 2.415 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.172 16.182 4.532 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.278 13.616 4.051 1.00 10.00 H new ATOM 0 HG22 THR A 38 1.985 13.362 2.438 1.00 10.00 H new ATOM 0 HG23 THR A 38 2.948 14.136 3.719 1.00 10.00 H new ATOM 371 N PRO A 39 3.826 14.544 0.485 1.00 10.00 N ATOM 372 CA PRO A 39 4.165 13.572 -0.557 1.00 10.00 C ATOM 373 C PRO A 39 3.326 12.306 -0.444 1.00 10.00 C ATOM 374 O PRO A 39 3.106 11.789 0.656 1.00 10.00 O ATOM 375 CB PRO A 39 5.644 13.263 -0.304 1.00 10.00 C ATOM 376 CG PRO A 39 6.158 14.426 0.466 1.00 10.00 C ATOM 377 CD PRO A 39 5.004 14.919 1.291 1.00 10.00 C ATOM 0 HA PRO A 39 3.972 13.961 -1.557 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.762 12.336 0.257 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.187 13.140 -1.241 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.995 14.135 1.101 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.521 15.207 -0.202 1.00 10.00 H new ATOM 0 HD2 PRO A 39 4.984 14.451 2.275 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.055 15.996 1.452 1.00 10.00 H new ATOM 385 N LEU A 40 2.881 11.795 -1.587 1.00 10.00 N ATOM 386 CA LEU A 40 2.057 10.594 -1.620 1.00 10.00 C ATOM 387 C LEU A 40 2.853 9.357 -1.221 1.00 10.00 C ATOM 388 O LEU A 40 2.295 8.265 -1.084 1.00 10.00 O ATOM 389 CB LEU A 40 1.426 10.406 -3.000 1.00 10.00 C ATOM 390 CG LEU A 40 0.259 11.353 -3.309 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.403 10.974 -4.620 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.762 11.337 -2.181 1.00 10.00 C ATOM 0 H LEU A 40 3.078 12.195 -2.504 1.00 10.00 H new ATOM 0 HA LEU A 40 1.259 10.724 -0.889 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.197 10.543 -3.758 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.074 9.378 -3.086 1.00 10.00 H new ATOM 0 HG LEU A 40 0.658 12.363 -3.399 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.228 11.657 -4.822 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.326 11.037 -5.428 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.784 9.955 -4.554 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.580 12.016 -2.421 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.152 10.327 -2.058 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.286 11.657 -1.254 1.00 10.00 H new ATOM 404 N SER A 41 4.157 9.531 -1.033 1.00 10.00 N ATOM 405 CA SER A 41 5.020 8.445 -0.609 1.00 10.00 C ATOM 406 C SER A 41 4.619 8.017 0.799 1.00 10.00 C ATOM 407 O SER A 41 4.666 6.836 1.144 1.00 10.00 O ATOM 408 CB SER A 41 6.476 8.902 -0.642 1.00 10.00 C ATOM 409 OG SER A 41 6.551 10.295 -0.891 1.00 10.00 O ATOM 0 H SER A 41 4.637 10.420 -1.170 1.00 10.00 H new ATOM 0 HA SER A 41 4.914 7.595 -1.283 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.958 8.669 0.307 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.017 8.358 -1.416 1.00 10.00 H new ATOM 0 HG SER A 41 6.957 10.449 -1.769 1.00 10.00 H new ATOM 415 N LYS A 42 4.199 9.001 1.598 1.00 10.00 N ATOM 416 CA LYS A 42 3.746 8.764 2.964 1.00 10.00 C ATOM 417 C LYS A 42 2.535 7.845 2.939 1.00 10.00 C ATOM 418 O LYS A 42 2.414 6.925 3.743 1.00 10.00 O ATOM 419 CB LYS A 42 3.346 10.087 3.628 1.00 10.00 C ATOM 420 CG LYS A 42 4.356 10.639 4.622 1.00 10.00 C ATOM 421 CD LYS A 42 3.922 12.011 5.126 1.00 10.00 C ATOM 422 CE LYS A 42 4.870 12.561 6.184 1.00 10.00 C ATOM 423 NZ LYS A 42 5.329 13.950 5.874 1.00 10.00 N ATOM 0 H LYS A 42 4.165 9.980 1.314 1.00 10.00 H new ATOM 0 HA LYS A 42 4.558 8.306 3.529 1.00 10.00 H new ATOM 0 HB2 LYS A 42 3.181 10.832 2.849 1.00 10.00 H new ATOM 0 HB3 LYS A 42 2.394 9.946 4.141 1.00 10.00 H new ATOM 0 HG2 LYS A 42 4.458 9.953 5.463 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.336 10.713 4.150 1.00 10.00 H new ATOM 0 HD2 LYS A 42 3.874 12.706 4.287 1.00 10.00 H new ATOM 0 HD3 LYS A 42 2.917 11.942 5.542 1.00 10.00 H new ATOM 0 HE2 LYS A 42 4.371 12.554 7.153 1.00 10.00 H new ATOM 0 HE3 LYS A 42 5.737 11.905 6.267 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.831 14.342 6.697 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 5.970 13.929 5.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 4.506 14.547 5.654 1.00 10.00 H new ATOM 437 N LEU A 43 1.661 8.103 1.976 1.00 10.00 N ATOM 438 CA LEU A 43 0.434 7.347 1.804 1.00 10.00 C ATOM 439 C LEU A 43 0.716 5.887 1.476 1.00 10.00 C ATOM 440 O LEU A 43 0.164 4.983 2.107 1.00 10.00 O ATOM 441 CB LEU A 43 -0.402 7.982 0.693 1.00 10.00 C ATOM 442 CG LEU A 43 -1.909 7.850 0.876 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.618 9.085 0.343 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.424 6.601 0.179 1.00 10.00 C ATOM 0 H LEU A 43 1.786 8.847 1.290 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.118 7.373 2.744 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.149 9.040 0.626 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.124 7.527 -0.258 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.120 7.761 1.942 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.694 8.975 0.481 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.271 9.966 0.884 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.398 9.201 -0.718 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.502 6.524 0.321 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.201 6.661 -0.886 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.938 5.722 0.602 1.00 10.00 H new ATOM 456 N MET A 44 1.581 5.665 0.497 1.00 10.00 N ATOM 457 CA MET A 44 1.928 4.315 0.078 1.00 10.00 C ATOM 458 C MET A 44 2.554 3.524 1.222 1.00 10.00 C ATOM 459 O MET A 44 2.210 2.365 1.447 1.00 10.00 O ATOM 460 CB MET A 44 2.875 4.354 -1.125 1.00 10.00 C ATOM 461 CG MET A 44 2.204 4.841 -2.402 1.00 10.00 C ATOM 462 SD MET A 44 3.197 4.537 -3.875 1.00 10.00 S ATOM 463 CE MET A 44 4.472 5.780 -3.690 1.00 10.00 C ATOM 0 H MET A 44 2.056 6.403 -0.023 1.00 10.00 H new ATOM 0 HA MET A 44 1.008 3.809 -0.216 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.718 5.005 -0.894 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.280 3.356 -1.293 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.239 4.345 -2.511 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.006 5.909 -2.318 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.166 5.717 -4.529 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.015 6.770 -3.670 1.00 10.00 H new ATOM 0 HE3 MET A 44 5.013 5.611 -2.759 1.00 10.00 H new ATOM 473 N LYS A 45 3.455 4.166 1.956 1.00 10.00 N ATOM 474 CA LYS A 45 4.127 3.520 3.078 1.00 10.00 C ATOM 475 C LYS A 45 3.150 3.241 4.221 1.00 10.00 C ATOM 476 O LYS A 45 3.177 2.168 4.821 1.00 10.00 O ATOM 477 CB LYS A 45 5.288 4.386 3.574 1.00 10.00 C ATOM 478 CG LYS A 45 6.439 4.491 2.586 1.00 10.00 C ATOM 479 CD LYS A 45 7.592 5.306 3.150 1.00 10.00 C ATOM 480 CE LYS A 45 7.265 6.793 3.196 1.00 10.00 C ATOM 481 NZ LYS A 45 8.323 7.575 3.884 1.00 10.00 N ATOM 0 H LYS A 45 3.737 5.133 1.795 1.00 10.00 H new ATOM 0 HA LYS A 45 4.521 2.566 2.729 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.916 5.387 3.792 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.662 3.974 4.511 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.791 3.492 2.330 1.00 10.00 H new ATOM 0 HG3 LYS A 45 6.086 4.951 1.663 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.828 4.955 4.154 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.481 5.148 2.540 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.140 7.168 2.180 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.315 6.939 3.709 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.061 8.581 3.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.426 7.235 4.862 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.225 7.457 3.380 1.00 10.00 H new ATOM 495 N ALA A 46 2.278 4.202 4.506 1.00 10.00 N ATOM 496 CA ALA A 46 1.297 4.054 5.576 1.00 10.00 C ATOM 497 C ALA A 46 0.365 2.873 5.315 1.00 10.00 C ATOM 498 O ALA A 46 0.140 2.040 6.196 1.00 10.00 O ATOM 499 CB ALA A 46 0.499 5.335 5.741 1.00 10.00 C ATOM 0 H ALA A 46 2.230 5.092 4.011 1.00 10.00 H new ATOM 0 HA ALA A 46 1.837 3.854 6.502 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.229 5.210 6.543 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.174 6.155 5.988 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.022 5.562 4.811 1.00 10.00 H new ATOM 505 N TYR A 47 -0.168 2.798 4.098 1.00 10.00 N ATOM 506 CA TYR A 47 -1.068 1.711 3.725 1.00 10.00 C ATOM 507 C TYR A 47 -0.322 0.379 3.750 1.00 10.00 C ATOM 508 O TYR A 47 -0.879 -0.655 4.130 1.00 10.00 O ATOM 509 CB TYR A 47 -1.663 1.958 2.335 1.00 10.00 C ATOM 510 CG TYR A 47 -2.678 0.915 1.911 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.338 -0.090 1.012 1.00 10.00 C ATOM 512 CD2 TYR A 47 -3.972 0.932 2.413 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.259 -1.045 0.628 1.00 10.00 C ATOM 514 CE2 TYR A 47 -4.899 -0.020 2.034 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.538 -1.005 1.141 1.00 10.00 C ATOM 516 OH TYR A 47 -5.456 -1.960 0.766 1.00 10.00 O ATOM 0 H TYR A 47 0.007 3.475 3.356 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.883 1.673 4.448 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.137 2.939 2.322 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -0.855 1.984 1.603 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.337 -0.124 0.607 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.259 1.703 3.112 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.979 -1.819 -0.071 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.901 0.008 2.436 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.309 -1.790 1.218 1.00 10.00 H new ATOM 526 N CYS A 48 0.944 0.423 3.356 1.00 10.00 N ATOM 527 CA CYS A 48 1.791 -0.759 3.328 1.00 10.00 C ATOM 528 C CYS A 48 1.930 -1.350 4.728 1.00 10.00 C ATOM 529 O CYS A 48 1.782 -2.558 4.925 1.00 10.00 O ATOM 530 CB CYS A 48 3.168 -0.393 2.769 1.00 10.00 C ATOM 531 SG CYS A 48 4.195 -1.808 2.322 1.00 10.00 S ATOM 0 H CYS A 48 1.410 1.276 3.048 1.00 10.00 H new ATOM 0 HA CYS A 48 1.331 -1.508 2.684 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.033 0.235 1.888 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.699 0.206 3.509 1.00 10.00 H new ATOM 0 HG CYS A 48 4.064 -2.740 3.219 1.00 10.00 H new ATOM 537 N GLU A 49 2.197 -0.483 5.698 1.00 10.00 N ATOM 538 CA GLU A 49 2.357 -0.896 7.085 1.00 10.00 C ATOM 539 C GLU A 49 1.032 -1.373 7.677 1.00 10.00 C ATOM 540 O GLU A 49 1.004 -2.294 8.494 1.00 10.00 O ATOM 541 CB GLU A 49 2.911 0.265 7.914 1.00 10.00 C ATOM 542 CG GLU A 49 4.319 0.681 7.521 1.00 10.00 C ATOM 543 CD GLU A 49 5.350 -0.386 7.824 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.674 -0.582 9.013 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.844 -1.031 6.877 1.00 10.00 O ATOM 0 H GLU A 49 2.308 0.519 5.546 1.00 10.00 H new ATOM 0 HA GLU A 49 3.059 -1.729 7.112 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.246 1.123 7.811 1.00 10.00 H new ATOM 0 HB3 GLU A 49 2.906 -0.017 8.967 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.342 0.910 6.456 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.584 1.597 8.050 1.00 10.00 H new ATOM 552 N ARG A 50 -0.061 -0.743 7.252 1.00 10.00 N ATOM 553 CA ARG A 50 -1.396 -1.092 7.735 1.00 10.00 C ATOM 554 C ARG A 50 -1.774 -2.514 7.338 1.00 10.00 C ATOM 555 O ARG A 50 -2.289 -3.281 8.148 1.00 10.00 O ATOM 556 CB ARG A 50 -2.435 -0.119 7.174 1.00 10.00 C ATOM 557 CG ARG A 50 -3.619 0.128 8.098 1.00 10.00 C ATOM 558 CD ARG A 50 -3.261 1.101 9.205 1.00 10.00 C ATOM 559 NE ARG A 50 -3.213 0.468 10.517 1.00 10.00 N ATOM 560 CZ ARG A 50 -4.192 0.560 11.415 1.00 10.00 C ATOM 561 NH1 ARG A 50 -5.360 1.092 11.079 1.00 10.00 N ATOM 562 NH2 ARG A 50 -4.017 0.076 12.637 1.00 10.00 N ATOM 0 H ARG A 50 -0.048 0.016 6.571 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.380 -1.026 8.823 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.948 0.833 6.963 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.804 -0.506 6.224 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.457 0.521 7.522 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.947 -0.816 8.533 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.292 1.551 8.988 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -3.992 1.910 9.223 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.385 -0.075 10.761 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.511 1.433 10.129 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -6.107 1.160 11.770 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -3.133 -0.366 12.889 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.766 0.146 13.325 1.00 10.00 H new ATOM 576 N GLN A 51 -1.516 -2.855 6.084 1.00 10.00 N ATOM 577 CA GLN A 51 -1.838 -4.182 5.575 1.00 10.00 C ATOM 578 C GLN A 51 -0.769 -5.192 5.975 1.00 10.00 C ATOM 579 O GLN A 51 -1.043 -6.388 6.089 1.00 10.00 O ATOM 580 CB GLN A 51 -1.985 -4.143 4.051 1.00 10.00 C ATOM 581 CG GLN A 51 -3.208 -3.378 3.571 1.00 10.00 C ATOM 582 CD GLN A 51 -4.495 -4.174 3.704 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.624 -5.030 4.578 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.460 -3.895 2.840 1.00 10.00 N ATOM 0 H GLN A 51 -1.085 -2.233 5.400 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.785 -4.495 6.014 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.092 -3.689 3.621 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.036 -5.165 3.674 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.298 -2.453 4.141 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.067 -3.097 2.527 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.316 -3.178 2.129 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.347 -4.397 2.886 1.00 10.00 H new ATOM 593 N GLY A 52 0.443 -4.706 6.198 1.00 10.00 N ATOM 594 CA GLY A 52 1.533 -5.580 6.577 1.00 10.00 C ATOM 595 C GLY A 52 2.109 -6.303 5.382 1.00 10.00 C ATOM 596 O GLY A 52 2.309 -7.517 5.414 1.00 10.00 O ATOM 0 H GLY A 52 0.691 -3.720 6.123 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.316 -4.997 7.062 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.179 -6.308 7.307 1.00 10.00 H new ATOM 600 N LEU A 53 2.366 -5.553 4.321 1.00 10.00 N ATOM 601 CA LEU A 53 2.910 -6.115 3.092 1.00 10.00 C ATOM 602 C LEU A 53 4.122 -5.311 2.643 1.00 10.00 C ATOM 603 O LEU A 53 4.648 -4.495 3.399 1.00 10.00 O ATOM 604 CB LEU A 53 1.846 -6.107 1.988 1.00 10.00 C ATOM 605 CG LEU A 53 0.513 -6.766 2.356 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.567 -6.376 1.358 1.00 10.00 C ATOM 607 CD2 LEU A 53 0.662 -8.279 2.410 1.00 10.00 C ATOM 0 H LEU A 53 2.205 -4.546 4.286 1.00 10.00 H new ATOM 0 HA LEU A 53 3.214 -7.144 3.284 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.654 -5.074 1.700 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.252 -6.612 1.112 1.00 10.00 H new ATOM 0 HG LEU A 53 0.217 -6.413 3.344 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.507 -6.853 1.635 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.694 -5.293 1.364 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.275 -6.702 0.360 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -0.295 -8.730 2.673 1.00 10.00 H new ATOM 0 HD22 LEU A 53 0.981 -8.648 1.435 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.407 -8.545 3.160 1.00 10.00 H new ATOM 619 N SER A 54 4.564 -5.544 1.417 1.00 10.00 N ATOM 620 CA SER A 54 5.698 -4.829 0.860 1.00 10.00 C ATOM 621 C SER A 54 5.216 -3.867 -0.225 1.00 10.00 C ATOM 622 O SER A 54 4.341 -4.215 -1.023 1.00 10.00 O ATOM 623 CB SER A 54 6.721 -5.818 0.286 1.00 10.00 C ATOM 624 OG SER A 54 7.851 -5.149 -0.252 1.00 10.00 O ATOM 0 H SER A 54 4.149 -6.229 0.785 1.00 10.00 H new ATOM 0 HA SER A 54 6.183 -4.256 1.650 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.043 -6.505 1.069 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.250 -6.419 -0.491 1.00 10.00 H new ATOM 0 HG SER A 54 8.483 -5.808 -0.607 1.00 10.00 H new ATOM 630 N MET A 55 5.787 -2.664 -0.255 1.00 10.00 N ATOM 631 CA MET A 55 5.410 -1.655 -1.245 1.00 10.00 C ATOM 632 C MET A 55 5.791 -2.126 -2.642 1.00 10.00 C ATOM 633 O MET A 55 5.271 -1.643 -3.646 1.00 10.00 O ATOM 634 CB MET A 55 6.088 -0.316 -0.933 1.00 10.00 C ATOM 635 CG MET A 55 5.418 0.876 -1.605 1.00 10.00 C ATOM 636 SD MET A 55 6.211 2.450 -1.205 1.00 10.00 S ATOM 637 CE MET A 55 7.761 2.283 -2.089 1.00 10.00 C ATOM 0 H MET A 55 6.513 -2.364 0.395 1.00 10.00 H new ATOM 0 HA MET A 55 4.330 -1.512 -1.203 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.089 -0.161 0.146 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.130 -0.363 -1.250 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.433 0.732 -2.685 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.371 0.916 -1.303 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.260 3.251 -2.135 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.401 1.569 -1.570 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.566 1.927 -3.101 1.00 10.00 H new ATOM 647 N ARG A 56 6.693 -3.093 -2.688 1.00 10.00 N ATOM 648 CA ARG A 56 7.155 -3.660 -3.940 1.00 10.00 C ATOM 649 C ARG A 56 6.102 -4.604 -4.527 1.00 10.00 C ATOM 650 O ARG A 56 6.161 -4.959 -5.703 1.00 10.00 O ATOM 651 CB ARG A 56 8.471 -4.410 -3.701 1.00 10.00 C ATOM 652 CG ARG A 56 9.158 -4.883 -4.970 1.00 10.00 C ATOM 653 CD ARG A 56 10.477 -5.571 -4.655 1.00 10.00 C ATOM 654 NE ARG A 56 11.160 -6.034 -5.859 1.00 10.00 N ATOM 655 CZ ARG A 56 12.224 -5.434 -6.397 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.688 -4.298 -5.885 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.812 -5.965 -7.462 1.00 10.00 N ATOM 0 H ARG A 56 7.123 -3.505 -1.860 1.00 10.00 H new ATOM 0 HA ARG A 56 7.322 -2.855 -4.656 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.153 -3.759 -3.153 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.274 -5.273 -3.065 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.504 -5.571 -5.506 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.336 -4.033 -5.629 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.125 -4.881 -4.115 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.294 -6.419 -3.995 1.00 10.00 H new ATOM 0 HE ARG A 56 10.801 -6.870 -6.319 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.230 -3.879 -5.075 1.00 10.00 H new ATOM 0 HH12 ARG A 56 13.502 -3.846 -6.302 1.00 10.00 H new ATOM 0 HH21 ARG A 56 12.451 -6.829 -7.867 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.625 -5.509 -7.876 1.00 10.00 H new ATOM 671 N GLN A 57 5.114 -4.968 -3.716 1.00 10.00 N ATOM 672 CA GLN A 57 4.061 -5.883 -4.150 1.00 10.00 C ATOM 673 C GLN A 57 2.760 -5.147 -4.491 1.00 10.00 C ATOM 674 O GLN A 57 1.991 -5.596 -5.342 1.00 10.00 O ATOM 675 CB GLN A 57 3.805 -6.925 -3.056 1.00 10.00 C ATOM 676 CG GLN A 57 2.898 -8.065 -3.491 1.00 10.00 C ATOM 677 CD GLN A 57 2.738 -9.127 -2.419 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.637 -9.353 -1.607 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.588 -9.786 -2.402 1.00 10.00 N ATOM 0 H GLN A 57 5.019 -4.644 -2.754 1.00 10.00 H new ATOM 0 HA GLN A 57 4.402 -6.375 -5.061 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.760 -7.338 -2.730 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.361 -6.429 -2.193 1.00 10.00 H new ATOM 0 HG2 GLN A 57 1.918 -7.665 -3.750 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.304 -8.523 -4.393 1.00 10.00 H new ATOM 0 HE21 GLN A 57 0.867 -9.571 -3.091 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.424 -10.508 -1.700 1.00 10.00 H new ATOM 688 N ILE A 58 2.514 -4.021 -3.837 1.00 10.00 N ATOM 689 CA ILE A 58 1.290 -3.255 -4.078 1.00 10.00 C ATOM 690 C ILE A 58 1.512 -2.141 -5.100 1.00 10.00 C ATOM 691 O ILE A 58 2.623 -1.629 -5.244 1.00 10.00 O ATOM 692 CB ILE A 58 0.732 -2.646 -2.772 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.837 -1.917 -2.000 1.00 10.00 C ATOM 694 CG2 ILE A 58 0.096 -3.730 -1.912 1.00 10.00 C ATOM 695 CD1 ILE A 58 1.376 -1.312 -0.690 1.00 10.00 C ATOM 0 H ILE A 58 3.138 -3.616 -3.139 1.00 10.00 H new ATOM 0 HA ILE A 58 0.561 -3.960 -4.479 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.036 -1.917 -3.030 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.649 -2.617 -1.800 1.00 10.00 H new ATOM 0 HG13 ILE A 58 2.246 -1.127 -2.630 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.293 -3.286 -0.995 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.720 -4.199 -2.462 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.844 -4.482 -1.662 1.00 10.00 H new ATOM 0 HD11 ILE A 58 2.215 -0.814 -0.204 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.586 -0.586 -0.882 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.995 -2.099 -0.040 1.00 10.00 H new ATOM 707 N ARG A 59 0.455 -1.784 -5.823 1.00 10.00 N ATOM 708 CA ARG A 59 0.526 -0.730 -6.833 1.00 10.00 C ATOM 709 C ARG A 59 -0.614 0.263 -6.648 1.00 10.00 C ATOM 710 O ARG A 59 -1.774 -0.127 -6.526 1.00 10.00 O ATOM 711 CB ARG A 59 0.467 -1.325 -8.245 1.00 10.00 C ATOM 712 CG ARG A 59 1.650 -2.215 -8.590 1.00 10.00 C ATOM 713 CD ARG A 59 2.961 -1.443 -8.556 1.00 10.00 C ATOM 714 NE ARG A 59 4.098 -2.289 -8.900 1.00 10.00 N ATOM 715 CZ ARG A 59 4.793 -2.998 -8.017 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.507 -2.930 -6.726 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.794 -3.768 -8.420 1.00 10.00 N ATOM 0 H ARG A 59 -0.466 -2.211 -5.728 1.00 10.00 H new ATOM 0 HA ARG A 59 1.476 -0.210 -6.710 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.451 -1.903 -8.347 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.414 -0.512 -8.969 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.698 -3.046 -7.886 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.506 -2.645 -9.581 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.908 -0.606 -9.252 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.109 -1.022 -7.561 1.00 10.00 H new ATOM 0 HE ARG A 59 4.377 -2.340 -9.880 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.748 -2.330 -6.403 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.046 -3.478 -6.055 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.033 -3.817 -9.410 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.326 -4.311 -7.740 1.00 10.00 H new ATOM 731 N PHE A 60 -0.283 1.544 -6.637 1.00 10.00 N ATOM 732 CA PHE A 60 -1.282 2.591 -6.455 1.00 10.00 C ATOM 733 C PHE A 60 -1.654 3.234 -7.785 1.00 10.00 C ATOM 734 O PHE A 60 -0.783 3.558 -8.597 1.00 10.00 O ATOM 735 CB PHE A 60 -0.761 3.652 -5.484 1.00 10.00 C ATOM 736 CG PHE A 60 -0.740 3.204 -4.050 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.123 2.203 -3.632 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.579 3.792 -3.118 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.145 1.795 -2.314 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.563 3.387 -1.800 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.700 2.387 -1.396 1.00 10.00 C ATOM 0 H PHE A 60 0.671 1.887 -6.752 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.179 2.134 -6.038 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.248 3.938 -5.780 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.382 4.544 -5.567 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.786 1.737 -4.346 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.254 4.577 -3.427 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.822 1.014 -2.001 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.225 3.851 -1.084 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.686 2.069 -0.364 1.00 10.00 H new ATOM 751 N ARG A 61 -2.950 3.411 -8.002 1.00 10.00 N ATOM 752 CA ARG A 61 -3.456 4.017 -9.225 1.00 10.00 C ATOM 753 C ARG A 61 -4.454 5.126 -8.898 1.00 10.00 C ATOM 754 O ARG A 61 -5.370 4.933 -8.097 1.00 10.00 O ATOM 755 CB ARG A 61 -4.120 2.951 -10.101 1.00 10.00 C ATOM 756 CG ARG A 61 -4.110 3.276 -11.585 1.00 10.00 C ATOM 757 CD ARG A 61 -4.758 2.165 -12.397 1.00 10.00 C ATOM 758 NE ARG A 61 -4.461 2.275 -13.824 1.00 10.00 N ATOM 759 CZ ARG A 61 -4.525 1.256 -14.681 1.00 10.00 C ATOM 760 NH1 ARG A 61 -4.901 0.049 -14.269 1.00 10.00 N ATOM 761 NH2 ARG A 61 -4.213 1.443 -15.955 1.00 10.00 N ATOM 0 H ARG A 61 -3.676 3.140 -7.339 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.620 4.454 -9.770 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -3.612 1.999 -9.945 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -5.152 2.819 -9.775 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -4.640 4.213 -11.758 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -3.083 3.424 -11.920 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.411 1.199 -12.029 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -5.838 2.193 -12.250 1.00 10.00 H new ATOM 0 HE ARG A 61 -4.188 3.188 -14.187 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -5.143 -0.103 -13.290 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -4.947 -0.725 -14.932 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -3.924 2.366 -16.279 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -4.262 0.664 -16.612 1.00 10.00 H new ATOM 775 N PHE A 62 -4.268 6.283 -9.513 1.00 10.00 N ATOM 776 CA PHE A 62 -5.149 7.422 -9.292 1.00 10.00 C ATOM 777 C PHE A 62 -5.678 7.937 -10.623 1.00 10.00 C ATOM 778 O PHE A 62 -4.890 8.239 -11.525 1.00 10.00 O ATOM 779 CB PHE A 62 -4.410 8.542 -8.543 1.00 10.00 C ATOM 780 CG PHE A 62 -5.069 9.890 -8.655 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.249 10.160 -7.981 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.505 10.885 -9.437 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.853 11.397 -8.088 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.104 12.123 -9.546 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.280 12.380 -8.872 1.00 10.00 C ATOM 0 H PHE A 62 -3.511 6.460 -10.173 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.989 7.097 -8.679 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.334 8.272 -7.490 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.393 8.613 -8.928 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.701 9.396 -7.366 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.585 10.689 -9.968 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.773 11.596 -7.559 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.653 12.890 -10.158 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.752 13.348 -8.957 1.00 10.00 H new ATOM 795 N ASP A 63 -7.008 7.998 -10.742 1.00 10.00 N ATOM 796 CA ASP A 63 -7.692 8.478 -11.955 1.00 10.00 C ATOM 797 C ASP A 63 -7.555 7.482 -13.107 1.00 10.00 C ATOM 798 O ASP A 63 -8.532 7.155 -13.780 1.00 10.00 O ATOM 799 CB ASP A 63 -7.163 9.856 -12.380 1.00 10.00 C ATOM 800 CG ASP A 63 -7.908 10.429 -13.571 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.935 11.109 -13.364 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.466 10.210 -14.717 1.00 10.00 O ATOM 0 H ASP A 63 -7.646 7.715 -9.998 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.750 8.572 -11.712 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.244 10.546 -11.540 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.104 9.774 -12.625 1.00 10.00 H new ATOM 807 N GLY A 64 -6.342 6.994 -13.317 1.00 10.00 N ATOM 808 CA GLY A 64 -6.083 6.042 -14.373 1.00 10.00 C ATOM 809 C GLY A 64 -4.604 5.760 -14.520 1.00 10.00 C ATOM 810 O GLY A 64 -4.210 4.724 -15.050 1.00 10.00 O ATOM 0 H GLY A 64 -5.522 7.246 -12.765 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.612 5.112 -14.163 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.476 6.426 -15.314 1.00 10.00 H new ATOM 814 N GLN A 65 -3.783 6.675 -14.027 1.00 10.00 N ATOM 815 CA GLN A 65 -2.338 6.528 -14.114 1.00 10.00 C ATOM 816 C GLN A 65 -1.751 6.145 -12.755 1.00 10.00 C ATOM 817 O GLN A 65 -2.353 6.424 -11.713 1.00 10.00 O ATOM 818 CB GLN A 65 -1.716 7.830 -14.623 1.00 10.00 C ATOM 819 CG GLN A 65 -2.094 8.155 -16.061 1.00 10.00 C ATOM 820 CD GLN A 65 -1.447 7.213 -17.058 1.00 10.00 C ATOM 821 OE1 GLN A 65 -1.997 6.160 -17.388 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.279 7.588 -17.551 1.00 10.00 N ATOM 0 H GLN A 65 -4.093 7.528 -13.562 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.107 5.728 -14.817 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.029 8.651 -13.978 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.631 7.761 -14.547 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.177 8.105 -16.169 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -1.798 9.179 -16.289 1.00 10.00 H new ATOM 0 HE21 GLN A 65 0.142 8.467 -17.252 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.201 6.998 -18.231 1.00 10.00 H new ATOM 831 N PRO A 66 -0.587 5.471 -12.747 1.00 10.00 N ATOM 832 CA PRO A 66 0.081 5.050 -11.510 1.00 10.00 C ATOM 833 C PRO A 66 0.636 6.231 -10.716 1.00 10.00 C ATOM 834 O PRO A 66 0.967 7.276 -11.279 1.00 10.00 O ATOM 835 CB PRO A 66 1.229 4.150 -11.994 1.00 10.00 C ATOM 836 CG PRO A 66 0.942 3.869 -13.429 1.00 10.00 C ATOM 837 CD PRO A 66 0.169 5.047 -13.935 1.00 10.00 C ATOM 0 HA PRO A 66 -0.612 4.548 -10.835 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.192 4.647 -11.877 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.274 3.227 -11.416 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.866 3.737 -13.993 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.367 2.949 -13.539 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.826 5.836 -14.300 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.491 4.775 -14.759 1.00 10.00 H new ATOM 845 N ILE A 67 0.743 6.051 -9.408 1.00 10.00 N ATOM 846 CA ILE A 67 1.255 7.091 -8.526 1.00 10.00 C ATOM 847 C ILE A 67 2.743 6.886 -8.253 1.00 10.00 C ATOM 848 O ILE A 67 3.200 5.753 -8.086 1.00 10.00 O ATOM 849 CB ILE A 67 0.489 7.106 -7.184 1.00 10.00 C ATOM 850 CG1 ILE A 67 -1.014 7.274 -7.429 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.009 8.215 -6.281 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.839 7.318 -6.161 1.00 10.00 C ATOM 0 H ILE A 67 0.480 5.189 -8.931 1.00 10.00 H new ATOM 0 HA ILE A 67 1.110 8.047 -9.029 1.00 10.00 H new ATOM 0 HB ILE A 67 0.654 6.152 -6.683 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.180 8.193 -7.992 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.365 6.451 -8.051 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.456 8.208 -5.341 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.068 8.054 -6.080 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.875 9.178 -6.774 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.892 7.439 -6.416 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.704 6.389 -5.607 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.516 8.158 -5.546 1.00 10.00 H new ATOM 864 N ASN A 68 3.491 7.981 -8.224 1.00 10.00 N ATOM 865 CA ASN A 68 4.924 7.921 -7.965 1.00 10.00 C ATOM 866 C ASN A 68 5.226 8.370 -6.542 1.00 10.00 C ATOM 867 O ASN A 68 4.393 8.993 -5.889 1.00 10.00 O ATOM 868 CB ASN A 68 5.694 8.795 -8.956 1.00 10.00 C ATOM 869 CG ASN A 68 5.972 8.083 -10.262 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.993 7.408 -10.410 1.00 10.00 O ATOM 871 ND2 ASN A 68 5.073 8.230 -11.222 1.00 10.00 N ATOM 0 H ASN A 68 3.129 8.922 -8.377 1.00 10.00 H new ATOM 0 HA ASN A 68 5.245 6.887 -8.089 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.124 9.702 -9.155 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.638 9.104 -8.506 1.00 10.00 H new ATOM 0 HD21 ASN A 68 5.212 7.776 -12.125 1.00 10.00 H new ATOM 0 HD22 ASN A 68 4.241 8.797 -11.059 1.00 10.00 H new ATOM 878 N GLU A 69 6.427 8.067 -6.073 1.00 10.00 N ATOM 879 CA GLU A 69 6.836 8.437 -4.721 1.00 10.00 C ATOM 880 C GLU A 69 7.022 9.945 -4.589 1.00 10.00 C ATOM 881 O GLU A 69 6.848 10.507 -3.511 1.00 10.00 O ATOM 882 CB GLU A 69 8.130 7.720 -4.347 1.00 10.00 C ATOM 883 CG GLU A 69 7.993 6.210 -4.306 1.00 10.00 C ATOM 884 CD GLU A 69 9.322 5.518 -4.124 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.729 5.299 -2.965 1.00 10.00 O ATOM 886 OE2 GLU A 69 9.969 5.197 -5.140 1.00 10.00 O ATOM 0 H GLU A 69 7.137 7.566 -6.606 1.00 10.00 H new ATOM 0 HA GLU A 69 6.043 8.132 -4.038 1.00 10.00 H new ATOM 0 HB2 GLU A 69 8.905 7.987 -5.065 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.463 8.074 -3.371 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.326 5.930 -3.491 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.530 5.864 -5.230 1.00 10.00 H new ATOM 893 N THR A 70 7.363 10.595 -5.689 1.00 10.00 N ATOM 894 CA THR A 70 7.571 12.035 -5.691 1.00 10.00 C ATOM 895 C THR A 70 6.276 12.787 -5.999 1.00 10.00 C ATOM 896 O THR A 70 6.279 14.004 -6.188 1.00 10.00 O ATOM 897 CB THR A 70 8.644 12.417 -6.722 1.00 10.00 C ATOM 898 OG1 THR A 70 9.430 11.260 -7.048 1.00 10.00 O ATOM 899 CG2 THR A 70 9.547 13.511 -6.178 1.00 10.00 C ATOM 0 H THR A 70 7.502 10.148 -6.595 1.00 10.00 H new ATOM 0 HA THR A 70 7.905 12.320 -4.693 1.00 10.00 H new ATOM 0 HB THR A 70 8.149 12.790 -7.618 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.113 11.504 -7.707 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.299 13.766 -6.924 1.00 10.00 H new ATOM 0 HG22 THR A 70 8.951 14.394 -5.947 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.040 13.159 -5.272 1.00 10.00 H new ATOM 907 N ASP A 71 5.168 12.058 -6.038 1.00 10.00 N ATOM 908 CA ASP A 71 3.869 12.656 -6.329 1.00 10.00 C ATOM 909 C ASP A 71 3.275 13.316 -5.092 1.00 10.00 C ATOM 910 O ASP A 71 3.631 12.981 -3.960 1.00 10.00 O ATOM 911 CB ASP A 71 2.892 11.606 -6.864 1.00 10.00 C ATOM 912 CG ASP A 71 2.789 11.623 -8.373 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.657 12.721 -8.951 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.838 10.534 -8.987 1.00 10.00 O ATOM 0 H ASP A 71 5.142 11.052 -5.872 1.00 10.00 H new ATOM 0 HA ASP A 71 4.028 13.418 -7.092 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.212 10.617 -6.536 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.906 11.780 -6.434 1.00 10.00 H new ATOM 919 N THR A 72 2.370 14.253 -5.324 1.00 10.00 N ATOM 920 CA THR A 72 1.700 14.975 -4.254 1.00 10.00 C ATOM 921 C THR A 72 0.272 15.302 -4.679 1.00 10.00 C ATOM 922 O THR A 72 0.019 15.491 -5.868 1.00 10.00 O ATOM 923 CB THR A 72 2.439 16.287 -3.913 1.00 10.00 C ATOM 924 OG1 THR A 72 3.037 16.832 -5.093 1.00 10.00 O ATOM 925 CG2 THR A 72 3.514 16.059 -2.864 1.00 10.00 C ATOM 0 H THR A 72 2.079 14.535 -6.260 1.00 10.00 H new ATOM 0 HA THR A 72 1.696 14.341 -3.368 1.00 10.00 H new ATOM 0 HB THR A 72 1.707 16.987 -3.511 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.502 17.665 -4.869 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.016 17.002 -2.646 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.057 15.672 -1.953 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.242 15.339 -3.239 1.00 10.00 H new ATOM 933 N PRO A 73 -0.680 15.376 -3.732 1.00 10.00 N ATOM 934 CA PRO A 73 -2.080 15.688 -4.046 1.00 10.00 C ATOM 935 C PRO A 73 -2.217 17.015 -4.788 1.00 10.00 C ATOM 936 O PRO A 73 -2.994 17.135 -5.736 1.00 10.00 O ATOM 937 CB PRO A 73 -2.752 15.774 -2.672 1.00 10.00 C ATOM 938 CG PRO A 73 -1.873 14.993 -1.761 1.00 10.00 C ATOM 939 CD PRO A 73 -0.476 15.160 -2.286 1.00 10.00 C ATOM 0 HA PRO A 73 -2.526 14.940 -4.701 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.842 16.809 -2.341 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.760 15.359 -2.699 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.951 15.358 -0.737 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.161 13.942 -1.748 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.030 16.006 -1.820 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.134 14.278 -2.093 1.00 10.00 H new ATOM 947 N ALA A 74 -1.439 18.002 -4.362 1.00 10.00 N ATOM 948 CA ALA A 74 -1.463 19.324 -4.976 1.00 10.00 C ATOM 949 C ALA A 74 -0.925 19.290 -6.404 1.00 10.00 C ATOM 950 O ALA A 74 -1.403 20.015 -7.272 1.00 10.00 O ATOM 951 CB ALA A 74 -0.663 20.306 -4.134 1.00 10.00 C ATOM 0 H ALA A 74 -0.780 17.911 -3.589 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.501 19.653 -5.021 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.687 21.290 -4.602 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.097 20.367 -3.136 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.370 19.965 -4.060 1.00 10.00 H new ATOM 957 N GLN A 75 0.057 18.430 -6.648 1.00 10.00 N ATOM 958 CA GLN A 75 0.660 18.312 -7.972 1.00 10.00 C ATOM 959 C GLN A 75 -0.168 17.390 -8.867 1.00 10.00 C ATOM 960 O GLN A 75 0.053 17.316 -10.076 1.00 10.00 O ATOM 961 CB GLN A 75 2.094 17.789 -7.856 1.00 10.00 C ATOM 962 CG GLN A 75 2.945 18.021 -9.097 1.00 10.00 C ATOM 963 CD GLN A 75 3.101 19.491 -9.439 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.082 20.352 -8.562 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.249 19.787 -10.717 1.00 10.00 N ATOM 0 H GLN A 75 0.453 17.804 -5.947 1.00 10.00 H new ATOM 0 HA GLN A 75 0.681 19.302 -8.427 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.576 18.268 -7.004 1.00 10.00 H new ATOM 0 HB3 GLN A 75 2.063 16.720 -7.645 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.931 17.582 -8.943 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.494 17.502 -9.943 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.260 19.043 -11.415 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.353 20.760 -11.007 1.00 10.00 H new ATOM 974 N LEU A 76 -1.110 16.677 -8.271 1.00 10.00 N ATOM 975 CA LEU A 76 -1.968 15.775 -9.024 1.00 10.00 C ATOM 976 C LEU A 76 -3.365 16.359 -9.168 1.00 10.00 C ATOM 977 O LEU A 76 -4.270 15.696 -9.672 1.00 10.00 O ATOM 978 CB LEU A 76 -2.040 14.400 -8.350 1.00 10.00 C ATOM 979 CG LEU A 76 -0.859 13.466 -8.632 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.075 12.119 -7.966 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.661 13.290 -10.130 1.00 10.00 C ATOM 0 H LEU A 76 -1.300 16.705 -7.269 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.535 15.652 -10.017 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.116 14.546 -7.273 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.957 13.905 -8.670 1.00 10.00 H new ATOM 0 HG LEU A 76 0.041 13.918 -8.216 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.226 11.468 -8.177 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.168 12.256 -6.889 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.986 11.664 -8.353 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.182 12.623 -10.310 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.562 12.861 -10.568 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.461 14.259 -10.587 1.00 10.00 H new ATOM 993 N GLU A 77 -3.523 17.606 -8.715 1.00 10.00 N ATOM 994 CA GLU A 77 -4.801 18.314 -8.786 1.00 10.00 C ATOM 995 C GLU A 77 -5.905 17.527 -8.079 1.00 10.00 C ATOM 996 O GLU A 77 -7.057 17.524 -8.512 1.00 10.00 O ATOM 997 CB GLU A 77 -5.180 18.572 -10.247 1.00 10.00 C ATOM 998 CG GLU A 77 -4.145 19.384 -11.014 1.00 10.00 C ATOM 999 CD GLU A 77 -4.281 20.876 -10.783 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -3.772 21.377 -9.760 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.906 21.556 -11.625 1.00 10.00 O ATOM 0 H GLU A 77 -2.771 18.150 -8.291 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.691 19.271 -8.275 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -5.324 17.616 -10.750 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -6.135 19.096 -10.278 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.146 19.064 -10.717 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.243 19.175 -12.079 1.00 10.00 H new ATOM 1008 N MET A 78 -5.543 16.876 -6.983 1.00 10.00 N ATOM 1009 CA MET A 78 -6.488 16.076 -6.214 1.00 10.00 C ATOM 1010 C MET A 78 -7.309 16.960 -5.288 1.00 10.00 C ATOM 1011 O MET A 78 -6.841 18.006 -4.832 1.00 10.00 O ATOM 1012 CB MET A 78 -5.753 15.016 -5.392 1.00 10.00 C ATOM 1013 CG MET A 78 -4.903 14.077 -6.229 1.00 10.00 C ATOM 1014 SD MET A 78 -3.992 12.880 -5.235 1.00 10.00 S ATOM 1015 CE MET A 78 -5.330 11.861 -4.625 1.00 10.00 C ATOM 0 H MET A 78 -4.596 16.886 -6.604 1.00 10.00 H new ATOM 0 HA MET A 78 -7.157 15.579 -6.917 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.116 15.513 -4.660 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.484 14.431 -4.834 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.544 13.545 -6.932 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.198 14.662 -6.820 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.218 11.719 -3.550 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.282 12.351 -4.829 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.306 10.892 -5.124 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.528 16.533 -5.011 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.409 17.285 -4.138 1.00 10.00 C ATOM 1027 C GLU A 79 -9.918 16.407 -3.006 1.00 10.00 C ATOM 1028 O GLU A 79 -9.540 15.239 -2.891 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.588 17.866 -4.922 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.570 19.384 -4.995 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.302 20.034 -3.652 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.990 19.695 -2.664 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.395 20.885 -3.573 1.00 10.00 O ATOM 0 H GLU A 79 -8.929 15.670 -5.378 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.836 18.109 -3.713 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.578 17.460 -5.934 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.519 17.542 -4.458 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.806 19.700 -5.705 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.527 19.736 -5.379 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.770 16.979 -2.168 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.333 16.260 -1.035 1.00 10.00 C ATOM 1042 C ASP A 80 -12.236 15.132 -1.516 1.00 10.00 C ATOM 1043 O ASP A 80 -12.956 15.287 -2.506 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.124 17.211 -0.133 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.178 16.736 1.303 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.192 16.951 2.041 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.201 16.146 1.700 1.00 10.00 O ATOM 0 H ASP A 80 -11.088 17.945 -2.252 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.511 15.834 -0.460 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.670 18.201 -0.168 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.139 17.312 -0.518 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.157 13.997 -0.828 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.959 12.809 -1.130 1.00 10.00 C ATOM 1054 C GLU A 81 -12.472 12.086 -2.385 1.00 10.00 C ATOM 1055 O GLU A 81 -13.199 11.271 -2.950 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.445 13.159 -1.274 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.079 13.680 0.002 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.557 13.371 0.074 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.360 14.144 -0.483 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.918 12.342 0.686 1.00 10.00 O ATOM 0 H GLU A 81 -11.528 13.872 -0.035 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.836 12.133 -0.284 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.558 13.909 -2.057 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.987 12.272 -1.602 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.575 13.239 0.862 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.932 14.758 0.065 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.242 12.362 -2.809 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.687 11.707 -3.992 1.00 10.00 C ATOM 1069 C ASP A 82 -10.450 10.228 -3.705 1.00 10.00 C ATOM 1070 O ASP A 82 -10.170 9.856 -2.567 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.391 12.379 -4.439 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.455 12.820 -5.887 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.727 11.965 -6.761 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.250 14.024 -6.156 1.00 10.00 O ATOM 0 H ASP A 82 -10.615 13.028 -2.357 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.407 11.801 -4.805 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.192 13.243 -3.805 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.559 11.688 -4.306 1.00 10.00 H new ATOM 1079 N THR A 83 -10.551 9.393 -4.728 1.00 10.00 N ATOM 1080 CA THR A 83 -10.389 7.956 -4.551 1.00 10.00 C ATOM 1081 C THR A 83 -9.076 7.432 -5.132 1.00 10.00 C ATOM 1082 O THR A 83 -8.709 7.749 -6.262 1.00 10.00 O ATOM 1083 CB THR A 83 -11.560 7.196 -5.199 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.789 7.890 -4.944 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.654 5.773 -4.661 1.00 10.00 C ATOM 0 H THR A 83 -10.744 9.683 -5.687 1.00 10.00 H new ATOM 0 HA THR A 83 -10.374 7.781 -3.475 1.00 10.00 H new ATOM 0 HB THR A 83 -11.382 7.146 -6.273 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.532 7.404 -5.360 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.490 5.259 -5.136 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.729 5.240 -4.879 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.811 5.801 -3.583 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.382 6.631 -4.336 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.131 6.012 -4.741 1.00 10.00 C ATOM 1095 C ILE A 84 -7.286 4.494 -4.701 1.00 10.00 C ATOM 1096 O ILE A 84 -7.624 3.926 -3.659 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.964 6.434 -3.819 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.808 7.958 -3.818 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.666 5.765 -4.256 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.797 8.467 -2.811 1.00 10.00 C ATOM 0 H ILE A 84 -8.673 6.392 -3.388 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.898 6.344 -5.753 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.192 6.109 -2.804 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.511 8.284 -4.815 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.776 8.413 -3.609 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.857 6.075 -3.595 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.780 4.682 -4.207 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.431 6.059 -5.279 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.741 9.554 -2.869 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.103 8.172 -1.807 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.818 8.041 -3.031 1.00 10.00 H new ATOM 1112 N ASP A 85 -7.055 3.842 -5.834 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.189 2.392 -5.920 1.00 10.00 C ATOM 1114 C ASP A 85 -5.833 1.720 -5.736 1.00 10.00 C ATOM 1115 O ASP A 85 -4.823 2.181 -6.274 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.795 1.989 -7.268 1.00 10.00 C ATOM 1117 CG ASP A 85 -9.053 1.150 -7.121 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.977 0.046 -6.549 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -10.129 1.588 -7.584 1.00 10.00 O ATOM 0 H ASP A 85 -6.774 4.293 -6.705 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.855 2.062 -5.123 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -8.028 2.887 -7.840 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -7.056 1.429 -7.841 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.810 0.637 -4.969 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.570 -0.089 -4.714 1.00 10.00 C ATOM 1126 C VAL A 86 -4.657 -1.513 -5.246 1.00 10.00 C ATOM 1127 O VAL A 86 -5.461 -2.312 -4.770 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.235 -0.138 -3.207 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.851 -0.734 -2.986 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.326 1.247 -2.591 1.00 10.00 C ATOM 0 H VAL A 86 -6.633 0.242 -4.513 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.777 0.450 -5.233 1.00 10.00 H new ATOM 0 HB VAL A 86 -4.967 -0.778 -2.715 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.632 -0.760 -1.918 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.823 -1.747 -3.387 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.106 -0.122 -3.494 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.086 1.189 -1.529 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.620 1.913 -3.087 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.337 1.634 -2.714 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.831 -1.822 -6.231 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.813 -3.147 -6.833 1.00 10.00 C ATOM 1142 C PHE A 87 -2.571 -3.913 -6.393 1.00 10.00 C ATOM 1143 O PHE A 87 -1.775 -3.417 -5.592 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.840 -3.039 -8.360 1.00 10.00 C ATOM 1145 CG PHE A 87 -5.010 -2.265 -8.893 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -6.235 -2.883 -9.091 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.887 -0.919 -9.195 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.312 -2.173 -9.584 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.960 -0.205 -9.687 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.175 -0.833 -9.880 1.00 10.00 C ATOM 0 H PHE A 87 -3.159 -1.169 -6.634 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.699 -3.687 -6.500 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.919 -2.564 -8.697 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.856 -4.042 -8.785 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -6.348 -3.931 -8.857 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.940 -0.422 -9.044 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -8.260 -2.666 -9.738 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.850 0.844 -9.921 1.00 10.00 H new ATOM 0 HZ PHE A 87 -8.017 -0.275 -10.262 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.402 -5.118 -6.924 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.252 -5.946 -6.586 1.00 10.00 C ATOM 1162 C GLN A 88 -0.491 -6.346 -7.843 1.00 10.00 C ATOM 1163 O GLN A 88 -1.070 -6.450 -8.925 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.689 -7.205 -5.834 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.167 -6.942 -4.416 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.957 -8.135 -3.505 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.988 -8.881 -3.650 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -2.867 -8.332 -2.564 1.00 10.00 N ATOM 0 H GLN A 88 -3.047 -5.543 -7.590 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.598 -5.358 -5.942 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.490 -7.690 -6.392 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.854 -7.905 -5.801 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.636 -6.081 -4.010 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.226 -6.684 -4.434 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.656 -7.692 -2.475 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -2.779 -9.124 -1.927 1.00 10.00 H new ATOM 1177 N GLN A 89 0.805 -6.560 -7.687 1.00 10.00 N ATOM 1178 CA GLN A 89 1.658 -6.963 -8.794 1.00 10.00 C ATOM 1179 C GLN A 89 1.519 -8.466 -9.033 1.00 10.00 C ATOM 1180 O GLN A 89 1.188 -9.218 -8.114 1.00 10.00 O ATOM 1181 CB GLN A 89 3.116 -6.602 -8.486 1.00 10.00 C ATOM 1182 CG GLN A 89 4.058 -6.737 -9.672 1.00 10.00 C ATOM 1183 CD GLN A 89 3.728 -5.772 -10.797 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.209 -4.683 -10.566 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.032 -6.168 -12.023 1.00 10.00 N ATOM 0 H GLN A 89 1.293 -6.460 -6.797 1.00 10.00 H new ATOM 0 HA GLN A 89 1.351 -6.435 -9.697 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.155 -5.576 -8.121 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.473 -7.241 -7.678 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.081 -6.564 -9.339 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.014 -7.758 -10.051 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.462 -7.081 -12.172 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.836 -5.561 -12.819 1.00 10.00 H new ATOM 1194 N GLN A 90 1.751 -8.890 -10.270 1.00 10.00 N ATOM 1195 CA GLN A 90 1.659 -10.299 -10.633 1.00 10.00 C ATOM 1196 C GLN A 90 2.779 -11.100 -9.972 1.00 10.00 C ATOM 1197 O GLN A 90 3.909 -10.621 -9.854 1.00 10.00 O ATOM 1198 CB GLN A 90 1.722 -10.465 -12.156 1.00 10.00 C ATOM 1199 CG GLN A 90 0.492 -9.951 -12.896 1.00 10.00 C ATOM 1200 CD GLN A 90 0.418 -8.435 -12.939 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.438 -7.747 -12.907 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.789 -7.905 -13.016 1.00 10.00 N ATOM 0 H GLN A 90 2.006 -8.274 -11.042 1.00 10.00 H new ATOM 0 HA GLN A 90 0.702 -10.680 -10.277 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.602 -9.941 -12.530 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.856 -11.521 -12.389 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.499 -10.338 -13.915 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.405 -10.340 -12.414 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.611 -8.509 -13.040 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -0.900 -6.892 -13.051 1.00 10.00 H new ATOM 1211 N THR A 91 2.461 -12.320 -9.558 1.00 10.00 N ATOM 1212 CA THR A 91 3.428 -13.188 -8.897 1.00 10.00 C ATOM 1213 C THR A 91 4.172 -14.067 -9.900 1.00 10.00 C ATOM 1214 O THR A 91 5.120 -14.771 -9.545 1.00 10.00 O ATOM 1215 CB THR A 91 2.726 -14.089 -7.869 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.356 -13.684 -7.722 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.430 -14.022 -6.525 1.00 10.00 C ATOM 0 H THR A 91 1.535 -12.733 -9.669 1.00 10.00 H new ATOM 0 HA THR A 91 4.149 -12.543 -8.395 1.00 10.00 H new ATOM 0 HB THR A 91 2.764 -15.118 -8.228 1.00 10.00 H new ATOM 0 HG1 THR A 91 0.912 -14.262 -7.067 1.00 10.00 H new ATOM 0 HG21 THR A 91 2.916 -14.667 -5.813 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.462 -14.355 -6.638 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.418 -12.995 -6.159 1.00 10.00 H new ATOM 1225 N GLY A 92 3.733 -14.034 -11.145 1.00 10.00 N ATOM 1226 CA GLY A 92 4.356 -14.830 -12.177 1.00 10.00 C ATOM 1227 C GLY A 92 3.660 -14.653 -13.505 1.00 10.00 C ATOM 1228 O GLY A 92 2.520 -14.142 -13.509 1.00 10.00 O ATOM 0 H GLY A 92 2.949 -13.464 -11.462 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.404 -14.547 -12.273 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.334 -15.881 -11.890 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.655 -2.641 5.505 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.753 -1.484 5.344 1.00 10.00 C ATOM 1235 C ASN B 357 -17.563 -1.619 6.280 1.00 10.00 C ATOM 1236 O ASN B 357 -17.727 -1.839 7.481 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.501 -0.174 5.632 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.595 1.051 5.585 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.609 1.089 4.852 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.929 2.067 6.369 1.00 10.00 N ATOM 0 HA ASN B 357 -18.397 -1.462 4.314 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.304 -0.053 4.905 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.967 -0.237 6.615 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.361 2.914 6.376 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.754 2.002 6.965 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.368 -1.497 5.727 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.151 -1.597 6.513 1.00 10.00 C ATOM 1249 C ASN B 358 -14.391 -0.286 6.409 1.00 10.00 C ATOM 1250 O ASN B 358 -14.108 0.192 5.316 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.297 -2.757 5.987 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.921 -2.810 6.614 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.752 -2.528 7.797 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.927 -3.171 5.819 1.00 10.00 N ATOM 0 H ASN B 358 -16.215 -1.328 4.733 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.392 -1.790 7.559 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.814 -3.697 6.178 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -14.194 -2.664 4.906 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.976 -3.223 6.183 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -12.112 -3.397 4.842 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.068 0.296 7.550 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.361 1.561 7.558 1.00 10.00 C ATOM 1263 C ARG B 359 -12.057 1.479 8.335 1.00 10.00 C ATOM 1264 O ARG B 359 -12.007 0.957 9.452 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.253 2.675 8.113 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.812 2.407 9.504 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.616 3.597 10.006 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.267 3.350 11.291 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.189 4.160 11.817 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.552 5.258 11.165 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -17.748 3.880 12.989 1.00 10.00 N ATOM 0 H ARG B 359 -14.282 -0.083 8.473 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.108 1.798 6.525 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.680 3.602 8.139 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.084 2.833 7.426 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.445 1.520 9.481 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.995 2.198 10.194 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.956 4.460 10.100 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.373 3.854 9.266 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.003 2.515 11.814 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.127 5.481 10.265 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -18.256 5.879 11.564 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -17.474 3.039 13.497 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -18.451 4.506 13.381 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.995 1.956 7.716 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.684 1.998 8.338 1.00 10.00 C ATOM 1287 C ASP B 360 -9.237 3.447 8.392 1.00 10.00 C ATOM 1288 O ASP B 360 -9.377 4.170 7.406 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.660 1.136 7.597 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.534 0.711 8.516 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.465 1.351 8.499 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.725 -0.267 9.276 1.00 10.00 O ATOM 0 H ASP B 360 -11.016 2.326 6.766 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.754 1.582 9.343 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.152 0.253 7.188 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.253 1.694 6.754 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.708 3.919 9.526 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.311 5.302 9.673 1.00 10.00 C ATOM 1299 C PRO B 361 -6.803 5.502 9.733 1.00 10.00 C ATOM 1300 O PRO B 361 -6.090 4.884 10.531 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.921 5.613 11.034 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.840 4.316 11.803 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.558 3.211 10.800 1.00 10.00 C ATOM 0 HA PRO B 361 -8.628 5.926 8.838 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.372 6.407 11.540 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.953 5.950 10.936 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.051 4.363 12.554 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.773 4.125 12.333 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.558 2.794 10.921 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.262 2.384 10.894 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.339 6.403 8.890 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.930 6.719 8.800 1.00 10.00 C ATOM 1313 C ILE B 362 -4.693 8.171 9.131 1.00 10.00 C ATOM 1314 O ILE B 362 -5.371 9.067 8.625 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.357 6.439 7.398 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.595 4.984 7.017 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.867 6.774 7.359 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.732 4.012 7.779 1.00 10.00 C ATOM 0 H ILE B 362 -6.928 6.935 8.250 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.422 6.076 9.518 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.868 7.073 6.673 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -5.643 4.739 7.189 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -4.410 4.862 5.950 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.475 6.572 6.362 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.725 7.828 7.598 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.337 6.162 8.089 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -3.956 2.996 7.455 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -2.681 4.231 7.587 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -3.933 4.106 8.846 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.726 8.389 9.985 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.360 9.721 10.391 1.00 10.00 C ATOM 1332 C VAL B 363 -1.933 9.973 9.956 1.00 10.00 C ATOM 1333 O VAL B 363 -1.059 9.118 10.125 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.510 9.928 11.914 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.308 11.392 12.270 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.878 9.449 12.383 1.00 10.00 C ATOM 0 H VAL B 363 -3.172 7.650 10.417 1.00 10.00 H new ATOM 0 HA VAL B 363 -4.035 10.433 9.916 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.746 9.339 12.422 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.417 11.523 13.347 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.310 11.706 11.965 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -4.053 11.998 11.754 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.968 9.602 13.458 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.657 10.013 11.870 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.990 8.389 12.157 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.719 11.129 9.370 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.414 11.501 8.864 1.00 10.00 C ATOM 1348 C ILE B 364 0.151 12.639 9.689 1.00 10.00 C ATOM 1349 O ILE B 364 -0.562 13.583 10.049 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.473 11.934 7.360 1.00 10.00 C ATOM 1351 CG1 ILE B 364 -0.073 10.794 6.408 1.00 10.00 C ATOM 1352 CG2 ILE B 364 0.408 13.153 7.075 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.944 9.820 6.962 1.00 10.00 C ATOM 0 H ILE B 364 -2.440 11.837 9.230 1.00 10.00 H new ATOM 0 HA ILE B 364 0.229 10.624 8.939 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.514 12.198 7.175 1.00 10.00 H new ATOM 0 HG12 ILE B 364 -0.971 10.240 6.133 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.326 11.230 5.492 1.00 10.00 H new ATOM 0 HG21 ILE B 364 0.335 13.416 6.020 1.00 10.00 H new ATOM 0 HG22 ILE B 364 0.073 13.994 7.683 1.00 10.00 H new ATOM 0 HG23 ILE B 364 1.444 12.918 7.319 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.159 9.055 6.216 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.862 10.354 7.210 1.00 10.00 H new ATOM 0 HD13 ILE B 364 0.545 9.349 7.860 1.00 10.00 H new HETATM 1365 N SEP B 365 1.423 12.524 10.008 1.00 10.00 N HETATM 1366 CA SEP B 365 2.104 13.547 10.758 1.00 10.00 C HETATM 1367 CB SEP B 365 2.850 12.932 11.938 1.00 10.00 C HETATM 1368 OG SEP B 365 2.156 11.786 12.405 1.00 10.00 O HETATM 1369 C SEP B 365 3.053 14.190 9.774 1.00 10.00 C HETATM 1370 O SEP B 365 3.829 13.518 9.101 1.00 10.00 O HETATM 1371 P SEP B 365 2.952 10.571 13.055 1.00 10.00 P HETATM 1372 O1P SEP B 365 2.122 9.395 13.344 1.00 10.00 O HETATM 1373 O2P SEP B 365 3.833 10.955 14.165 1.00 10.00 O HETATM 1374 O3P SEP B 365 3.937 10.078 11.901 1.00 10.00 O HETATM 0 HB3 SEP B 365 3.861 12.658 11.637 1.00 10.00 H new HETATM 0 HB2 SEP B 365 2.944 13.663 12.741 1.00 10.00 H new HETATM 0 HA SEP B 365 1.418 14.280 11.183 1.00 10.00 H new HETATM 0 H SEP B 365 1.487 11.549 10.300 1.00 10.00 H new ATOM 1379 N ASP B 366 2.959 15.491 9.673 1.00 10.00 N ATOM 1380 CA ASP B 366 3.730 16.238 8.703 1.00 10.00 C ATOM 1381 C ASP B 366 4.648 17.243 9.368 1.00 10.00 C ATOM 1382 O ASP B 366 4.243 17.927 10.308 1.00 10.00 O ATOM 1383 CB ASP B 366 2.758 16.929 7.759 1.00 10.00 C ATOM 1384 CG ASP B 366 3.367 17.251 6.425 1.00 10.00 C ATOM 1385 OD1 ASP B 366 3.574 18.447 6.155 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.604 16.308 5.636 1.00 10.00 O ATOM 0 H ASP B 366 2.349 16.064 10.257 1.00 10.00 H new ATOM 0 HA ASP B 366 4.373 15.555 8.148 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.888 16.290 7.610 1.00 10.00 H new ATOM 0 HB3 ASP B 366 2.402 17.849 8.222 1.00 10.00 H new HETATM 1391 N SEP B 367 5.896 17.254 8.923 1.00 10.00 N HETATM 1392 CA SEP B 367 6.915 18.158 9.433 1.00 10.00 C HETATM 1393 CB SEP B 367 8.112 18.120 8.493 1.00 10.00 C HETATM 1394 OG SEP B 367 8.591 16.780 8.331 1.00 10.00 O HETATM 1395 C SEP B 367 6.366 19.579 9.595 1.00 10.00 C HETATM 1396 O SEP B 367 6.017 20.238 8.614 1.00 10.00 O HETATM 1397 P SEP B 367 8.003 15.816 7.193 1.00 10.00 P HETATM 1398 O1P SEP B 367 7.201 16.503 6.170 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.992 14.878 6.640 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.952 14.875 7.947 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.831 18.530 7.523 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.909 18.751 8.887 1.00 10.00 H new HETATM 0 HA SEP B 367 7.229 17.834 10.425 1.00 10.00 H new HETATM 0 H SEP B 367 6.063 16.729 8.065 1.00 10.00 H new ATOM 1405 N PRO B 368 6.272 20.048 10.851 1.00 10.00 N ATOM 1406 CA PRO B 368 5.714 21.368 11.172 1.00 10.00 C ATOM 1407 C PRO B 368 6.513 22.533 10.604 1.00 10.00 C ATOM 1408 O PRO B 368 5.889 23.494 10.114 1.00 10.00 O ATOM 1409 CB PRO B 368 5.732 21.401 12.701 1.00 10.00 C ATOM 1410 CG PRO B 368 6.765 20.410 13.101 1.00 10.00 C ATOM 1411 CD PRO B 368 6.731 19.337 12.057 1.00 10.00 C ATOM 0 HA PRO B 368 4.724 21.489 10.731 1.00 10.00 H new ATOM 0 HB2 PRO B 368 5.978 22.397 13.070 1.00 10.00 H new ATOM 0 HB3 PRO B 368 4.757 21.140 13.112 1.00 10.00 H new ATOM 0 HG2 PRO B 368 7.751 20.873 13.153 1.00 10.00 H new ATOM 0 HG3 PRO B 368 6.552 20.001 14.089 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.714 18.889 11.910 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.051 18.531 12.331 1.00 10.00 H new TER 1419 PRO B 368